From a9fefd7289c69a9992e1b7de65d74f5983f6db17 Mon Sep 17 00:00:00 2001 From: salva24 Date: Fri, 15 Aug 2025 12:50:46 +0200 Subject: [PATCH 01/47] all work I have done untill the midterm: tumor replicated from the nature paper including forces and diffusion modules --- .gitignore | 80 +++ CMakeLists.txt | 45 ++ README.md | 116 +++- bdm.toml | 10 + .../compare_denstity_vectors.py | 39 ++ ...eOxygen_freeOncoprotein_freeRandomRate.txt | 540 ++++++++++++++++++ ...rate_tumor_radius_and_cells_comparison.png | Bin 0 -> 226022 bytes ...rison_plots_fixed_cell_volume_adhesion.png | Bin 0 -> 342456 bytes ...ison_plots_fixed_cell_volume_repulsion.png | Bin 0 -> 236610 bytes draft_code_my_own_analysis/main_test.txt | 115 ++++ ...rate_tumor_radius_and_cells_comparison.png | Bin 0 -> 243721 bytes ...andom_rate_tumor_cell_types_comparison.png | Bin 0 -> 301464 bytes ...rate_tumor_radius_and_cells_comparison.png | Bin 0 -> 256780 bytes ...no_cart_oxygen_oncoproteine_comparison.png | Bin 0 -> 323736 bytes .../oxygen_no_force_with_consumption.png | Bin 0 -> 233463 bytes .../oxygen_no_force_without_consumption.png | Bin 0 -> 212437 bytes draft_code_my_own_analysis/plot_dif_eq.py | 420 ++++++++++++++ draft_code_my_own_analysis/plot_forces.py | 85 +++ .../plot_num_cells_nad_radius.py | 71 +++ .../plot_oncoproteine_and_oxygen_levels.py | 99 ++++ .../plot_oxygen_density.py | 72 +++ .../plot_type_of_cells.py | 95 +++ .../process_csv_files.py | 81 +++ .../read_csv_to_compare_levels.py | 99 ++++ src/cart_cell.cc | 298 ++++++++++ src/cart_cell.h | 157 +++++ src/cart_cell_draft.h | 422 ++++++++++++++ src/cart_tumor.cc | 16 + src/cart_tumor.h | 144 +++++ src/diffusion_thomas_algorithm.cc | 305 ++++++++++ src/diffusion_thomas_algorithm.h | 119 ++++ src/forces_tumor_cart.cc | 155 +++++ src/forces_tumor_cart.h | 43 ++ src/hyperparams.h | 189 ++++++ src/tumor_cell.cc | 483 ++++++++++++++++ src/tumor_cell.h | 173 ++++++ src/utils_aux.cc | 225 ++++++++ src/utils_aux.h | 124 ++++ test/test-main.cc | 21 + test/test-suite.cc | 60 ++ 40 files changed, 4900 insertions(+), 1 deletion(-) create mode 100644 CMakeLists.txt create mode 100644 bdm.toml create mode 100644 draft_code_my_own_analysis/compare_denstity_vectors.py create mode 100644 draft_code_my_own_analysis/comparison_results_freeOxygen_freeOncoprotein_freeRandomRate.txt create mode 100644 draft_code_my_own_analysis/fixed_oxygen_fixed_oncoproteine_fixed_random_rate_tumor_radius_and_cells_comparison.png create mode 100644 draft_code_my_own_analysis/force_comparison_plots_fixed_cell_volume_adhesion.png create mode 100644 draft_code_my_own_analysis/force_comparison_plots_fixed_cell_volume_repulsion.png create mode 100644 draft_code_my_own_analysis/main_test.txt create mode 100644 draft_code_my_own_analysis/no_cart_free_oxygen_fixed_oncoproteine_fixed_random_rate_tumor_radius_and_cells_comparison.png create mode 100644 draft_code_my_own_analysis/no_cart_free_oxygen_free_oncoproteine_free_random_rate_tumor_cell_types_comparison.png create mode 100644 draft_code_my_own_analysis/no_cart_free_oxygen_free_oncoproteine_free_random_rate_tumor_radius_and_cells_comparison.png create mode 100644 draft_code_my_own_analysis/no_cart_oxygen_oncoproteine_comparison.png create mode 100644 draft_code_my_own_analysis/oxygen_no_force_with_consumption.png create mode 100644 draft_code_my_own_analysis/oxygen_no_force_without_consumption.png create mode 100644 draft_code_my_own_analysis/plot_dif_eq.py create mode 100644 draft_code_my_own_analysis/plot_forces.py create mode 100644 draft_code_my_own_analysis/plot_num_cells_nad_radius.py create mode 100644 draft_code_my_own_analysis/plot_oncoproteine_and_oxygen_levels.py create mode 100644 draft_code_my_own_analysis/plot_oxygen_density.py create mode 100644 draft_code_my_own_analysis/plot_type_of_cells.py create mode 100644 draft_code_my_own_analysis/process_csv_files.py create mode 100644 draft_code_my_own_analysis/read_csv_to_compare_levels.py create mode 100644 src/cart_cell.cc create mode 100644 src/cart_cell.h create mode 100644 src/cart_cell_draft.h create mode 100644 src/cart_tumor.cc create mode 100644 src/cart_tumor.h create mode 100644 src/diffusion_thomas_algorithm.cc create mode 100644 src/diffusion_thomas_algorithm.h create mode 100644 src/forces_tumor_cart.cc create mode 100644 src/forces_tumor_cart.h create mode 100644 src/hyperparams.h create mode 100644 src/tumor_cell.cc create mode 100644 src/tumor_cell.h create mode 100644 src/utils_aux.cc create mode 100644 src/utils_aux.h create mode 100644 test/test-main.cc create mode 100644 test/test-suite.cc diff --git a/.gitignore b/.gitignore index d4fb281..28b174a 100644 --- a/.gitignore +++ b/.gitignore @@ -39,3 +39,83 @@ # debug information files *.dwo + +build/ +output/ + +**/.DS_Store + +#----------------- intellij ----------------- +.idea +cx3d-cpp.iml + +#----------------- eclipse ------------------ +.project +.cproject +.settings/ + +#----------------- VS Code ------------------ +.vscode/* + +#----------------- GNU global ------------------ +GPATH +GRTAGS +GTAGS + +#------------------- C++ -------------------- +# Compiled Object files +*.slo +*.lo +*.o +*.obj + +# Precompiled Headers +*.gch +*.pch + +# Compiled Dynamic libraries +*.so +*.dylib +*.dll +*.jnilib + +# Fortran module files +*.mod + +# Compiled Static libraries +*.lai +*.la +*.a +*.lib + +# Executables +*.exe +*.out +*.app + +#------------------- CMake -------------------- +CMakeCache.txt +CMakeFiles +CMakeScripts +Makefile +cmake_install.cmake +install_manifest.txt + +#------------------- Doxygen files -------------------- +Doxyfile +doc/html +doc/latex + +#------------------- Paraview -------------------- +*.vtu +*.vti +*.pvtu +*.pvti + + +#Debugging files +*.csv + +# Result files +*.xyz +*.dat diff --git a/CMakeLists.txt b/CMakeLists.txt new file mode 100644 index 0000000..7b83cc5 --- /dev/null +++ b/CMakeLists.txt @@ -0,0 +1,45 @@ +# ----------------------------------------------------------------------------- +# +# Copyright (C) 2021 CERN & University of Surrey for the benefit of the +# BioDynaMo collaboration. All Rights Reserved. +# +# Licensed under the Apache License, Version 2.0 (the "License"); +# you may not use this file except in compliance with the License. +# +# See the LICENSE file distributed with this work for details. +# See the NOTICE file distributed with this work for additional information +# regarding copyright ownership. +# +# ----------------------------------------------------------------------------- +cmake_minimum_required(VERSION 3.19.3) +project(cart_tumor) + +# BioDynaMo curretly uses the C++17 standard. +set(CMAKE_CXX_STANDARD 17) + +# Use BioDynaMo in this project. +find_package(BioDynaMo REQUIRED) + +# See UseBioDynaMo.cmake in your BioDynaMo build folder for details. +# Note that BioDynaMo provides gtest header/libraries in its include/lib dir. +include(${BDM_USE_FILE}) + +# Consider all files in src/ for BioDynaMo simulation. +include_directories("src") +file(GLOB_RECURSE PROJECT_HEADERS src/*.h) +file(GLOB_RECURSE PROJECT_SOURCES src/*.cc) + +bdm_add_executable(${CMAKE_PROJECT_NAME} + HEADERS ${PROJECT_HEADERS} + SOURCES ${PROJECT_SOURCES} + LIBRARIES ${BDM_REQUIRED_LIBRARIES}) + +# Consider all files in test/ for GoogleTests. +include_directories("test") +file(GLOB_RECURSE TEST_SOURCES test/*.cc) +file(GLOB_RECURSE TEST_HEADERS test/*.h) + +bdm_add_test(${CMAKE_PROJECT_NAME}-test + SOURCES ${TEST_SOURCES} + HEADERS ${TEST_HEADERS} + LIBRARIES ${BDM_REQUIRED_LIBRARIES} ${CMAKE_PROJECT_NAME}) diff --git a/README.md b/README.md index 97f937b..c000a66 100644 --- a/README.md +++ b/README.md @@ -1 +1,115 @@ -# CARTopiaX \ No newline at end of file +# CARTopiaX + +This repository provides an **agent-based simulation** of tumour-derived organoids and their interaction with **CAR T-cell therapy**. +Developed as part of Google Summer of Code 2025, the project is released under the **Apache License 2.0**. + +The simulation integrates computational modeling and biological insights to explore tumour–immune dynamics and assess treatment outcomes under various scenarios. + +--- + +## Table of Contents + +1. [Project Overview](#project-overview) +2. [Dependencies](#dependencies) +3. [Installation](#installation) +4. [Building the Simulation](#building-the-simulation) +5. [Running the Simulation](#running-the-simulation) +6. [Acknowledgments](#acknowledgments) +7. [License](#license) + +--- + +## Project Overview + +This project implements an **agent-based model** to simulate the behavior of *tumour-derived organoids* (lab-grown tumour models) and their response to **CAR T-cell therapy**. + +With this simulation, researchers can: +- Recreate in vitro conditions for tumour growth. +- Introduce CAR T-cells and analyze their effectiveness in solid tumor microenvironments. +- Explore different treatment strategies and parameter variations. +- Evaluate outcomes such as tumour reduction, elimination, or relapse risk. + +By adjusting biological and therapeutic parameters, the model enables **in silico experimentation** to complement laboratory research. + +--- + +## Dependencies + +- [BioDynaMo](https://biodynamo.org/) (tested with version 1.05.132) +- CMake ≥ 3.13 +- GCC or Clang with C++17 support +- GoogleTest (for unit testing) + +**Note:** Ensure BioDynaMo is installed and sourced before running the simulation. + +--- + +## Installation + +Clone the repository: +```bash +git clone https://github.com/compiler-research/CARTopiaX.git +cd cart_tumor +``` + +--- + +## Building the Simulation + +**Option 1:** +Use BioDynaMo’s build system: +```bash +biodynamo build +``` + +**Option 2:** +Manual build: +```bash +mkdir build && cd build +cmake .. +make -j +``` + +--- + +## Running the Simulation + +After building, run the simulation using one of the following methods: + +**Option 1:** +With BioDynaMo: +```bash +biodynamo run +``` + +**Option 2:** +Directly from the build directory: +```bash +./build/cart_tumor +``` + +--- + +## Acknowledgments + +This project builds upon the BioDynaMo simulation framework +(Copyright © 2021 CERN & University of Surrey): + +> Lukas Breitwieser, Ahmad Hesam, Jean de Montigny, Vasileios Vavourakis, Alexandros Iosif, Jack Jennings, Marcus Kaiser, Marco Manca, Alberto Di Meglio, Zaid Al-Ars, Fons Rademakers, Onur Mutlu, Roman Bauer. +> *BioDynaMo: a modular platform for high-performance agent-based simulation*. +> Bioinformatics, Volume 38, Issue 2, January 2022, Pages 453–460. +> [https://doi.org/10.1093/bioinformatics/btab649](https://doi.org/10.1093/bioinformatics/btab649) + +Some of the mathematical models and solver implementations are based on the research of +Luciana Melina Luque and collaborators, as described in: + +> Luque, L.M., Carlevaro, C.M., Rodriguez-Lomba, E. et al. +> *In silico study of heterogeneous tumour-derived organoid response to CAR T-cell therapy*. +> Scientific Reports 14, 12307 (2024). +> [https://doi.org/10.1038/s41598-024-63125-5](https://doi.org/10.1038/s41598-024-63125-5) + +--- + +## License + +This project is licensed under the Apache License 2.0. See the [LICENSE](LICENSE) file for details. \ No newline at end of file diff --git a/bdm.toml b/bdm.toml new file mode 100644 index 0000000..2db1355 --- /dev/null +++ b/bdm.toml @@ -0,0 +1,10 @@ +[visualization] +export = true +interval = 7200 + +[[visualize_agent]] +name = "TumorCell" +additional_data_members = ["diameter_","volume_", "type_"] + +[[visualize_diffusion]] +name = "oxygen" diff --git a/draft_code_my_own_analysis/compare_denstity_vectors.py b/draft_code_my_own_analysis/compare_denstity_vectors.py new file mode 100644 index 0000000..67bfcea --- /dev/null +++ b/draft_code_my_own_analysis/compare_denstity_vectors.py @@ -0,0 +1,39 @@ +# ----------------------------------------------------------------------------- +# Copyright (C) 2025 Salvador de la Torre Gonzalez +# Co-author: Luciana Melina Luque +# +# Licensed under the Apache License, Version 2.0 (the "License"); +# you may not use this file except in compliance with the License. +# You may obtain a copy of the License at +# +# http://www.apache.org/licenses/LICENSE-2.0 +# +# Unless required by applicable law or agreed to in writing, software +# distributed under the License is distributed on an "AS IS" BASIS, +# WITHOUT WARRANTIES OR CONDITIONS OF ANY KIND, either express or implied. +# See the License for the specific language governing permissions and +# limitations under the License. +# ----------------------------------------------------------------------------- + +import numpy as np + +with open('vector_densities.csv', 'r') as file: + line = file.readline().strip() + vector_theirs = np.array([float(val) for val in line.split(',')]) + +print(f"Vector length: {len(vector_theirs)}") + +with open('vector_densities_mine.csv', 'r') as file: + line = file.readline().strip() + vector_mine = np.array([float(val) for val in line.split(',')]) + +print(f"Vector length: {len(vector_mine)}") + + +if np.array_equal(vector_theirs, vector_mine): + print("The vectors are equal.") +else: + print("The vectors are different at the following positions:") + for i, (a, b) in enumerate(zip(vector_theirs, vector_mine)): + if a != b: + print(f"Index {i}: vector_theirs={a}, vector_mine={b}") \ No newline at end of file diff --git a/draft_code_my_own_analysis/comparison_results_freeOxygen_freeOncoprotein_freeRandomRate.txt b/draft_code_my_own_analysis/comparison_results_freeOxygen_freeOncoprotein_freeRandomRate.txt new file mode 100644 index 0000000..bb881c8 --- /dev/null +++ b/draft_code_my_own_analysis/comparison_results_freeOxygen_freeOncoprotein_freeRandomRate.txt @@ -0,0 +1,540 @@ + +Comparison for simulation 0: +Metric Mine Min Mine Avg Mine Max Paper Min Paper Avg Paper Max +------------------------------------------------------------------------------------------------- +Oxygen level 17.594600 22.428127 38.000000 17.423000 22.425188 26.784200 +Oncoprotein level 0.140756 0.999939 1.817520 0.102169 0.997280 1.860550 +Base transition rate 0.000318 0.000435 0.000644 0.000323 0.000436 0.000644 +Transition rate 0.000028 0.000193 0.000977 0.000018 0.000193 0.000480 +Necrosis probability 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 + +Comparison for simulation 1: +Metric Mine Min Mine Avg Mine Max Paper Min Paper Avg Paper Max +------------------------------------------------------------------------------------------------- +Oxygen level 17.348200 21.954317 26.571000 17.373200 22.231981 26.535400 +Oncoprotein level 0.140756 0.999939 1.817520 0.102169 0.997280 1.860550 +Base transition rate 0.000318 0.000435 0.000644 0.000323 0.000436 0.000644 +Transition rate 0.000028 0.000186 0.000446 0.000021 0.000190 0.000481 +Necrosis probability 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 + +Comparison for simulation 2: +Metric Mine Min Mine Avg Mine Max Paper Min Paper Avg Paper Max +------------------------------------------------------------------------------------------------- +Oxygen level 17.359800 21.953914 26.545200 17.300600 22.110227 26.369600 +Oncoprotein level 0.140756 0.999939 1.817520 0.102169 0.997293 1.860550 +Base transition rate 0.000318 0.000435 0.000644 0.000323 0.000436 0.000644 +Transition rate 0.000028 0.000186 0.000445 0.000021 0.000188 0.000480 +Necrosis probability 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 + +Comparison for simulation 3: +Metric Mine Min Mine Avg Mine Max Paper Min Paper Avg Paper Max +------------------------------------------------------------------------------------------------- +Oxygen level 17.352600 21.957852 27.394400 17.239900 22.049440 27.495300 +Oncoprotein level 0.140756 1.000765 1.817520 0.102169 0.998553 1.860550 +Base transition rate 0.000318 0.000435 0.000644 0.000323 0.000436 0.000644 +Transition rate 0.000028 0.000186 0.000459 0.000021 0.000188 0.000536 +Necrosis probability 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 + +Comparison for simulation 4: +Metric Mine Min Mine Avg Mine Max Paper Min Paper Avg Paper Max +------------------------------------------------------------------------------------------------- +Oxygen level 17.238100 21.999784 27.269400 17.219000 22.039997 27.533300 +Oncoprotein level 0.140756 1.012002 1.817520 0.102169 1.009633 1.860550 +Base transition rate 0.000318 0.000435 0.000644 0.000323 0.000436 0.000645 +Transition rate 0.000028 0.000189 0.000488 0.000019 0.000190 0.000524 +Necrosis probability 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 + +Comparison for simulation 5: +Metric Mine Min Mine Avg Mine Max Paper Min Paper Avg Paper Max +------------------------------------------------------------------------------------------------- +Oxygen level 16.877700 21.955641 27.225800 16.732700 21.988832 27.405700 +Oncoprotein level 0.140756 1.033408 1.817520 0.102169 1.031139 1.860550 +Base transition rate 0.000315 0.000435 0.000659 0.000323 0.000436 0.000645 +Transition rate 0.000025 0.000193 0.000513 0.000018 0.000194 0.000514 +Necrosis probability 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 + +Comparison for simulation 6: +Metric Mine Min Mine Avg Mine Max Paper Min Paper Avg Paper Max +------------------------------------------------------------------------------------------------- +Oxygen level 16.396100 21.700598 26.904800 16.229300 21.713228 27.070100 +Oncoprotein level 0.140756 1.048316 1.817520 0.102169 1.045505 1.860550 +Base transition rate 0.000315 0.000435 0.000659 0.000323 0.000437 0.000717 +Transition rate 0.000025 0.000192 0.000512 0.000019 0.000192 0.000501 +Necrosis probability 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 + +Comparison for simulation 7: +Metric Mine Min Mine Avg Mine Max Paper Min Paper Avg Paper Max +------------------------------------------------------------------------------------------------- +Oxygen level 16.107500 21.369941 26.853700 15.870200 21.324605 26.803500 +Oncoprotein level 0.140756 1.052880 1.817520 0.102169 1.051345 1.860550 +Base transition rate 0.000315 0.000435 0.000659 0.000323 0.000437 0.000717 +Transition rate 0.000022 0.000187 0.000501 0.000019 0.000186 0.000485 +Necrosis probability 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 + +Comparison for simulation 8: +Metric Mine Min Mine Avg Mine Max Paper Min Paper Avg Paper Max +------------------------------------------------------------------------------------------------- +Oxygen level 15.996500 21.033445 26.748400 15.466200 20.936556 26.850600 +Oncoprotein level 0.140756 1.055732 1.817520 0.102169 1.053421 1.860550 +Base transition rate 0.000315 0.000435 0.000659 0.000323 0.000437 0.000717 +Transition rate 0.000021 0.000181 0.000479 0.000017 0.000180 0.000478 +Necrosis probability 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 + +Comparison for simulation 9: +Metric Mine Min Mine Avg Mine Max Paper Min Paper Avg Paper Max +------------------------------------------------------------------------------------------------- +Oxygen level 15.586900 20.710775 26.495800 14.912200 20.617968 26.397300 +Oncoprotein level 0.140756 1.060112 1.817520 0.102169 1.055886 1.860550 +Base transition rate 0.000315 0.000435 0.000659 0.000323 0.000437 0.000717 +Transition rate 0.000021 0.000177 0.000443 0.000017 0.000175 0.000460 +Necrosis probability 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 + +Comparison for simulation 10: +Metric Mine Min Mine Avg Mine Max Paper Min Paper Avg Paper Max +------------------------------------------------------------------------------------------------- +Oxygen level 14.904200 20.407000 26.167800 14.788300 20.314331 26.118400 +Oncoprotein level 0.140756 1.064731 1.817520 0.102169 1.061169 1.860550 +Base transition rate 0.000315 0.000435 0.000659 0.000322 0.000437 0.000717 +Transition rate 0.000021 0.000173 0.000456 0.000015 0.000171 0.000465 +Necrosis probability 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 + +Comparison for simulation 11: +Metric Mine Min Mine Avg Mine Max Paper Min Paper Avg Paper Max +------------------------------------------------------------------------------------------------- +Oxygen level 14.814700 20.086179 26.078800 14.196200 20.023905 25.944000 +Oncoprotein level 0.140756 1.069362 1.817520 0.102169 1.066090 1.860550 +Base transition rate 0.000315 0.000435 0.000659 0.000322 0.000437 0.000717 +Transition rate 0.000022 0.000168 0.000455 0.000015 0.000167 0.000466 +Necrosis probability 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 + +Comparison for simulation 12: +Metric Mine Min Mine Avg Mine Max Paper Min Paper Avg Paper Max +------------------------------------------------------------------------------------------------- +Oxygen level 14.550800 19.784252 25.854500 13.829900 19.729240 25.655100 +Oncoprotein level 0.140756 1.074462 1.817520 0.102169 1.072082 1.860550 +Base transition rate 0.000315 0.000435 0.000672 0.000322 0.000437 0.000717 +Transition rate 0.000022 0.000164 0.000434 0.000015 0.000163 0.000461 +Necrosis probability 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 + +Comparison for simulation 13: +Metric Mine Min Mine Avg Mine Max Paper Min Paper Avg Paper Max +------------------------------------------------------------------------------------------------- +Oxygen level 14.251300 19.498935 25.548400 13.539100 19.441134 25.327900 +Oncoprotein level 0.140756 1.078960 1.817520 0.102169 1.077271 1.860550 +Base transition rate 0.000315 0.000435 0.000672 0.000322 0.000437 0.000717 +Transition rate 0.000019 0.000160 0.000429 0.000016 0.000159 0.000502 +Necrosis probability 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 + +Comparison for simulation 14: +Metric Mine Min Mine Avg Mine Max Paper Min Paper Avg Paper Max +------------------------------------------------------------------------------------------------- +Oxygen level 13.939700 19.242526 25.206900 13.575300 19.177553 25.716900 +Oncoprotein level 0.140756 1.083694 1.817520 0.102169 1.081173 1.860550 +Base transition rate 0.000315 0.000435 0.000672 0.000322 0.000437 0.000717 +Transition rate 0.000019 0.000157 0.000424 0.000015 0.000155 0.000486 +Necrosis probability 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 + +Comparison for simulation 15: +Metric Mine Min Mine Avg Mine Max Paper Min Paper Avg Paper Max +------------------------------------------------------------------------------------------------- +Oxygen level 13.573200 18.985843 25.386000 12.842600 18.912300 25.488300 +Oncoprotein level 0.140756 1.088919 1.817520 0.102169 1.086194 1.860550 +Base transition rate 0.000315 0.000435 0.000672 0.000322 0.000437 0.000717 +Transition rate 0.000015 0.000153 0.000502 0.000014 0.000152 0.000469 +Necrosis probability 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 + +Comparison for simulation 16: +Metric Mine Min Mine Avg Mine Max Paper Min Paper Avg Paper Max +------------------------------------------------------------------------------------------------- +Oxygen level 13.230900 18.716793 25.086300 12.527100 18.663084 24.985400 +Oncoprotein level 0.140756 1.094493 1.817520 0.102169 1.090740 1.860550 +Base transition rate 0.000315 0.000435 0.000672 0.000322 0.000437 0.000717 +Transition rate 0.000014 0.000149 0.000500 0.000013 0.000148 0.000445 +Necrosis probability 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 + +Comparison for simulation 17: +Metric Mine Min Mine Avg Mine Max Paper Min Paper Avg Paper Max +------------------------------------------------------------------------------------------------- +Oxygen level 13.012000 18.466823 25.205700 12.424700 18.413712 25.020100 +Oncoprotein level 0.140756 1.100105 1.817520 0.102169 1.095767 1.860550 +Base transition rate 0.000315 0.000436 0.000672 0.000322 0.000437 0.000717 +Transition rate 0.000014 0.000146 0.000488 0.000013 0.000145 0.000473 +Necrosis probability 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 + +Comparison for simulation 18: +Metric Mine Min Mine Avg Mine Max Paper Min Paper Avg Paper Max +------------------------------------------------------------------------------------------------- +Oxygen level 12.592200 18.207334 24.873000 12.319200 18.172157 24.689100 +Oncoprotein level 0.140756 1.105882 1.817520 0.102169 1.100481 1.860550 +Base transition rate 0.000315 0.000436 0.000672 0.000322 0.000437 0.000717 +Transition rate 0.000014 0.000142 0.000483 0.000012 0.000141 0.000465 +Necrosis probability 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 + +Comparison for simulation 19: +Metric Mine Min Mine Avg Mine Max Paper Min Paper Avg Paper Max +------------------------------------------------------------------------------------------------- +Oxygen level 12.311100 17.981109 24.736000 12.039500 17.934975 24.548500 +Oncoprotein level 0.140756 1.109801 1.817520 0.102169 1.105019 1.860550 +Base transition rate 0.000315 0.000435 0.000672 0.000322 0.000437 0.000717 +Transition rate 0.000013 0.000139 0.000497 0.000012 0.000138 0.000445 +Necrosis probability 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 + +Comparison for simulation 20: +Metric Mine Min Mine Avg Mine Max Paper Min Paper Avg Paper Max +------------------------------------------------------------------------------------------------- +Oxygen level 11.965000 17.769113 24.904300 11.759700 17.708320 24.414400 +Oncoprotein level 0.140756 1.114097 1.817520 0.102169 1.109409 1.860550 +Base transition rate 0.000315 0.000436 0.000699 0.000322 0.000437 0.000717 +Transition rate 0.000011 0.000136 0.000490 0.000010 0.000135 0.000466 +Necrosis probability 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 + +Comparison for simulation 21: +Metric Mine Min Mine Avg Mine Max Paper Min Paper Avg Paper Max +------------------------------------------------------------------------------------------------- +Oxygen level 11.710100 17.565833 24.389300 11.506500 17.502734 24.823500 +Oncoprotein level 0.140756 1.118690 1.817520 0.102169 1.113756 1.860550 +Base transition rate 0.000315 0.000436 0.000699 0.000322 0.000437 0.000717 +Transition rate 0.000011 0.000133 0.000471 0.000009 0.000132 0.000450 +Necrosis probability 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 + +Comparison for simulation 22: +Metric Mine Min Mine Avg Mine Max Paper Min Paper Avg Paper Max +------------------------------------------------------------------------------------------------- +Oxygen level 11.380300 17.349785 24.163700 11.248000 17.304599 24.453000 +Oncoprotein level 0.140756 1.123872 1.817520 0.102169 1.118863 1.860550 +Base transition rate 0.000315 0.000436 0.000699 0.000322 0.000437 0.000717 +Transition rate 0.000008 0.000130 0.000456 0.000007 0.000129 0.000449 +Necrosis probability 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 + +Comparison for simulation 23: +Metric Mine Min Mine Avg Mine Max Paper Min Paper Avg Paper Max +------------------------------------------------------------------------------------------------- +Oxygen level 11.136900 17.139827 24.356300 11.002300 17.099310 24.093000 +Oncoprotein level 0.140756 1.128547 1.817520 0.102169 1.123620 1.860550 +Base transition rate 0.000315 0.000436 0.000699 0.000322 0.000437 0.000717 +Transition rate 0.000007 0.000127 0.000437 0.000006 0.000126 0.000444 +Necrosis probability 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 + +Comparison for simulation 24: +Metric Mine Min Mine Avg Mine Max Paper Min Paper Avg Paper Max +------------------------------------------------------------------------------------------------- +Oxygen level 10.950700 16.951631 24.612200 10.774100 16.910248 23.825400 +Oncoprotein level 0.140756 1.132869 1.817520 0.102169 1.127700 1.860550 +Base transition rate 0.000315 0.000436 0.000699 0.000322 0.000437 0.000717 +Transition rate 0.000005 0.000124 0.000450 0.000004 0.000123 0.000426 +Necrosis probability 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 + +Comparison for simulation 25: +Metric Mine Min Mine Avg Mine Max Paper Min Paper Avg Paper Max +------------------------------------------------------------------------------------------------- +Oxygen level 10.661800 16.768649 24.502400 10.543000 16.735487 24.420600 +Oncoprotein level 0.140756 1.137370 1.817520 0.102169 1.132083 1.860550 +Base transition rate 0.000315 0.000436 0.000699 0.000322 0.000436 0.000717 +Transition rate 0.000004 0.000122 0.000422 0.000003 0.000120 0.000442 +Necrosis probability 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 + +Comparison for simulation 26: +Metric Mine Min Mine Avg Mine Max Paper Min Paper Avg Paper Max +------------------------------------------------------------------------------------------------- +Oxygen level 10.446200 16.585719 23.938500 10.328800 16.552484 23.967800 +Oncoprotein level 0.140756 1.141512 1.817520 0.102169 1.135809 1.860550 +Base transition rate 0.000315 0.000436 0.000699 0.000322 0.000436 0.000717 +Transition rate 0.000003 0.000119 0.000450 0.000002 0.000118 0.000431 +Necrosis probability 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 + +Comparison for simulation 27: +Metric Mine Min Mine Avg Mine Max Paper Min Paper Avg Paper Max +------------------------------------------------------------------------------------------------- +Oxygen level 10.012300 16.418778 23.772700 10.125400 16.389733 23.965400 +Oncoprotein level 0.140756 1.145541 1.817520 0.102169 1.139754 1.860550 +Base transition rate 0.000315 0.000436 0.000699 0.000318 0.000436 0.000717 +Transition rate 0.000000 0.000117 0.000452 0.000001 0.000115 0.000440 +Necrosis probability 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 + +Comparison for simulation 28: +Metric Mine Min Mine Avg Mine Max Paper Min Paper Avg Paper Max +------------------------------------------------------------------------------------------------- +Oxygen level 9.805190 16.261284 23.569100 9.922180 16.232386 24.125400 +Oncoprotein level 0.140756 1.149638 1.817520 0.102169 1.144059 1.860550 +Base transition rate 0.000315 0.000436 0.000699 0.000318 0.000436 0.000717 +Transition rate 0.000000 0.000114 0.000433 0.000000 0.000113 0.000424 +Necrosis probability 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 + +Comparison for simulation 29: +Metric Mine Min Mine Avg Mine Max Paper Min Paper Avg Paper Max +------------------------------------------------------------------------------------------------- +Oxygen level 9.600130 16.088548 23.912200 9.716580 16.068643 23.920200 +Oncoprotein level 0.140756 1.154091 1.817520 0.102169 1.148337 1.860550 +Base transition rate 0.000315 0.000436 0.000699 0.000318 0.000436 0.000717 +Transition rate 0.000000 0.000112 0.000427 0.000000 0.000111 0.000419 +Necrosis probability 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 + +Comparison for simulation 30: +Metric Mine Min Mine Avg Mine Max Paper Min Paper Avg Paper Max +------------------------------------------------------------------------------------------------- +Oxygen level 9.409560 15.925202 23.723300 9.519990 15.911264 23.623900 +Oncoprotein level 0.140756 1.158450 1.817520 0.102169 1.153024 1.860550 +Base transition rate 0.000315 0.000436 0.000699 0.000318 0.000436 0.000717 +Transition rate 0.000000 0.000109 0.000451 0.000000 0.000108 0.000419 +Necrosis probability 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 + +Comparison for simulation 31: +Metric Mine Min Mine Avg Mine Max Paper Min Paper Avg Paper Max +------------------------------------------------------------------------------------------------- +Oxygen level 9.225550 15.776761 23.784300 9.341730 15.761833 23.326900 +Oncoprotein level 0.140756 1.162948 1.817520 0.102169 1.157097 1.860550 +Base transition rate 0.000315 0.000436 0.000699 0.000318 0.000436 0.000717 +Transition rate 0.000000 0.000107 0.000456 0.000000 0.000106 0.000419 +Necrosis probability 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 + +Comparison for simulation 32: +Metric Mine Min Mine Avg Mine Max Paper Min Paper Avg Paper Max +------------------------------------------------------------------------------------------------- +Oxygen level 9.086410 15.636017 23.556500 9.164240 15.622604 23.389600 +Oncoprotein level 0.140756 1.167138 1.817520 0.102169 1.161487 1.860550 +Base transition rate 0.000315 0.000436 0.000699 0.000318 0.000436 0.000717 +Transition rate 0.000000 0.000105 0.000455 0.000000 0.000104 0.000411 +Necrosis probability 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 + +Comparison for simulation 33: +Metric Mine Min Mine Avg Mine Max Paper Min Paper Avg Paper Max +------------------------------------------------------------------------------------------------- +Oxygen level 9.070750 15.503244 23.385700 8.989210 15.487397 23.360600 +Oncoprotein level 0.140756 1.171375 1.817520 0.102169 1.166455 1.860550 +Base transition rate 0.000315 0.000436 0.000699 0.000318 0.000436 0.000717 +Transition rate 0.000000 0.000103 0.000434 0.000000 0.000102 0.000399 +Necrosis probability 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 + +Comparison for simulation 34: +Metric Mine Min Mine Avg Mine Max Paper Min Paper Avg Paper Max +------------------------------------------------------------------------------------------------- +Oxygen level 8.895440 15.373742 23.963800 8.810410 15.357498 23.237800 +Oncoprotein level 0.140756 1.175818 1.817520 0.102169 1.170871 1.860550 +Base transition rate 0.000315 0.000436 0.000699 0.000318 0.000436 0.000717 +Transition rate 0.000000 0.000102 0.000429 0.000000 0.000101 0.000421 +Necrosis probability 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 + +Comparison for simulation 35: +Metric Mine Min Mine Avg Mine Max Paper Min Paper Avg Paper Max +------------------------------------------------------------------------------------------------- +Oxygen level 8.713740 15.229996 23.767600 8.642020 15.224028 23.664100 +Oncoprotein level 0.140756 1.180412 1.817520 0.102169 1.175548 1.860550 +Base transition rate 0.000315 0.000436 0.000699 0.000318 0.000436 0.000717 +Transition rate 0.000000 0.000099 0.000418 0.000000 0.000099 0.000421 +Necrosis probability 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 + +Comparison for simulation 36: +Metric Mine Min Mine Avg Mine Max Paper Min Paper Avg Paper Max +------------------------------------------------------------------------------------------------- +Oxygen level 8.546280 15.101224 23.501400 8.473890 15.088911 23.509000 +Oncoprotein level 0.140756 1.184663 1.817520 0.102169 1.179978 1.860550 +Base transition rate 0.000315 0.000436 0.000699 0.000318 0.000436 0.000717 +Transition rate 0.000000 0.000098 0.000443 0.000000 0.000097 0.000427 +Necrosis probability 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 + +Comparison for simulation 37: +Metric Mine Min Mine Avg Mine Max Paper Min Paper Avg Paper Max +------------------------------------------------------------------------------------------------- +Oxygen level 8.381910 14.982520 23.331800 8.311440 14.960937 23.651600 +Oncoprotein level 0.140756 1.188685 1.817520 0.102169 1.184607 1.860550 +Base transition rate 0.000315 0.000436 0.000699 0.000318 0.000436 0.000717 +Transition rate 0.000000 0.000096 0.000432 0.000000 0.000095 0.000424 +Necrosis probability 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 + +Comparison for simulation 38: +Metric Mine Min Mine Avg Mine Max Paper Min Paper Avg Paper Max +------------------------------------------------------------------------------------------------- +Oxygen level 8.220090 14.859537 23.428100 8.152960 14.843803 23.658300 +Oncoprotein level 0.140756 1.192936 1.817520 0.102169 1.189061 1.860550 +Base transition rate 0.000315 0.000436 0.000699 0.000318 0.000436 0.000717 +Transition rate 0.000000 0.000094 0.000431 0.000000 0.000094 0.000404 +Necrosis probability 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 + +Comparison for simulation 39: +Metric Mine Min Mine Avg Mine Max Paper Min Paper Avg Paper Max +------------------------------------------------------------------------------------------------- +Oxygen level 8.065090 14.738817 23.858600 8.000030 14.726177 23.531100 +Oncoprotein level 0.140756 1.196930 1.817520 0.102169 1.193428 1.860550 +Base transition rate 0.000315 0.000436 0.000699 0.000318 0.000436 0.000717 +Transition rate 0.000000 0.000093 0.000422 0.000000 0.000092 0.000421 +Necrosis probability 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 + +Comparison for simulation 40: +Metric Mine Min Mine Avg Mine Max Paper Min Paper Avg Paper Max +------------------------------------------------------------------------------------------------- +Oxygen level 7.929770 14.624788 23.480800 7.859790 14.604976 23.614500 +Oncoprotein level 0.140756 1.200701 1.817520 0.102169 1.197624 1.860550 +Base transition rate 0.000315 0.000436 0.000699 0.000318 0.000436 0.000717 +Transition rate 0.000000 0.000091 0.000408 0.000000 0.000090 0.000424 +Necrosis probability 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 + +Comparison for simulation 41: +Metric Mine Min Mine Avg Mine Max Paper Min Paper Avg Paper Max +------------------------------------------------------------------------------------------------- +Oxygen level 7.782320 14.515849 23.527400 7.721980 14.504715 23.585400 +Oncoprotein level 0.140756 1.204858 1.817520 0.102169 1.202333 1.860550 +Base transition rate 0.000315 0.000436 0.000699 0.000318 0.000436 0.000717 +Transition rate 0.000000 0.000090 0.000435 0.000000 0.000089 0.000407 +Necrosis probability 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 + +Comparison for simulation 42: +Metric Mine Min Mine Avg Mine Max Paper Min Paper Avg Paper Max +------------------------------------------------------------------------------------------------- +Oxygen level 7.694630 14.411982 23.522100 7.586420 14.398103 23.766300 +Oncoprotein level 0.140756 1.209438 1.817520 0.102169 1.207264 1.860550 +Base transition rate 0.000315 0.000436 0.000699 0.000318 0.000436 0.000717 +Transition rate 0.000000 0.000088 0.000416 0.000000 0.000088 0.000423 +Necrosis probability 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 + +Comparison for simulation 43: +Metric Mine Min Mine Avg Mine Max Paper Min Paper Avg Paper Max +------------------------------------------------------------------------------------------------- +Oxygen level 7.559120 14.305111 23.925900 7.449100 14.297170 23.666200 +Oncoprotein level 0.140756 1.213490 1.817520 0.102169 1.212126 1.860550 +Base transition rate 0.000315 0.000436 0.000699 0.000318 0.000436 0.000717 +Transition rate 0.000000 0.000087 0.000459 0.000000 0.000087 0.000436 +Necrosis probability 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 + +Comparison for simulation 44: +Metric Mine Min Mine Avg Mine Max Paper Min Paper Avg Paper Max +------------------------------------------------------------------------------------------------- +Oxygen level 7.418110 14.208175 23.603400 7.315780 14.195608 23.679500 +Oncoprotein level 0.140756 1.217457 1.817520 0.102169 1.216743 1.860550 +Base transition rate 0.000315 0.000436 0.000699 0.000318 0.000436 0.000717 +Transition rate 0.000000 0.000086 0.000448 0.000000 0.000086 0.000430 +Necrosis probability 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 + +Comparison for simulation 45: +Metric Mine Min Mine Avg Mine Max Paper Min Paper Avg Paper Max +------------------------------------------------------------------------------------------------- +Oxygen level 7.287400 14.107919 23.338600 7.184130 14.098754 23.963500 +Oncoprotein level 0.140756 1.221697 1.817520 0.102169 1.221128 1.860550 +Base transition rate 0.000301 0.000436 0.000699 0.000318 0.000436 0.000717 +Transition rate 0.000000 0.000085 0.000437 0.000000 0.000084 0.000446 +Necrosis probability 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 + +Comparison for simulation 46: +Metric Mine Min Mine Avg Mine Max Paper Min Paper Avg Paper Max +------------------------------------------------------------------------------------------------- +Oxygen level 7.159020 14.008119 23.703500 7.059440 14.002697 23.590600 +Oncoprotein level 0.140756 1.225957 1.817520 0.102169 1.225892 1.860550 +Base transition rate 0.000301 0.000436 0.000703 0.000318 0.000436 0.000717 +Transition rate 0.000000 0.000083 0.000436 0.000000 0.000083 0.000440 +Necrosis probability 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 + +Comparison for simulation 47: +Metric Mine Min Mine Avg Mine Max Paper Min Paper Avg Paper Max +------------------------------------------------------------------------------------------------- +Oxygen level 7.028330 13.915995 23.772800 6.935010 13.909840 23.970200 +Oncoprotein level 0.140756 1.230287 1.817520 0.102169 1.231216 1.860550 +Base transition rate 0.000301 0.000436 0.000703 0.000318 0.000436 0.000717 +Transition rate 0.000000 0.000082 0.000423 0.000000 0.000082 0.000445 +Necrosis probability 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 + +Comparison for simulation 48: +Metric Mine Min Mine Avg Mine Max Paper Min Paper Avg Paper Max +------------------------------------------------------------------------------------------------- +Oxygen level 6.898240 13.830166 23.588900 6.815350 13.817463 24.617300 +Oncoprotein level 0.140756 1.234567 1.817520 0.102169 1.236088 1.860550 +Base transition rate 0.000301 0.000436 0.000703 0.000318 0.000436 0.000717 +Transition rate 0.000000 0.000082 0.000408 0.000000 0.000081 0.000455 +Necrosis probability 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 + +Comparison for simulation 49: +Metric Mine Min Mine Avg Mine Max Paper Min Paper Avg Paper Max +------------------------------------------------------------------------------------------------- +Oxygen level 6.792790 13.737205 23.481000 6.698440 13.731181 24.589000 +Oncoprotein level 0.140756 1.238894 1.817520 0.102169 1.240855 1.860550 +Base transition rate 0.000301 0.000436 0.000703 0.000318 0.000436 0.000717 +Transition rate 0.000000 0.000080 0.000413 0.000000 0.000081 0.000450 +Necrosis probability 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 + +Comparison for simulation 50: +Metric Mine Min Mine Avg Mine Max Paper Min Paper Avg Paper Max +------------------------------------------------------------------------------------------------- +Oxygen level 6.676380 13.653097 24.843200 6.580280 13.645607 24.119000 +Oncoprotein level 0.140756 1.243168 1.817520 0.102169 1.245594 1.860550 +Base transition rate 0.000301 0.000436 0.000703 0.000318 0.000436 0.000717 +Transition rate 0.000000 0.000080 0.000407 0.000000 0.000080 0.000476 +Necrosis probability 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 + +Comparison for simulation 51: +Metric Mine Min Mine Avg Mine Max Paper Min Paper Avg Paper Max +------------------------------------------------------------------------------------------------- +Oxygen level 6.560490 13.569002 24.405400 6.464580 13.564597 24.276000 +Oncoprotein level 0.140756 1.247355 1.817520 0.102169 1.250754 1.860550 +Base transition rate 0.000301 0.000436 0.000703 0.000318 0.000436 0.000717 +Transition rate 0.000000 0.000079 0.000432 0.000000 0.000079 0.000482 +Necrosis probability 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 + +Comparison for simulation 52: +Metric Mine Min Mine Avg Mine Max Paper Min Paper Avg Paper Max +------------------------------------------------------------------------------------------------- +Oxygen level 6.447430 13.493650 24.052400 6.354030 13.480191 24.448300 +Oncoprotein level 0.140756 1.251507 1.817520 0.102169 1.255656 1.860550 +Base transition rate 0.000301 0.000436 0.000703 0.000318 0.000436 0.000717 +Transition rate 0.000000 0.000078 0.000424 0.000000 0.000078 0.000463 +Necrosis probability 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 + +Comparison for simulation 53: +Metric Mine Min Mine Avg Mine Max Paper Min Paper Avg Paper Max +------------------------------------------------------------------------------------------------- +Oxygen level 6.337270 13.415935 24.146700 6.248710 13.405737 24.997500 +Oncoprotein level 0.140756 1.255699 1.817520 0.102169 1.260689 1.860550 +Base transition rate 0.000301 0.000436 0.000703 0.000318 0.000436 0.000717 +Transition rate 0.000000 0.000077 0.000437 0.000000 0.000078 0.000459 +Necrosis probability 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 + +Comparison for simulation 54: +Metric Mine Min Mine Avg Mine Max Paper Min Paper Avg Paper Max +------------------------------------------------------------------------------------------------- +Oxygen level 6.226590 13.344086 23.835400 6.140590 13.331262 24.457400 +Oncoprotein level 0.140756 1.259812 1.817520 0.102169 1.266005 1.860550 +Base transition rate 0.000301 0.000436 0.000703 0.000318 0.000436 0.000717 +Transition rate 0.000000 0.000077 0.000449 0.000000 0.000077 0.000483 +Necrosis probability 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 + +Comparison for simulation 55: +Metric Mine Min Mine Avg Mine Max Paper Min Paper Avg Paper Max +------------------------------------------------------------------------------------------------- +Oxygen level 6.120950 13.265365 24.143700 6.033240 13.258492 24.938100 +Oncoprotein level 0.140756 1.264034 1.817520 0.102169 1.271387 1.860550 +Base transition rate 0.000301 0.000436 0.000703 0.000318 0.000436 0.000717 +Transition rate 0.000000 0.000076 0.000438 0.000000 0.000076 0.000490 +Necrosis probability 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 + +Comparison for simulation 56: +Metric Mine Min Mine Avg Mine Max Paper Min Paper Avg Paper Max +------------------------------------------------------------------------------------------------- +Oxygen level 6.016760 13.196059 24.303400 5.926810 13.181925 24.723800 +Oncoprotein level 0.140756 1.268370 1.817520 0.102169 1.276952 1.860550 +Base transition rate 0.000301 0.000436 0.000703 0.000318 0.000436 0.000717 +Transition rate 0.000000 0.000075 0.000439 0.000000 0.000076 0.000478 +Necrosis probability 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 + +Comparison for simulation 57: +Metric Mine Min Mine Avg Mine Max Paper Min Paper Avg Paper Max +------------------------------------------------------------------------------------------------- +Oxygen level 5.910850 13.129018 24.023800 5.826400 13.108538 25.264200 +Oncoprotein level 0.140756 1.272781 1.817520 0.102169 1.282126 1.860550 +Base transition rate 0.000301 0.000436 0.000703 0.000318 0.000436 0.000717 +Transition rate 0.000000 0.000075 0.000439 0.000000 0.000075 0.000510 +Necrosis probability 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 + +Comparison for simulation 58: +Metric Mine Min Mine Avg Mine Max Paper Min Paper Avg Paper Max +------------------------------------------------------------------------------------------------- +Oxygen level 5.810160 13.059799 24.228000 5.726880 13.044158 25.611300 +Oncoprotein level 0.140756 1.276979 1.817520 0.102169 1.287362 1.860550 +Base transition rate 0.000301 0.000436 0.000703 0.000318 0.000436 0.000717 +Transition rate 0.000000 0.000074 0.000468 0.000000 0.000075 0.000515 +Necrosis probability 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 + +Comparison for simulation 59: +Metric Mine Min Mine Avg Mine Max Paper Min Paper Avg Paper Max +------------------------------------------------------------------------------------------------- +Oxygen level 5.708260 12.997844 24.777100 5.630130 12.979740 25.426500 +Oncoprotein level 0.140756 1.281323 1.817520 0.102169 1.292599 1.860550 +Base transition rate 0.000301 0.000436 0.000703 0.000318 0.000436 0.000717 +Transition rate 0.000000 0.000074 0.000499 0.000000 0.000074 0.000505 +Necrosis probability 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 diff --git a/draft_code_my_own_analysis/fixed_oxygen_fixed_oncoproteine_fixed_random_rate_tumor_radius_and_cells_comparison.png 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centered at origin + param->simulation_time_step = kDt; // 0.1 minutes + + }; + + + + Simulation simulation(argc, argv, set_param); + auto* ctxt = simulation.GetExecutionContext(); + + //Change Forces + auto* scheduler = simulation.GetScheduler(); + auto* op = scheduler->GetOps("mechanical forces")[0]; + op->GetImplementation()->SetInteractionForce(new InteractionVelocity()); + + + + + // ─────────────────────────────────────── + // Define Substances + // ─────────────────────────────────────── + // substance_id, name, diffusion_coefficient, decay_constant, resolution + ModelInitializer::DefineSubstance(kOxygen, "oxygen", + kDiffusionCoefficientOxygen,// 100000 micrometers^2/minute + kDecayConstantOxygen, // 0.1 minutes^-1 + kResolutionGridSubstances); + + + + ModelInitializer::DefineSubstance(kImmunostimulatoryFactor, "immunostimulatory_factor", + kDiffusionCoefficientImmunostimulatoryFactor, // 1000 micrometers^2/minute + kDecayConstantImmunostimulatoryFactor, // 0.016 minutes^-1 + kResolutionGridSubstances); + auto* rm = Simulation::GetActive()->GetResourceManager(); + + // change time step of the diffusion grids to a smaller value for higher resolution in diffusion. + auto* oxygen_grid = rm->GetDiffusionGrid(kOxygen); + oxygen_grid->SetTimeStep(kTimeStepOxygen);// 0.001 minutes + auto* immunostimulatory_factor_grid = rm->GetDiffusionGrid(kImmunostimulatoryFactor); + immunostimulatory_factor_grid->SetTimeStep(kTimeStepImmunostimulatoryFactor);// 0.01 minutes + + + // Boundary Conditions Dirichlet: simulating absorption or total loss at the boundaries of the space. + //Oxygen comming from the borders (capillary vessels) + ModelInitializer::AddBoundaryConditions( + kOxygen, BoundaryConditionType::kDirichlet, + std::make_unique(kOxygenReferenceLevel));// kOxygenReferenceLevel mmHg is the physiological level of oxygen in tissues, o2 saturation is 100% at this level + + //immunostimulatory_factor disapearing at the boundaries + ModelInitializer::AddBoundaryConditions( + kImmunostimulatoryFactor, BoundaryConditionType::kPeriodic, nullptr);// for an infinite box + + //Initialize oxygen voxels + ModelInitializer::InitializeSubstance(kOxygen, [](real_t x, real_t y, real_t z) { + return kInitialOxygenLevel; // Set all voxels to kInitialOxygenLevel mmHg + }); + + // size_t num_boxes = oxygen_grid->GetNumBoxes(); + // for (size_t idx = 0; idx < num_boxes; ++idx) {oxygen_grid->ChangeConcentrationBy(idx, kInitialOxygenLevel, InteractionMode::kAdditive);}// Set initial concentration of oxygen in all boxes to kInitialOxygenLevel mmHg + // std::cout << num_boxes << std::endl;//This is 0 + + + // ─────────────────────────────────────── + // One spherical tumor of radius kInitialRadiusTumor in the center of the simulation space + // ─────────────────────────────────────── + std::vector positions=CreateSphereOfTumorCells(kInitialRadiusTumor);//positions of the cells + for (const auto& pos : positions) { + TumorCell* tumor_cell = new TumorCell(pos); + tumor_cell->AddBehavior(new StateControlGrowProliferate()); + ctxt->AddAgent(tumor_cell); + } + + //OutputSummary operation + auto* summary_op = new bdm::Operation("OutputSummary"); + summary_op->frequency_ = kOutputCsvInterval; // Set the interval for outputting CSV files + summary_op->AddOperationImpl(bdm::kCpu, new bdm::OutputSummary()); + scheduler->ScheduleOp(summary_op); + + + + // ─────────────────────────────────────── + // Run simulation + // ─────────────────────────────────────── + scheduler->Simulate(kTotalMinutesToSimulate/kDt); + std::cout << "Simulation completed successfully!" << std::endl; + return 0; +} + +} // namespace bdm + +#endif // CART_TUMOR_H_ diff --git a/draft_code_my_own_analysis/no_cart_free_oxygen_fixed_oncoproteine_fixed_random_rate_tumor_radius_and_cells_comparison.png b/draft_code_my_own_analysis/no_cart_free_oxygen_fixed_oncoproteine_fixed_random_rate_tumor_radius_and_cells_comparison.png new file mode 100644 index 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Licensed under the Apache License, Version 2.0 (the "License"); +# you may not use this file except in compliance with the License. +# You may obtain a copy of the License at +# +# http://www.apache.org/licenses/LICENSE-2.0 +# +# Unless required by applicable law or agreed to in writing, software +# distributed under the License is distributed on an "AS IS" BASIS, +# WITHOUT WARRANTIES OR CONDITIONS OF ANY KIND, either express or implied. +# See the License for the specific language governing permissions and +# limitations under the License. +# ----------------------------------------------------------------------------- + +# # ------------------------------------------------------------------------------ +# # Script to simulate and plot the time evolution of cell volume as done in +# # Luciana's paper in order to study necrosis +# # +# # Solves ODEs for fluid and solid volume changes over time: +# # - dF/dt = k_f * (F_target - F) +# # - dNs/dt = k_n * (Ns_target - Ns) +# # - dCs/dt = k_c * (Cs_target - Cs) +# # +# # Total and compartment volumes are updated accordingly. +# # ------------------------------------------------------------------------------ + + + +# import numpy as np +# import matplotlib.pyplot as plt + +# # === Initial Conditions === +# # Based on your Volumen constructor +# total_initial = 2494.0 +# total=total_initial +# fraccion_de_fluido = 0.75 +# fluido = fraccion_de_fluido * total +# solido = total - fluido + +# nuclear = 540.0 +# nuclear_fluido = fraccion_de_fluido * nuclear +# nuclear_solido = nuclear - nuclear_fluido + +# citoplasmatico = total - nuclear +# citoplasmatico_fluido = fraccion_de_fluido * citoplasmatico +# citoplasmatico_solido = citoplasmatico - citoplasmatico_fluido + +# # Parameters +# citoplasma_tasa_de_cambio = 0.0032 /60.0 +# nucleo_tasa_de_cambio = 0.013 / 60.0 +# fluido_tasa_de_cambio = 0.050 /60.0 +# tasa_de_calcificacion = 0.0042 / 60.0 + +# relacion_citoplasma_nucleo = citoplasmatico / ( 1e-16 + nuclear) + +# #TARGET +# target_nucleo_solido = 0 +# target_relacion_citoplasma_nucleo = 0.0 +# target_citoplasma_solido = 0 +# target_fraccion_fluido = 1.0 + +# # For plotting +# time = [] +# total_volume = [] +# fluid_volume = [] +# solid_volume = [] +# fluid_fraction = [] + +# # Simulation settings +# dt = 6 # min +# t_max = 50000 # total time in minutes +# steps = int(t_max / dt) + +# # Initialize dynamic variables +# fraccion_calcificada = 0.0 + +# t_real_t_1= None + +# for step in range(steps): +# t = step * dt + +# # Update fluid volume +# target_fluido = target_fraccion_fluido * total +# fluido += dt * fluido_tasa_de_cambio * (target_fluido - fluido) +# if fluido < 0.0: +# fluido = 0.0 + +# # Update fluid distribution +# nuclear_fluido = (nuclear / total) * fluido +# citoplasmatico_fluido = fluido - nuclear_fluido + +# # Update solid volumes +# nuclear_solido += dt * nucleo_tasa_de_cambio * (target_nucleo_solido - nuclear_solido) +# nuclear_solido = max(0.0, nuclear_solido) + +# target_citoplasma_solido = target_relacion_citoplasma_nucleo * target_nucleo_solido +# citoplasmatico_solido += dt * citoplasma_tasa_de_cambio * (target_citoplasma_solido - citoplasmatico_solido) +# citoplasmatico_solido = max(0.0, citoplasmatico_solido) + +# # Update total components +# solido = nuclear_solido + citoplasmatico_solido +# nuclear = nuclear_solido + nuclear_fluido +# citoplasmatico = citoplasmatico_solido + citoplasmatico_fluido +# total = nuclear + citoplasmatico + +# fraccion_calcificada += dt * tasa_de_calcificacion * (1 - fraccion_calcificada) + + +# fraccion_de_fluido = fluido / (1e-16 + total) + +# # Store for plotting +# time.append(t) +# total_volume.append(total) +# fluid_volume.append(fluido) +# solid_volume.append(solido) +# fluid_fraction.append(fraccion_de_fluido) +# if total > 2*total_initial and t_real_t_1==None: +# print(t, "min") +# t_real_t_1= t +# # === Plotting === +# # plt.figure(figsize=(10, 6)) + +# # plt.plot(time, total_volume, label='Total Volume') +# # plt.plot(time, fluid_volume, label='Fluid Volume') +# # plt.plot(time, solid_volume, label='Solid Volume') +# # plt.plot(time, fluid_fraction, label='Fluid Fraction') + +# # if t_real_t_1 is not None: +# # plt.axvline(x=t_real_t_1, color='red', linestyle='--', label=f'real_t total Volume ({t_real_t_1} min, step={t_real_t_1//dt})') + + +# # plt.xlabel("Time (minutes)") +# # plt.ylabel("Volume (μm³) or Fraction") +# # plt.title("Cell Volume Dynamics Over Time") +# # plt.legend() +# # plt.grid(True) +# # plt.tight_layout() +# # plt.show() + +# # #_-----------------------------------this is the equation I am using in my symplification to have just one volume type------------------------------------------- +# import matplotlib.pyplot as plt + +# # Parameters +# initial_volume = 2494.0 +# current_volume = initial_volume +# target_volume = 4*initial_volume +# relaxation_rate = 0.000059#0.054*(0.35/60)+0.75*(0.05/60)+0.196*(1.0/60) +# dt = 6 +# t_max = 50000 +# steps = int(t_max / dt) + +# # Lists for plotting +# time2 = [] +# volumes = [] + +# # To track when volume real_ts +# t_real_t_2= None + +# # Simulation loop +# for step in range(steps): +# t = step * dt + +# # Update the volume using the formula +# current_volume += (target_volume - current_volume) * relaxation_rate * dt +# volumes.append(current_volume) +# time2.append(t) + +# # Check if volume has real_td +# if current_volume >= 2 * initial_volume and t_real_t_2 is None: +# t_real_t_2 = t +# print(f"Volume real_td at {t_real_t_2} minutes") + +# # # Plotting +# # plt.figure(figsize=(10, 6)) +# # plt.plot(time, volumes, label='Volume') + +# # if t_real_t_2 is not None: +# # plt.axvline(x=t_real_t, color='red', linestyle='--', label=f'real_t Volume ({t_real_t} min, step={t_real_t//dt})') + +# # plt.xlabel("Time (minutes)") +# # plt.ylabel("Volume") +# # plt.title("Volume Evolution Over Time") +# # plt.grid(True) +# # plt.legend() +# # plt.tight_layout() +# # plt.show() + +# # === Plotting Side by Side === +# fig, (ax1, ax2) = plt.subplots(1, 2, figsize=(14, 6), sharex=True, sharey=True) + +# # Plot first model +# ax1.plot(time, total_volume, label='Total Volume') +# ax1.plot(time, fluid_volume, label='Fluid Volume') +# ax1.plot(time, solid_volume, label='Solid Volume') +# ax1.plot(time, fluid_fraction, label='Fluid Fraction') +# if t_real_t_1: +# ax1.axvline(t_real_t_1, color='red', linestyle='--', label=f'real_t at {t_real_t_1} min, step={t_real_t_1//dt}') +# ax1.set_title("Model 1: Detailed Volume Dynamics") +# ax1.set_xlabel("Time (minutes)") +# ax1.set_ylabel("Volume (μm³) or Fraction") +# ax1.grid(True) +# ax1.legend() + +# # Plot second model +# ax2.plot(time2, volumes, label='Volume', color='purple') +# if t_real_t_2: +# ax2.axvline(t_real_t_2, color='red', linestyle='--', label=f'real_t at {t_real_t_2} min, step={t_real_t_2//dt}') +# ax2.set_title("Model 2: Simplified Growth Model") +# ax2.set_xlabel("Time (minutes)") +# ax2.grid(True) +# ax2.legend() + +# plt.tight_layout() +# plt.show() + + +# ------------------------------------------------------------------------------ +# Script to simulate and plot the time evolution of cell volume as done in +# Luciana's paper in order to study necrosis +# +# Solves ODEs for fluid and solid volume changes over time: +# - dF/dt = k_f * (F_target - F) +# - dNs/dt = k_n * (Ns_target - Ns) +# - dCs/dt = k_c * (Cs_target - Cs) +# +# Total and compartment volumes are updated accordingly. +# ------------------------------------------------------------------------------ + + + +import numpy as np +import matplotlib.pyplot as plt + +# === Initial Conditions === +# Based on your Volumen constructor +total_initial = 2494.0 +total=total_initial +fraccion_de_fluido = 0.75 +fluido = fraccion_de_fluido * total +solido = total - fluido + +nuclear = 540.0 +nuclear_fluido = fraccion_de_fluido * nuclear +nuclear_solido = nuclear - nuclear_fluido + +citoplasmatico = total - nuclear +citoplasmatico_fluido = fraccion_de_fluido * citoplasmatico +citoplasmatico_solido = citoplasmatico - citoplasmatico_fluido + +# Parameters +citoplasma_tasa_de_cambio = 0.27/60.0 +nucleo_tasa_de_cambio = 0.33/60.0 +fluido_tasa_de_cambio = 3.0 / 60.0 + +tasa_de_calcificacion = 0.0 + +relacion_citoplasma_nucleo = citoplasmatico / ( 1e-16 + nuclear) + +#TARGET +target_nucleo_solido = 2*nuclear_solido +target_relacion_citoplasma_nucleo = relacion_citoplasma_nucleo +target_citoplasma_solido = 2*citoplasmatico_solido +target_fraccion_fluido = fraccion_de_fluido + +# For plotting +time = [] +total_volume = [] +fluid_volume = [] +solid_volume = [] +fluid_fraction = [] + +# Simulation settings +dt = 6 # min +t_max = 500 # total time in minutes +steps = int(t_max / dt) + +# Initialize dynamic variables +fraccion_calcificada = 0.0 + +t_real_t_1= None + +for step in range(steps): + t = step * dt + + # Update fluid volume + target_fluido = target_fraccion_fluido * total + fluido += dt * fluido_tasa_de_cambio * (target_fluido - fluido) + if fluido < 0.0: + fluido = 0.0 + + # Update fluid distribution + nuclear_fluido = (nuclear / total) * fluido + citoplasmatico_fluido = fluido - nuclear_fluido + + # Update solid volumes + nuclear_solido += dt * nucleo_tasa_de_cambio * (target_nucleo_solido - nuclear_solido) + nuclear_solido = max(0.0, nuclear_solido) + + target_citoplasma_solido = target_relacion_citoplasma_nucleo * target_nucleo_solido + citoplasmatico_solido += dt * citoplasma_tasa_de_cambio * (target_citoplasma_solido - citoplasmatico_solido) + citoplasmatico_solido = max(0.0, citoplasmatico_solido) + + # Update total components + solido = nuclear_solido + citoplasmatico_solido + nuclear = nuclear_solido + nuclear_fluido + citoplasmatico = citoplasmatico_solido + citoplasmatico_fluido + total = nuclear + citoplasmatico + + fraccion_calcificada += dt * tasa_de_calcificacion * (1 - fraccion_calcificada) + + + fraccion_de_fluido = fluido / (1e-16 + total) + + # Store for plotting + time.append(t) + total_volume.append(total) + fluid_volume.append(fluido) + solid_volume.append(solido) + fluid_fraction.append(fraccion_de_fluido) + if total > 2*total_initial and t_real_t_1==None: + print(t, "min") + t_real_t_1= t +# === Plotting === +# plt.figure(figsize=(10, 6)) + +# plt.plot(time, total_volume, label='Total Volume') +# plt.plot(time, fluid_volume, label='Fluid Volume') +# plt.plot(time, solid_volume, label='Solid Volume') +# plt.plot(time, fluid_fraction, label='Fluid Fraction') + +# if t_real_t_1 is not None: +# plt.axvline(x=t_real_t_1, color='red', linestyle='--', label=f'real_t total Volume ({t_real_t_1} min, step={t_real_t_1//dt})') + + +# plt.xlabel("Time (minutes)") +# plt.ylabel("Volume (μm³) or Fraction") +# plt.title("Cell Volume Dynamics Over Time") +# plt.legend() +# plt.grid(True) +# plt.tight_layout() +# plt.show() + +# #_-----------------------------------this is the equation I am using in my symplification to have just one volume type------------------------------------------- +import matplotlib.pyplot as plt + +# Parameters +initial_volume = 2494.0 +current_volume = initial_volume +target_volume = 2*initial_volume +relaxation_rate = 0.054*(0.33/60)+0.75*(3.0/60)+0.196*(0.27/60) +dt = 6 +t_max = 500 +steps = int(t_max / dt) + +# Lists for plotting +time2 = [] +volumes = [] + +# To track when volume real_ts +t_real_t_2= None + +# Simulation loop +for step in range(steps): + t = step * dt + + # Update the volume using the formula + current_volume += (target_volume - current_volume) * relaxation_rate * dt + volumes.append(current_volume) + time2.append(t) + + # Check if volume has real_td + if current_volume >= 2 * initial_volume and t_real_t_2 is None: + t_real_t_2 = t + print(f"Volume real_td at {t_real_t_2} minutes") + +# # Plotting +# plt.figure(figsize=(10, 6)) +# plt.plot(time, volumes, label='Volume') + +# if t_real_t_2 is not None: +# plt.axvline(x=t_real_t, color='red', linestyle='--', label=f'real_t Volume ({t_real_t} min, step={t_real_t//dt})') + +# plt.xlabel("Time (minutes)") +# plt.ylabel("Volume") +# plt.title("Volume Evolution Over Time") +# plt.grid(True) +# plt.legend() +# plt.tight_layout() +# plt.show() + +# === Plotting Side by Side === +fig, (ax1, ax2) = plt.subplots(1, 2, figsize=(14, 6), sharex=True, sharey=True) + +# Plot first model +ax1.plot(time, total_volume, label='Total Volume') +ax1.plot(time, fluid_volume, label='Fluid Volume') +ax1.plot(time, solid_volume, label='Solid Volume') +ax1.plot(time, fluid_fraction, label='Fluid Fraction') +if t_real_t_1: + ax1.axvline(t_real_t_1, color='red', linestyle='--', label=f'real_t at {t_real_t_1} min, step={t_real_t_1//dt}') +ax1.set_title("Model 1: Detailed Volume Dynamics") +ax1.set_xlabel("Time (minutes)") +ax1.set_ylabel("Volume (μm³) or Fraction") +ax1.grid(True) +ax1.legend() + +# Plot second model +ax2.plot(time2, volumes, label='Volume', color='purple') +if t_real_t_2: + ax2.axvline(t_real_t_2, color='red', linestyle='--', label=f'real_t at {t_real_t_2} min, step={t_real_t_2//dt}') +ax2.set_title("Model 2: Simplified Growth Model") +ax2.set_xlabel("Time (minutes)") +ax2.grid(True) +ax2.legend() + +plt.tight_layout() +plt.show() \ No newline at end of file diff --git a/draft_code_my_own_analysis/plot_forces.py b/draft_code_my_own_analysis/plot_forces.py new file mode 100644 index 0000000..030a7f3 --- /dev/null +++ b/draft_code_my_own_analysis/plot_forces.py @@ -0,0 +1,85 @@ +# ----------------------------------------------------------------------------- +# Copyright (C) 2025 Salvador de la Torre Gonzalez +# Co-author: Luciana Melina Luque +# +# Licensed under the Apache License, Version 2.0 (the "License"); +# you may not use this file except in compliance with the License. +# You may obtain a copy of the License at +# +# http://www.apache.org/licenses/LICENSE-2.0 +# +# Unless required by applicable law or agreed to in writing, software +# distributed under the License is distributed on an "AS IS" BASIS, +# WITHOUT WARRANTIES OR CONDITIONS OF ANY KIND, either express or implied. +# See the License for the specific language governing permissions and +# limitations under the License. +# ----------------------------------------------------------------------------- + +import pandas as pd +import matplotlib.pyplot as plt + +# Read CSV files +df_mine = pd.read_csv('forces.csv', header=None) +df_mine_positive = df_mine[df_mine.iloc[:, 1] >= 0] + +df_theirs = pd.read_csv('fuerzas.csv', header=None) +df_theirs.iloc[:, 0] = df_theirs.iloc[:, 0] - 0.1 +df_theirs_positive = df_theirs[df_theirs.iloc[:, 1] >= 0] +# Define column names for clarity +# Column 0: time, Columns 1-3: coordinate_x, coordinate_y, coordinate_z +# Columns 4-6: not relevant, Column 7: displacement_norm + +# Create figure with 4 subplots +fig, ((ax1, ax2), (ax3, ax4)) = plt.subplots(2, 2, figsize=(12, 10)) + +# Plot 1: Time vs Coordinate X +ax1.plot(df_mine_positive.iloc[:, 0], df_mine_positive.iloc[:, 1], + color='blue', label='My data', linewidth=2, linestyle='-') +ax1.plot(df_theirs_positive.iloc[:, 0], df_theirs_positive.iloc[:, 1], + color='red', label='Their data', linewidth=2, linestyle='--') +ax1.set_xlabel('Time') +ax1.set_ylabel('Coordinate X') +ax1.set_title('Time vs Coordinate X') +ax1.legend() +ax1.grid(True, alpha=0.3) + +# Plot 2: Time vs Coordinate Y +ax2.plot(df_mine_positive.iloc[:, 0], df_mine_positive.iloc[:, 2], + color='blue', label='My data', linewidth=2, linestyle='-') +ax2.plot(df_theirs_positive.iloc[:, 0], df_theirs_positive.iloc[:, 2], + color='red', label='Their data', linewidth=2, linestyle='--') +ax2.set_xlabel('Time') +ax2.set_ylabel('Coordinate Y') +ax2.set_title('Time vs Coordinate Y') +ax2.legend() +ax2.grid(True, alpha=0.3) + +# Plot 3: Time vs Coordinate Z +ax3.plot(df_mine_positive.iloc[:, 0], df_mine_positive.iloc[:, 3], + color='blue', label='My data', linewidth=2, linestyle='-') +ax3.plot(df_theirs_positive.iloc[:, 0], df_theirs_positive.iloc[:, 3], + color='red', label='Their data', linewidth=2, linestyle='--') +ax3.set_xlabel('Time') +ax3.set_ylabel('Coordinate Z') +ax3.set_title('Time vs Coordinate Z') +ax3.legend() +ax3.grid(True, alpha=0.3) + +# Plot 4: Time vs Displacement Norm +ax4.plot(df_mine_positive.iloc[:, 0], df_mine_positive.iloc[:, 7], + color='blue', label='My data', linewidth=2, linestyle='-') +ax4.plot(df_theirs_positive.iloc[:, 0], df_theirs_positive.iloc[:, 7], + color='red', label='Their data', linewidth=2, linestyle='--') +ax4.set_xlabel('Time') +ax4.set_ylabel('Displacement Norm') +ax4.set_title('Time vs Displacement Norm') +ax4.legend() +ax4.grid(True, alpha=0.3) + +# Adjust layout to prevent overlapping +plt.tight_layout() + +# Save the figure +plt.savefig('force_comparison_plots_fixed_cell_volume_adhesion.png', dpi=300, bbox_inches='tight') +print("Plot saved") + diff --git a/draft_code_my_own_analysis/plot_num_cells_nad_radius.py b/draft_code_my_own_analysis/plot_num_cells_nad_radius.py new file mode 100644 index 0000000..a6bd185 --- /dev/null +++ b/draft_code_my_own_analysis/plot_num_cells_nad_radius.py @@ -0,0 +1,71 @@ +# ----------------------------------------------------------------------------- +# Copyright (C) 2025 Salvador de la Torre Gonzalez +# Co-author: Luciana Melina Luque +# +# Licensed under the Apache License, Version 2.0 (the "License"); +# you may not use this file except in compliance with the License. +# You may obtain a copy of the License at +# +# http://www.apache.org/licenses/LICENSE-2.0 +# +# Unless required by applicable law or agreed to in writing, software +# distributed under the License is distributed on an "AS IS" BASIS, +# WITHOUT WARRANTIES OR CONDITIONS OF ANY KIND, either express or implied. +# See the License for the specific language governing permissions and +# limitations under the License. +# ----------------------------------------------------------------------------- + +import pandas as pd +import matplotlib.pyplot as plt +import os +import numpy as np + +# Paths to the data files +csv_data_path = 'final_data.csv' +dat_data_path = 'DatosFinales.dat' +days = 30.1 + +# Read the CSV data +df_csv = pd.read_csv(csv_data_path) + +column_names = ['#tiempo', 'volumen', 'volumen2', 'radio', 'celulas tumorales', + 'celulas muertas', 'tumor_muerto', 'todas las celulas'] +df_dat = pd.read_csv(dat_data_path, sep=' ', names=column_names, skiprows=1) + +df_dat['#tiempo'] = pd.to_numeric(df_dat['#tiempo']) + +df_dat['total_days'] = df_dat['#tiempo'] / 1440 # 1440 minutes in a day + +filtered_df_csv = df_csv[df_csv['total_days'] <= days] +filtered_df_dat = df_dat[df_dat['total_days'] <= days] + +fig, ax1 = plt.subplots(figsize=(10, 6)) + +color1 = 'blue' +ax1.set_xlabel('Time (days)') +ax1.set_ylabel('Tumor Radius', color=color1) +ax1.plot(filtered_df_csv['total_days'], filtered_df_csv['tumor_radius'], + color=color1, marker='o', label='Tumor Radius: Model in BioDynaMo') +ax1.plot(filtered_df_dat['total_days'], filtered_df_dat['radio'], + color=color1, linestyle='--', marker='x', label='Tumor Radius: Model from Nature paper') +ax1.tick_params(axis='y', labelcolor=color1) + +ax2 = ax1.twinx() +color2 = 'red' +ax2.set_ylabel('Number of Cells', color=color2) +ax2.plot(filtered_df_csv['total_days'], filtered_df_csv['num_cells'], + color=color2, marker='s', label='Number of Cells: Model in BioDynaMo') +ax2.plot(filtered_df_dat['total_days'], filtered_df_dat['todas las celulas'], + color=color2, linestyle='--', marker='+', label='Number of Cells: Model from Nature paper') +ax2.tick_params(axis='y', labelcolor=color2) + +lines1, labels1 = ax1.get_legend_handles_labels() +lines2, labels2 = ax2.get_legend_handles_labels() +ax1.legend(lines1 + lines2, labels1 + labels2, loc='best') + +plt.title('Tumor Radius and Cell Count over Time') + +plt.tight_layout() +plt.grid(True, linestyle='--', alpha=0.7) +plt.savefig('./no_cart_free_oxygen_free_oncoproteine_free_random_rate_tumor_radius_and_cells_comparison.png', dpi=300) +print("Plot saved") \ No newline at end of file diff --git a/draft_code_my_own_analysis/plot_oncoproteine_and_oxygen_levels.py b/draft_code_my_own_analysis/plot_oncoproteine_and_oxygen_levels.py new file mode 100644 index 0000000..043e443 --- /dev/null +++ b/draft_code_my_own_analysis/plot_oncoproteine_and_oxygen_levels.py @@ -0,0 +1,99 @@ +# ----------------------------------------------------------------------------- +# Copyright (C) 2025 Salvador de la Torre Gonzalez +# Co-author: Luciana Melina Luque +# +# Licensed under the Apache License, Version 2.0 (the "License"); +# you may not use this file except in compliance with the License. +# You may obtain a copy of the License at +# +# http://www.apache.org/licenses/LICENSE-2.0 +# +# Unless required by applicable law or agreed to in writing, software +# distributed under the License is distributed on an "AS IS" BASIS, +# WITHOUT WARRANTIES OR CONDITIONS OF ANY KIND, either express or implied. +# See the License for the specific language governing permissions and +# limitations under the License. +# ----------------------------------------------------------------------------- + +import pandas as pd +import matplotlib.pyplot as plt +import numpy as np + +# Configuration +num_files = 60 # Files from 0 to 59 +time_interval = 0.5 # Each file represents half a day + +# Initialize lists to store data +days = [] +oxygen_mine = [] +oxygen_paper = [] +oncoproteine_mine = [] +oncoproteine_paper = [] + +# Read data from all files +for i in range(num_files): + # Calculate the day for this file + day = i * time_interval + days.append(day) + + try: + # Read data from processed CSV files + df_mine = pd.read_csv(f'processed/simulation_data_mine{i}_processed.csv') + df_paper = pd.read_csv(f'processed/simulation_data{i}_processed.csv') + + # Extract average values for plotting + oxygen_mine.append(df_mine['avg_oxygen_level'].iloc[0]) + oxygen_paper.append(df_paper['avg_oxygen_level'].iloc[0]) + oncoproteine_mine.append(df_mine['avg_oncoproteine_level'].iloc[0]) + oncoproteine_paper.append(df_paper['avg_oncoproteine_level'].iloc[0]) + + except FileNotFoundError: + print(f"Warning: File for simulation {i} not found, skipping...") + # Remove the day we just added if file doesn't exist + days.pop() + +# Create the plot +fig, ax1 = plt.subplots(figsize=(12, 8)) + +# Plot oxygen levels on the primary y-axis +color1 = 'blue' +ax1.set_xlabel('Time (days)') +ax1.set_ylabel('Average Oxygen Level', color=color1) +ax1.plot(days, oxygen_mine, color=color1, marker='o', markersize=4, + label='Average Oxygen Level: Model in BioDynaMo', linewidth=2) +ax1.plot(days, oxygen_paper, color=color1, linestyle='--', marker='x', markersize=4, + label='Average Oxygen Level: Model from Nature paper', linewidth=2) +ax1.tick_params(axis='y', labelcolor=color1) + +# Create secondary y-axis for oncoproteine levels +ax2 = ax1.twinx() +color2 = 'red' +ax2.set_ylabel('Average Oncoprotein Level', color=color2) +ax2.plot(days, oncoproteine_mine, color=color2, marker='s', markersize=4, + label='Average Oncoprotein Level: Model in BioDynaMo', linewidth=2) +ax2.plot(days, oncoproteine_paper, color=color2, linestyle='--', marker='+', markersize=4, + label='Average Oncoprotein Level: Model from Nature paper', linewidth=2) +ax2.tick_params(axis='y', labelcolor=color2) + +# Combine legends from both axes and position at top center +lines1, labels1 = ax1.get_legend_handles_labels() +lines2, labels2 = ax2.get_legend_handles_labels() +ax1.legend(lines1 + lines2, labels1 + labels2, loc='upper center', bbox_to_anchor=(0.5, 1.0), ncol=2) + +# Set title and formatting +plt.title('Oxygen and Oncoprotein Levels over Time Comparison', fontsize=14, fontweight='bold') +plt.tight_layout() +plt.grid(True, linestyle='--', alpha=0.7) + +# Save the plot +plt.savefig('./no_cart_oxygen_oncoproteine_comparison.png', dpi=300, bbox_inches='tight') +print("Plot saved as 'no_cart_oxygen_oncoproteine_comparison.png'") +plt.show() + +# Print summary statistics +print(f"\nSummary Statistics:") +print(f"Time range: {min(days):.1f} to {max(days):.1f} days") +print(f"Oxygen - Model in BioDynaMo: min={min(oxygen_mine):.6f}, max={max(oxygen_mine):.6f}, avg={np.mean(oxygen_mine):.6f}") +print(f"Oxygen - Model from Nature paper: min={min(oxygen_paper):.6f}, max={max(oxygen_paper):.6f}, avg={np.mean(oxygen_paper):.6f}") +print(f"Oncoproteine - Model in BioDynaMo: min={min(oncoproteine_mine):.6f}, max={max(oncoproteine_mine):.6f}, avg={np.mean(oncoproteine_mine):.6f}") +print(f"Oncoproteine - Model from Nature paper: min={min(oncoproteine_paper):.6f}, max={max(oncoproteine_paper):.6f}, avg={np.mean(oncoproteine_paper):.6f}") \ No newline at end of file diff --git a/draft_code_my_own_analysis/plot_oxygen_density.py b/draft_code_my_own_analysis/plot_oxygen_density.py new file mode 100644 index 0000000..22daf4b --- /dev/null +++ b/draft_code_my_own_analysis/plot_oxygen_density.py @@ -0,0 +1,72 @@ +# ----------------------------------------------------------------------------- +# Copyright (C) 2025 Salvador de la Torre Gonzalez +# Co-author: Luciana Melina Luque +# +# Licensed under the Apache License, Version 2.0 (the "License"); +# you may not use this file except in compliance with the License. +# You may obtain a copy of the License at +# +# http://www.apache.org/licenses/LICENSE-2.0 +# +# Unless required by applicable law or agreed to in writing, software +# distributed under the License is distributed on an "AS IS" BASIS, +# WITHOUT WARRANTIES OR CONDITIONS OF ANY KIND, either express or implied. +# See the License for the specific language governing permissions and +# limitations under the License. +# ----------------------------------------------------------------------------- + +import pandas as pd +import os +import seaborn as sns +import matplotlib.pyplot as plt +import numpy as np + + +df_theirs = pd.read_csv("./simulation_data_theirs11.csv", + names=['oxygen_level', 'oncoproteine_level', 'base_transition_rate', + 'final_rate_transition', 'probability_necrosis']) +df_mine = pd.read_csv("./simulation_data_mine12.csv", + names=['oxygen_level', 'oncoproteine_level', 'base_transition_rate', + 'final_rate_transition', 'probability_necrosis']) + + +plt.figure(figsize=(10, 6)) +# Create normalized density plots for both datasets +sns.kdeplot(df_theirs['oxygen_level'], fill=True, alpha=0.6, label='Theirs', color='blue') +sns.kdeplot(df_mine['oxygen_level'], fill=True, alpha=0.6, label='Mine', color='red') + +# Calculate means +mean_theirs = df_theirs['oxygen_level'].mean() +mean_mine = df_mine['oxygen_level'].mean() + +# Add vertical lines for means +plt.axvline(mean_theirs, color='blue', linestyle='--', alpha=0.8, linewidth=2) +plt.axvline(mean_mine, color='red', linestyle='--', alpha=0.8, linewidth=2) + +# Add text annotations for means +plt.text(mean_theirs, plt.ylim()[1]*0.9, f'Mean (Theirs): {mean_theirs:.2f}', + rotation=90, verticalalignment='top', color='black', fontsize=10, fontweight='bold') +plt.text(mean_mine, plt.ylim()[1]*0.5, f'Mean (Mine): {mean_mine:.2f}', + rotation=90, verticalalignment='top', color='black', fontsize=10, fontweight='bold') + +plt.xlabel('Oxygen Level') +plt.ylabel('Probability Density') +plt.title('Comparison of Oxygen Level') +plt.legend() +plt.grid(True, alpha=0.3) +plt.tight_layout() + +# Save the plot +# plt.savefig('oxygen_no_force_without_consumption.png', dpi=300, bbox_inches='tight') +plt.show() + +# Compare statistics for both datasets +print("=== THEIRS ===") +print(f"Data range: {df_theirs['oxygen_level'].min():.2f} to {df_theirs['oxygen_level'].max():.2f}") +print(f"Mean: {df_theirs['oxygen_level'].mean():.2f}") +print(f"Standard deviation: {df_theirs['oxygen_level'].std():.2f}") + +print("\n=== MINE ===") +print(f"Data range: {df_mine['oxygen_level'].min():.2f} to {df_mine['oxygen_level'].max():.2f}") +print(f"Mean: {df_mine['oxygen_level'].mean():.2f}") +print(f"Standard deviation: {df_mine['oxygen_level'].std():.2f}") \ No newline at end of file diff --git a/draft_code_my_own_analysis/plot_type_of_cells.py b/draft_code_my_own_analysis/plot_type_of_cells.py new file mode 100644 index 0000000..a80d41e --- /dev/null +++ b/draft_code_my_own_analysis/plot_type_of_cells.py @@ -0,0 +1,95 @@ +# ----------------------------------------------------------------------------- +# Copyright (C) 2025 Salvador de la Torre Gonzalez +# Co-author: Luciana Melina Luque +# +# Licensed under the Apache License, Version 2.0 (the "License"); +# you may not use this file except in compliance with the License. +# You may obtain a copy of the License at +# +# http://www.apache.org/licenses/LICENSE-2.0 +# +# Unless required by applicable law or agreed to in writing, software +# distributed under the License is distributed on an "AS IS" BASIS, +# WITHOUT WARRANTIES OR CONDITIONS OF ANY KIND, either express or implied. +# See the License for the specific language governing permissions and +# limitations under the License. +# ----------------------------------------------------------------------------- + +import pandas as pd +import matplotlib.pyplot as plt + +# Read the CSV file +df = pd.read_csv('./final_data.csv') + +# Calculate percentages for our model data +df['type1_percentage'] = 100 * df['tumor_cells_type1'] / df['num_tumor_cells'] +df['type2_percentage'] = 100 * df['tumor_cells_type2'] / df['num_tumor_cells'] +df['type3_percentage'] = 100 * df['tumor_cells_type3'] / df['num_tumor_cells'] +df['type4_percentage'] = 100 * df['tumor_cells_type4'] / df['num_tumor_cells'] + +# Nature Paper data - days and data processing +days = [0,719,1439,2160,2880,3600,4320,5040,5760,6480,7200,7920,8640,9360,10080,10800,11520,12240,12960,13680,14400,15120,15840,16560,17280,18000,18719,19439,20159,20879,21599,22319,23039,23759,24479,25199,25919,26639,27359,28079,28799,29519,30239,30959,31679,32399,33119,33839,34559,35279,35999,36719,37439,38159,38879,39599,40319,41039,41759,42479,43199] + +quantities_type1 = [] +quantities_type2 = [] +quantities_type3 = [] +quantities_type4 = [] +time_days = [] + +for i in range(0, len(days)): + file_path = 'Datos_{}.xyz'.format(days[i]) + + # Read data file + data = pd.read_csv('./'+file_path+'', sep=" ", skiprows=1, header=None) + data.columns = ["a", "b", "c", "d", "e", "f", "g", "h", "i", "j", "k", "l", "m", "n", "o", "p", "q"] + + count_type1 = 0 + count_type2 = 0 + count_type3 = 0 + count_type4 = 0 + count_type0 = 0 + + # Count cells by type + for j in range(0, len(data)): + if data.m[j] == 1: + count_type1 += 1 + elif data.m[j] == 2: + count_type2 += 1 + elif data.m[j] == 3: + count_type3 += 1 + elif data.m[j] == 4: + count_type4 += 1 + elif data.m[j] == 0: + count_type0 += 1 + + # Calculate percentages + total_tumor_cells = count_type1 + count_type2 + count_type3 + count_type4 + quantities_type1.append(100 * count_type1 / total_tumor_cells) + quantities_type2.append(100 * count_type2 / total_tumor_cells) + quantities_type3.append(100 * count_type3 / total_tumor_cells) + quantities_type4.append(100 * count_type4 / total_tumor_cells) + time_days.append(days[i] / 1440) # Convert to days + +# Plot the number of cells of each type over time (types 1-4) +plt.figure(figsize=(10, 6)) + +# Our model data (solid lines) - now as percentages +plt.plot(df['total_days'], df['type1_percentage'], color='darkred', label='Type 1 (Model in BioDynaMo)', linewidth=2) +plt.plot(df['total_days'], df['type2_percentage'], color='red', label='Type 2 (Model in BioDynaMo)', linewidth=2) +plt.plot(df['total_days'], df['type3_percentage'], color='darkorange', label='Type 3 (Model in BioDynaMo)', linewidth=2) +plt.plot(df['total_days'], df['type4_percentage'], color='gold', label='Type 4 (Model in BioDynaMo)', linewidth=2) + +# Nature Paper data (dashed lines) +plt.plot(time_days, quantities_type1, color='darkred', linestyle='--', label='Type 1 (Model from Nature paper)', linewidth=2) +plt.plot(time_days, quantities_type2, color='red', linestyle='--', label='Type 2 (Model from Nature paper)', linewidth=2) +plt.plot(time_days, quantities_type3, color='darkorange', linestyle='--', label='Type 3 (Model from Nature paper)', linewidth=2) +plt.plot(time_days, quantities_type4, color='gold', linestyle='--', label='Type 4 (Model from Nature paper)', linewidth=2) + +plt.xlabel('Time (days)') +plt.ylabel('Cell types [%]') +plt.title('Tumor Cell Types Comparison: no CAR-T involved') +plt.legend(bbox_to_anchor=(1.05, 1), loc='upper left') +plt.grid(True) +plt.tight_layout() +plt.savefig('./no_cart_free_oxygen_free_oncoproteine_free_random_rate_tumor_cell_types_comparison.png', dpi=300) +print("Plot saved") \ No newline at end of file diff --git a/draft_code_my_own_analysis/process_csv_files.py b/draft_code_my_own_analysis/process_csv_files.py new file mode 100644 index 0000000..8b0771f --- /dev/null +++ b/draft_code_my_own_analysis/process_csv_files.py @@ -0,0 +1,81 @@ +# ----------------------------------------------------------------------------- +# Copyright (C) 2025 Salvador de la Torre Gonzalez +# Co-author: Luciana Melina Luque +# +# Licensed under the Apache License, Version 2.0 (the "License"); +# you may not use this file except in compliance with the License. +# You may obtain a copy of the License at +# +# http://www.apache.org/licenses/LICENSE-2.0 +# +# Unless required by applicable law or agreed to in writing, software +# distributed under the License is distributed on an "AS IS" BASIS, +# WITHOUT WARRANTIES OR CONDITIONS OF ANY KIND, either express or implied. +# See the License for the specific language governing permissions and +# limitations under the License. +# ----------------------------------------------------------------------------- + +import pandas as pd +import os + +name = 'simulation_data' #simulation_data_mine #simulation_data_theirs +num_files = 60 +def process_csv_file(input_filename, output_filename): + """ + Process a CSV file to calculate min, avg, max for each column + and save to a new CSV with '_processed' suffix + """ + # Read the original CSV + df = pd.read_csv(input_filename, + names=['oxygen_level', 'oncoproteine_level', 'base_transition_rate', + 'final_rate_transition', 'probability_necrosis']) + + # Calculate statistics + min_vals = df.min() + mean_vals = df.mean() + max_vals = df.max() + + # Create processed data with 15 columns (min, avg, max for each of 5 metrics) + processed_data = { + 'min_oxygen_level': [min_vals['oxygen_level']], + 'avg_oxygen_level': [mean_vals['oxygen_level']], + 'max_oxygen_level': [max_vals['oxygen_level']], + 'min_oncoproteine_level': [min_vals['oncoproteine_level']], + 'avg_oncoproteine_level': [mean_vals['oncoproteine_level']], + 'max_oncoproteine_level': [max_vals['oncoproteine_level']], + 'min_base_transition_rate': [min_vals['base_transition_rate']], + 'avg_base_transition_rate': [mean_vals['base_transition_rate']], + 'max_base_transition_rate': [max_vals['base_transition_rate']], + 'min_final_rate_transition': [min_vals['final_rate_transition']], + 'avg_final_rate_transition': [mean_vals['final_rate_transition']], + 'max_final_rate_transition': [max_vals['final_rate_transition']], + 'min_probability_necrosis': [min_vals['probability_necrosis']], + 'avg_probability_necrosis': [mean_vals['probability_necrosis']], + 'max_probability_necrosis': [max_vals['probability_necrosis']] + } + + # Create DataFrame and save + processed_df = pd.DataFrame(processed_data) + processed_df.to_csv(output_filename, index=False) + print(f"Processed {input_filename} -> {output_filename}") + +def read_processed_csv(filename): + """ + Read a processed CSV file and return the DataFrame + """ + return pd.read_csv(filename) + +def main(): + for i in range(num_files): + input_file = f'{name}{i}.csv' + output_file = f'processed/{name}{i}_processed.csv' + + if os.path.exists(input_file): + process_csv_file(input_file, output_file) + else: + print(f"Warning: {input_file} not found") + + print("\nProcessing complete!") + +if __name__ == "__main__": + main() \ No newline at end of file diff --git a/draft_code_my_own_analysis/read_csv_to_compare_levels.py b/draft_code_my_own_analysis/read_csv_to_compare_levels.py new file mode 100644 index 0000000..c91234a --- /dev/null +++ b/draft_code_my_own_analysis/read_csv_to_compare_levels.py @@ -0,0 +1,99 @@ +# ----------------------------------------------------------------------------- +# Copyright (C) 2025 Salvador de la Torre Gonzalez +# Co-author: Luciana Melina Luque +# +# Licensed under the Apache License, Version 2.0 (the "License"); +# you may not use this file except in compliance with the License. +# You may obtain a copy of the License at +# +# http://www.apache.org/licenses/LICENSE-2.0 +# +# Unless required by applicable law or agreed to in writing, software +# distributed under the License is distributed on an "AS IS" BASIS, +# WITHOUT WARRANTIES OR CONDITIONS OF ANY KIND, either express or implied. +# See the License for the specific language governing permissions and +# limitations under the License. +# ----------------------------------------------------------------------------- + +import pandas as pd +import sys + +# Configuration flags +SAVE_TO_FILE = False # Set to True to save output to file, False to print to console +OUTPUT_FILENAME = "comparison_results_freeOxygen_freeOncoprotein_freeRandomRate.txt" # Name of the output file +num_files = 60 # Num +# Redirect output if flag is True +if SAVE_TO_FILE: + original_stdout = sys.stdout + sys.stdout = open(OUTPUT_FILENAME, 'w') + +for i in range(num_files): + # Read data from new CSV format with _processed suffix + df_mine = pd.read_csv('processed/simulation_data_mine'+str(i)+'_processed.csv') + df_paper = pd.read_csv('processed/simulation_data'+str(i)+'_processed.csv') + + # Extract values for "Mine" data + min_mine = { + 'oxygen_level': df_mine['min_oxygen_level'].iloc[0], + 'oncoproteine_level': df_mine['min_oncoproteine_level'].iloc[0], + 'base_transition_rate': df_mine['min_base_transition_rate'].iloc[0], + 'final_rate_transition': df_mine['min_final_rate_transition'].iloc[0], + 'probability_necrosis': df_mine['min_probability_necrosis'].iloc[0] + } + + mean_mine = { + 'oxygen_level': df_mine['avg_oxygen_level'].iloc[0], + 'oncoproteine_level': df_mine['avg_oncoproteine_level'].iloc[0], + 'base_transition_rate': df_mine['avg_base_transition_rate'].iloc[0], + 'final_rate_transition': df_mine['avg_final_rate_transition'].iloc[0], + 'probability_necrosis': df_mine['avg_probability_necrosis'].iloc[0] + } + + max_mine = { + 'oxygen_level': df_mine['max_oxygen_level'].iloc[0], + 'oncoproteine_level': df_mine['max_oncoproteine_level'].iloc[0], + 'base_transition_rate': df_mine['max_base_transition_rate'].iloc[0], + 'final_rate_transition': df_mine['max_final_rate_transition'].iloc[0], + 'probability_necrosis': df_mine['max_probability_necrosis'].iloc[0] + } + + # Extract values for the their model's data + min_paper = { + 'oxygen_level': df_paper['min_oxygen_level'].iloc[0], + 'oncoprotein_level': df_paper['min_oncoproteine_level'].iloc[0], + 'base_transition_rate': df_paper['min_base_transition_rate'].iloc[0], + 'final_rate_transition': df_paper['min_final_rate_transition'].iloc[0], + 'probability_necrosis': df_paper['min_probability_necrosis'].iloc[0] + } + + mean_paper = { + 'oxygen_level': df_paper['avg_oxygen_level'].iloc[0], + 'oncoprotein_level': df_paper['avg_oncoproteine_level'].iloc[0], + 'base_transition_rate': df_paper['avg_base_transition_rate'].iloc[0], + 'final_rate_transition': df_paper['avg_final_rate_transition'].iloc[0], + 'probability_necrosis': df_paper['avg_probability_necrosis'].iloc[0] + } + + max_paper = { + 'oxygen_level': df_paper['max_oxygen_level'].iloc[0], + 'oncoprotein_level': df_paper['max_oncoproteine_level'].iloc[0], + 'base_transition_rate': df_paper['max_base_transition_rate'].iloc[0], + 'final_rate_transition': df_paper['max_final_rate_transition'].iloc[0], + 'probability_necrosis': df_paper['max_probability_necrosis'].iloc[0] + } + + # Print as table + print(f"\nComparison for simulation {i}:") + print(f"{'Metric':<25} {'Mine Min':>12} {'Mine Avg':>12} {'Mine Max':>12} {'Paper Min':>12} {'Paper Avg':>12} {'Paper Max':>12}") + print("-" * 97) + print(f"{'Oxygen level':<25} {min_mine['oxygen_level']:>12.6f} {mean_mine['oxygen_level']:>12.6f} {max_mine['oxygen_level']:>12.6f} {min_paper['oxygen_level']:>12.6f} {mean_paper['oxygen_level']:>12.6f} {max_paper['oxygen_level']:>12.6f}") + print(f"{'Oncoprotein level':<25} {min_mine['oncoproteine_level']:>12.6f} {mean_mine['oncoproteine_level']:>12.6f} {max_mine['oncoproteine_level']:>12.6f} {min_paper['oncoprotein_level']:>12.6f} {mean_paper['oncoprotein_level']:>12.6f} {max_paper['oncoprotein_level']:>12.6f}") + print(f"{'Base transition rate':<25} {min_mine['base_transition_rate']:>12.6f} {mean_mine['base_transition_rate']:>12.6f} {max_mine['base_transition_rate']:>12.6f} {min_paper['base_transition_rate']:>12.6f} {mean_paper['base_transition_rate']:>12.6f} {max_paper['base_transition_rate']:>12.6f}") + print(f"{'Transition rate':<25} {min_mine['final_rate_transition']:>12.6f} {mean_mine['final_rate_transition']:>12.6f} {max_mine['final_rate_transition']:>12.6f} {min_paper['final_rate_transition']:>12.6f} {mean_paper['final_rate_transition']:>12.6f} {max_paper['final_rate_transition']:>12.6f}") + print(f"{'Necrosis probability':<25} {min_mine['probability_necrosis']:>12.6f} {mean_mine['probability_necrosis']:>12.6f} {max_mine['probability_necrosis']:>12.6f} {min_paper['probability_necrosis']:>12.6f} {mean_paper['probability_necrosis']:>12.6f} {max_paper['probability_necrosis']:>12.6f}") + +# Restore original stdout if output was redirected to file +if SAVE_TO_FILE: + sys.stdout.close() + sys.stdout = original_stdout + print(f"Output saved to {OUTPUT_FILENAME}") diff --git a/src/cart_cell.cc b/src/cart_cell.cc new file mode 100644 index 0000000..8c27ccd --- /dev/null +++ b/src/cart_cell.cc @@ -0,0 +1,298 @@ +// ----------------------------------------------------------------------------- +// Copyright (C) 2025 Salvador de la Torre Gonzalez +// Co-author: Luciana Melina Luque +// +// Licensed under the Apache License, Version 2.0 (the "License"); +// you may not use this file except in compliance with the License. +// You may obtain a copy of the License at +// +// http://www.apache.org/licenses/LICENSE-2.0 +// +// Unless required by applicable law or agreed to in writing, software +// distributed under the License is distributed on an "AS IS" BASIS, +// WITHOUT WARRANTIES OR CONDITIONS OF ANY KIND, either express or implied. +// See the License for the specific language governing permissions and +// limitations under the License. +// ----------------------------------------------------------------------------- + +#include "cart_cell.h" + +namespace bdm { + +CartCell::CartCell(const Real3& position) { + SetPosition(position); + state_ = CartCellState::kAlive; // Default state for new cells + timer_state_ = 0; // Initial timer_state for apoptotic state + + //volumes + this->SetVolume(kDefaultVolumeNewCartCell); // Set default volume + this->SetFluidFraction(kDefaultFractionFluidCartCell); // Set default fluid fraction + this->SetNuclearVolume(kDefaultVolumeNucleusCartCell); // Set default nuclear volume + + + this->oxygen_dgrid_ = Simulation::GetActive()->GetResourceManager()->GetDiffusionGrid("oxygen"); // Pointer to oxygen diffusion grid + this->immunostimulatory_factor_dgrid_ = Simulation::GetActive()->GetResourceManager()->GetDiffusionGrid("immunostimulatory_factor"); // Pointer to immunostimulatory_factor diffusion grid + // Initially not attached to a tumor cell + this->attached_to_tumor_cell_ = false; + this->attached_cell_ = nullptr; // Initialize attached cell pointer to null + + this->older_velocity_ = {0, 0, 0}; // Initialize the velocity of the cell in the previous step to zero + + + this->SetCurrentLiveTime(kAverageMaximumTimeUntillApoptosisCart); + + //Add Consumption and Secretion + this->SetOxygenConsumptionRate(kDefaultOxygenConsumption); // Set default oxygen consumption rate + this->ComputeConstantsConsumptionSecretion(); // Compute constants for all ConsumptionSecretion of Oxygen + +} + +bool CartCell::DoesCellMove() { //Cart cells can move if they are alive and not attached to a tumor cell + return (state_ == CartCellState::kAlive && !attached_to_tumor_cell_); +} + + +real_t CartCell::GetTargetTotalVolume() { + return this->GetTargetNucleusSolid() * (1 + GetTargetRelationCytoplasmNucleus()) / (1 - GetTargetFractionFluid()); +} + +// This method explicitly solves the system of exponential relaxation differential equation using a discrete +// update step. It is used to shrink the volume (and proportions) smoothly toward a desired target +// volume over time whe the cell is apoptotic. The relaxations rate controls the speed of convergence +void CartCell::ChangeVolumeExponentialRelaxationEquation(real_t relaxation_rate_cytoplasm, real_t relaxation_rate_nucleus, real_t relaxation_rate_fluid) { + // Exponential relaxation towards the target volume + real_t current_total_volume = this->GetVolume(); + real_t fluid_fraction= this->GetFluidFraction(); + real_t nuclear_volume = this->GetNuclearVolume(); + + real_t current_nuclear_solid = nuclear_volume * (1 - fluid_fraction); + real_t current_cytoplasm_solid = (current_total_volume - nuclear_volume) * (1-fluid_fraction); + + real_t current_fluid = fluid_fraction * current_total_volume; + + real_t new_fluid = current_fluid + kDtCycle* relaxation_rate_fluid * (this->GetTargetFractionFluid() * current_total_volume - current_fluid); // Update fluid volume + if (new_fluid < 0.0) { new_fluid = 0.0; }// Clamp to zero to prevent negative volumes + + real_t nuclear_fluid = new_fluid* ( nuclear_volume/ current_total_volume); + // real_t cytoplasm_fluid = new_fluid - nuclear_fluid; + + real_t nuclear_solid = current_nuclear_solid + kDtCycle * relaxation_rate_nucleus * (this->GetTargetNucleusSolid() - current_nuclear_solid); + if (nuclear_solid < 0.0) { nuclear_solid = 0.0; } // Clamp to zero to prevent negative volumes + + real_t target_cytoplasm_solid = this->GetTargetRelationCytoplasmNucleus() * this->GetTargetNucleusSolid(); + real_t cytoplasm_solid = current_cytoplasm_solid + kDtCycle * relaxation_rate_cytoplasm * (target_cytoplasm_solid - current_cytoplasm_solid); + if (cytoplasm_solid < 0.0) { cytoplasm_solid = 0.0; } // Clamp to zero to prevent negative volumes + + real_t new_total_solid= nuclear_solid + cytoplasm_solid; + + real_t total_nuclear= nuclear_solid + nuclear_fluid; + + // real_t total_cytoplasm= cytoplasm_solid + cytoplasm_fluid; + + real_t new_volume = new_total_solid + new_fluid; + + real_t new_fraction_fluid = new_fluid / (1e-16 + new_volume); // Avoid division by zero + + // Update the cell's properties + if (new_volume!= current_total_volume){//if the volume has changed + this->SetVolume(new_volume); + this->ComputeConstantsConsumptionSecretion(); // Update constants for all ConsumptionSecretion of Oxygen and Immunostimulatory Factors + } + this->SetFluidFraction(new_fraction_fluid); + this->SetNuclearVolume(total_nuclear); +} + +//compute Displacement +Real3 CartCell::CalculateDisplacement(const InteractionForce* force, + real_t squared_radius, real_t dt) { + + // std::cout << "Calculating displacement..." << std::endl;//Debug + + // const auto& tf = GetTractorForce(); + + // // the 3 types of movement that can occur + // // bool biological_translation = false; + // bool physical_translation = false; + // // bool physical_rotation = false; + + // real_t h = dt; + Real3 movement_at_next_step{0, 0, 0}; + squared_radius=kSquaredMaxDistanceNeighborsForce;//this should be chaged in a future version of BioDynaMo in order to have a cleaner code instead of hardcoding it here + + // // BIOLOGY : + // // 0) Start with tractor force : What the biology defined as active + // // movement------------ + // movement_at_next_step += tf * h;//this is actually 0 for cart cells + + // PHYSICS + // the physics force to move the point mass + Real3 translation_velocity_on_point_mass{0, 0, 0}; + + // We check for every neighbor object if they touch us, i.e. push us + // away and agreagate the velocities + + uint64_t non_zero_neighbor_forces = 0; + if (!IsStatic()) { + auto* ctxt = Simulation::GetActive()->GetExecutionContext(); + auto calculate_neighbor_forces = + L2F([&](Agent* neighbor, real_t squared_distance) { + auto neighbor_force = force->Calculate(this, neighbor); + if (neighbor_force[0] != 0 || neighbor_force[1] != 0 || + neighbor_force[2] != 0) { + non_zero_neighbor_forces++; + translation_velocity_on_point_mass[0] += neighbor_force[0]; + translation_velocity_on_point_mass[1] += neighbor_force[1]; + translation_velocity_on_point_mass[2] += neighbor_force[2]; + } + }); + ctxt->ForEachNeighbor(calculate_neighbor_forces, *this, squared_radius); + + if (non_zero_neighbor_forces > 1) { + SetStaticnessNextTimestep(false); + } + } + + // Two step Adams-Bashforth approximation of the time derivative for position + // position(t + dt) ≈ position(t) + dt * [ 1.5 * velocity(t) - 0.5 * velocity(t - dt) ] + movement_at_next_step += translation_velocity_on_point_mass * kDnew + older_velocity_ * kDold; + + //Debug + // std::ofstream file1("output/movement_at_next_step.csv", std::ios::app); + // if (file1.is_open()) { + + // // Calculate time in days, hours, minutes + // double total_minutes = Simulation::GetActive()->GetScheduler()->GetSimulatedTime(); + // // Write data to CSV file + // file1 + // << "minute"<GetScheduler()->GetSimulatedTime(); + // double modulus_total_displacement = movement_at_next_step[0] * movement_at_next_step[0] + + // movement_at_next_step[1] * movement_at_next_step[1] + + // movement_at_next_step[2] * movement_at_next_step[2]; + // modulus_total_displacement = std::sqrt(modulus_total_displacement); + // Real3 position = this->GetPosition(); + // // Write data to CSV file + // file + // << total_minutes << "," + // << position[0] << "," + // << position[1] << "," + // << position[2] << "," + // << movement_at_next_step[0] << "," + // << movement_at_next_step[1] << "," + // << movement_at_next_step[2] << "," + // << modulus_total_displacement << "\n"; + // } + // End Debug Output + + older_velocity_ = translation_velocity_on_point_mass; + + return movement_at_next_step;//Displacement +} + +//Compute new oxygen or immunostimulatory factor concentration after consumption/ secretion +real_t CartCell::ConsumeSecreteSubstance(int substance_id, real_t old_concentration) { + real_t res; + if (substance_id == oxygen_dgrid_->GetContinuumId()) { + res= (old_concentration + constant1_oxygen_) / constant2_oxygen_;// consuming oxygen + } else if (substance_id == immunostimulatory_factor_dgrid_->GetContinuumId()) { + res= old_concentration;//This point should never be reached + } else { + throw std::invalid_argument("Unknown substance id: " + std::to_string(substance_id)); + } + return res; +} + +//Recompute Consumption constants whenever oxygen_consumption_rate_ or the volume changes +void CartCell::ComputeConstantsConsumptionSecretion() { + + // constant1_= dt · (V_k / V_voxel) · S_k · ρ*_k) + // constant2_ = [1 + dt · (V_k / V_voxel) · (S_k + U_k)] + // where: + // S_k = secretion rate of cell k + // U_k = uptake (consumption) rate of cell k + // ρ*_k = saturation (target) density for secretion + // V_k = volume of the cell k + // V_voxel = volume of the voxel containing the cell + // dt = simulation time step + real_t volume = this->GetVolume(); + //compute the constants for the differential equation explicit solution: for oxygen and immunostimulatory factor + //dt*(cell_volume/voxel_volume)*quantity_secretion*substance_saturation = dt · (V_k / V_voxel) · S_k · ρ*_k) + constant1_oxygen_ = 0.; + //1 + dt*(cell_volume/voxel_volume)*(quantity_secretion + quantity_consumption ) = [1 + dt · (V_k / V_voxel) · (S_k + U_k)] + constant2_oxygen_ = 1 + kDtSubstances * (volume/kVoxelVolume) * (oxygen_consumption_rate_);// Scale by the volume of the cell in the Voxel and time step +} + +/// Main behavior executed at each simulation step +void StateControlCart::Run(Agent* agent) { + + auto* sim = Simulation::GetActive(); + if(sim->GetScheduler()->GetSimulatedSteps() % kStepsPerCycle != 0){return;}// Run only every kDtCycle minutes, fmod does not work with the type returned by GetSimulatedTime() + + if (auto* cell = dynamic_cast(agent)) { + + switch (cell->GetState()) + { + case CartCellState::kAlive:{//the cell is growing to real_t its size before mitosis + + if (sim->GetRandom()->Uniform(1.0) < kDtCycle/std::max(cell->GetCurrentLiveTime(), 1e-10)) { // Probability of death= 1/CurrentLiveTime, avoiding division by 0 + //the cell Dies + cell->SetState(CartCellState::kApoptotic); + cell->SetTimerState(0); // Reset timer_state, it should be 0 anyway + // Set target volume to 0 (the cell will shrink) + cell->SetTargetCytoplasmSolid(0.0); + cell->SetTargetNucleusSolid(0.0); + cell->SetTargetFractionFluid(0.0); + cell->SetTargetRelationCytoplasmNucleus(0.0); + //Reduce oxygen consumption + cell->SetOxygenConsumptionRate(cell->GetOxygenConsumptionRate()*kReductionConsumptionDeadCells); + cell->ComputeConstantsConsumptionSecretion(); // Update constants for all Consumption of oxygen + if (cell->IsAttachedToTumorCell()) {// Detach from tumor cell if it was attached + cell->GetAttachedCell()->SetAttachedToCart(false); + cell->SetAttachedCell(nullptr); + cell->SetAttachedToTumorCell(false); + } + } else{ + cell->SetCurrentLiveTime((cell->GetCurrentLiveTime() - (kDtCycle*kDtCycle)));//decrease current life time + } + break; + } + case CartCellState::kApoptotic:{ + cell->SetTimerState(cell->GetTimerState() + kDtCycle); + + cell->ChangeVolumeExponentialRelaxationEquation(kVolumeRelaxarionRateCytoplasmApoptotic, + kVolumeRelaxarionRateNucleusApoptotic, + kVolumeRelaxarionRateFluidApoptotic); + + if (kTimeApoptosis < cell->GetTimerState()) { // If the timer_state exceeds the time to transition (this is a fixed duration transition) + //remove the cell from the simulation + auto* ctxt = sim->GetExecutionContext(); + ctxt->RemoveAgent(agent->GetUid()); + } + break; + } + default:{ + Log::Error("StateControlCart::Run", "Unknown CartCellState"); + break; + } + } + } else { + Log::Error("StateControlCart::Run", "SimObject is not a CartCell"); + } +} + +} // namespace bdm \ No newline at end of file diff --git a/src/cart_cell.h b/src/cart_cell.h new file mode 100644 index 0000000..a4c0b00 --- /dev/null +++ b/src/cart_cell.h @@ -0,0 +1,157 @@ +// ----------------------------------------------------------------------------- +// Copyright (C) 2025 Salvador de la Torre Gonzalez +// Co-author: Luciana Melina Luque +// +// Licensed under the Apache License, Version 2.0 (the "License"); +// you may not use this file except in compliance with the License. +// You may obtain a copy of the License at +// +// http://www.apache.org/licenses/LICENSE-2.0 +// +// Unless required by applicable law or agreed to in writing, software +// distributed under the License is distributed on an "AS IS" BASIS, +// WITHOUT WARRANTIES OR CONDITIONS OF ANY KIND, either express or implied. +// See the License for the specific language governing permissions and +// limitations under the License. +// ----------------------------------------------------------------------------- + +#ifndef CART_CELL_H_ +#define CART_CELL_H_ + +#include "biodynamo.h" +#include "core/util/log.h" +#include "core/util/root.h" +#include "utils_aux.h" +#include "hyperparams.h" +#include "tumor_cell.h" + +namespace bdm { + + +// ───────────────────────────── +// CartCellState Enum Definition +// ───────────────────────────── +enum class CartCellState : int { + //living cell + kAlive=0, + + // Apoptotic schedule of a apoptotic cell: controled death + kApoptotic=1 // Apoptotic phase (the cell is undergoing programmed cell death characterized by cell shrinkage) +}; + +// ───────────────────────────── +// CartCell Class Definition +// ───────────────────────────── +class CartCell : public Cell { + BDM_AGENT_HEADER(CartCell, Cell, 1); + + public: + CartCell() {} + explicit CartCell(const Real3& position); + virtual ~CartCell() {} + + //Getters and Setters + void SetState(CartCellState state) { state_ = state; } + CartCellState GetState() const { return state_; } + + void SetTimerState(int timer_state) { timer_state_ = timer_state; } + int GetTimerState() const { return timer_state_; } + + void SetFluidFraction(real_t fluid_fraction) { fluid_fraction_ = fluid_fraction; } + real_t GetFluidFraction() const { return fluid_fraction_; } + + void SetNuclearVolume(real_t nuclear_volume) { nuclear_volume_ = nuclear_volume; } + real_t GetNuclearVolume() const { return nuclear_volume_; } + + void SetTargetCytoplasmSolid(real_t target_cytoplasm_solid) { target_cytoplasm_solid_ = target_cytoplasm_solid; } + real_t GetTargetCytoplasmSolid() const { return target_cytoplasm_solid_; } + + void SetTargetNucleusSolid(real_t target_nucleus_solid) { target_nucleus_solid_ = target_nucleus_solid; } + real_t GetTargetNucleusSolid() const { return target_nucleus_solid_; } + + void SetTargetFractionFluid(real_t target_fraction_fluid) { target_fraction_fluid_ = target_fraction_fluid; } + real_t GetTargetFractionFluid() const { return target_fraction_fluid_; } + + void SetTargetRelationCytoplasmNucleus(real_t target_relation_cytoplasm_nucleus) { target_relation_cytoplasm_nucleus_ = target_relation_cytoplasm_nucleus; } + real_t GetTargetRelationCytoplasmNucleus() const { return target_relation_cytoplasm_nucleus_; } + + void SetAttachedToTumorCell(bool attached) { attached_to_tumor_cell_ = attached; } + bool IsAttachedToTumorCell() const { return attached_to_tumor_cell_; } + + Real3 GetOlderVelocity() const { return older_velocity_; } + void SetOlderVelocity(const Real3& velocity) { older_velocity_ = velocity; } + + real_t GetOxygenConsumptionRate() const { return oxygen_consumption_rate_; } + void SetOxygenConsumptionRate(real_t rate) { oxygen_consumption_rate_ = rate; } + + real_t GetCurrentLiveTime() const { return current_live_time_; } + void SetCurrentLiveTime(real_t time) { current_live_time_ = time; } + + TumorCell* GetAttachedCell() const { return attached_cell_; } + void SetAttachedCell(TumorCell* cell) { attached_cell_ = cell; } + + //returns whether the cell moves by its own + bool DoesCellMove(); + + real_t GetTargetTotalVolume(); + + /// Returns the diffusion grid for oxygen + DiffusionGrid* GetOxygenDiffusionGrid() const { return oxygen_dgrid_; } + /// Returns the diffusion grid for immunostimulatory factors + DiffusionGrid* GetImmunostimulatoryFactorDiffusionGrid() const { return immunostimulatory_factor_dgrid_; } + + // This method explicitly solves the system of exponential relaxation differential equation using a discrete + // update step. It is used to grow or shrink the volume (and proportions) smoothly toward a desired target + // volume over time. The relaxations rate controls the speed of convergence and dt=1 (the time_step). + void ChangeVolumeExponentialRelaxationEquation(real_t relaxation_rate_cytoplasm, real_t relaxation_rate_nucleus, real_t relaxation_rate_fluid); + + //compute Displacement + Real3 CalculateDisplacement(const InteractionForce* force, + real_t squared_radius, real_t dt) override; + + //Compute new oxygen or immunostimulatory factor concentration after consumption/ secretion + real_t ConsumeSecreteSubstance(int substance_id, real_t old_concentration); + + //constants after cell's change of volume or quantities + void ComputeConstantsConsumptionSecretion(); + + //Attributes + private: + CartCellState state_; // Current state of the cart cell + int timer_state_;//timer to track time in the current state (in minutes): used for apoptotic state + DiffusionGrid* oxygen_dgrid_; // Pointer to the oxygen diffusion grid + DiffusionGrid* immunostimulatory_factor_dgrid_; // Pointer to the immunostimulatory_factor diffusion grid + bool attached_to_tumor_cell_; // Flag to indicate if the cell is attached to a tumor cell + real_t current_live_time_; // Current time untill apoptosis + //volumes + real_t fluid_fraction_; + real_t nuclear_volume_; // Volume of the nucleus + // Target volume for shrinking apoptotic cells. The change of volume follows a exponential relaxation equation with this target volume + real_t target_cytoplasm_solid_; + real_t target_nucleus_solid_; + real_t target_fraction_fluid_; + real_t target_relation_cytoplasm_nucleus_; + Real3 older_velocity_; // Velocity of the cell in the previous step + real_t oxygen_consumption_rate_; + real_t immunostimulatory_factor_secretion_rate_; + //constants for ConsumptionSecretion differential equation solution + real_t constant1_oxygen_; + real_t constant2_oxygen_; + TumorCell* attached_cell_; // Pointer to the attached tumor cell +}; + +// ───────────────────────────── +// Behavior: StateControlCart +// ───────────────────────────── +struct StateControlCart : public Behavior { + BDM_BEHAVIOR_HEADER(StateControlCart, Behavior, 1); + + StateControlCart() { AlwaysCopyToNew(); } + virtual ~StateControlCart() {} + + void Run(Agent* agent) override; +}; + +} // namespace bdm + +#endif // CART_CELL_H_ diff --git a/src/cart_cell_draft.h b/src/cart_cell_draft.h new file mode 100644 index 0000000..6d151f9 --- /dev/null +++ b/src/cart_cell_draft.h @@ -0,0 +1,422 @@ +// ----------------------------------------------------------------------------- +// Copyright (C) 2025 Salvador de la Torre Gonzalez +// Co-author: Luciana Melina Luque +// +// Licensed under the Apache License, Version 2.0 (the "License"); +// you may not use this file except in compliance with the License. +// You may obtain a copy of the License at +// +// http://www.apache.org/licenses/LICENSE-2.0 +// +// Unless required by applicable law or agreed to in writing, software +// distributed under the License is distributed on an "AS IS" BASIS, +// WITHOUT WARRANTIES OR CONDITIONS OF ANY KIND, either express or implied. +// See the License for the specific language governing permissions and +// limitations under the License. +// ----------------------------------------------------------------------------- + +// #ifndef CART_CELL_H_ +// #define CART_CELL_H_ + +// #include "biodynamo.h" +// #include "core/util/log.h" +// #include "core/util/root.h" +// #include "utils_aux.h" +// #include "hyperparams.h" +// #include "tumor_cell.h" + +// namespace bdm { + + +// enum class FasesKi67 : int {// Enum representing the different proliferation phases of the protein Ki67 expression in a cell +// kKi67Negative = 0, // Ki67 negative phase +// kKi67PositivePremitotic = 1, // Ki67 positive phase before mitosis +// kKi67PositivePostmitotic = 2, // Ki67 positive phase just after mitosis, returning to kNegative +// }; + + + +// // ───────────────────────────── +// // CartCellState Enum Definition +// // ───────────────────────────── +// /// Enum representing the different states of a tumor cell +// enum class CartCellState : int { +// kActivated = 0, +// kApoptotic = 1, +// kDead = 2 +// }; + + +// // ───────────────────────────── +// // CartCell Class Definition +// // ───────────────────────────── +// class CartCell : public Cell {//CHANGE: consumes 1 oxygen per minute //CHANGE: Induces apoptosis include and copy code form tumor_cell entry apoptosis +// BDM_AGENT_HEADER(CartCell, Cell, 1); +// public: +// CartCell() {} +// explicit CartCell(const real_t3& position) { +// // Initialize the cell with a given position +// SetPosition(position); +// state_ = CartCellState::kActivated; // Default state for new cells +// remaining_life_time_ = SamplePositiveGaussian(kAverageLifeTimeCartCell, kStandardDeviationLifeTimeCartCell); //random time following a gaussian distribution +// timer_last_division_=0; +// timer_kill_trial_=kTimeKillTrialCart; //new cells are ready to kill +// exhaustion_level_=0; +// suppression_level_=0; + + +// recognized_antigens_= SampleAntigenPattern(kRecognizedAntigensCart); // Sample a random antigen pattern from the predefined antigen patterns for CAR-T cells +// this->oxygen_dgrid_ = Simulation::GetActive()->GetResourceManager()->GetDiffusionGrid("oxygen"); // Pointer to oxygen diffusion grid +// this->SetDiameter(kDiameterCartCell); // Set default diameter +// this->SetMass(this->GetVolume() * kCartCellDensity); // Set initial mass +// } +// virtual ~CartCell() {} + +// /// Called when a new agent is created (e.g., after cell division) +// void Initialize(const NewAgentEvent& event) override { +// Base::Initialize(event); + +// if (auto* mother = dynamic_cast(event.existing_agent)) { +// if (event.GetUid() == CellDivisionEvent::kUid) { +// // Initialize a new CartCell as a daughter of the mother CartCell +// state_ = CartCellState::kActivated; // Default state for new cells +// remaining_life_time_ = SamplePositiveGaussian(kAverageLifeTimeCartCell, kStandardDeviationLifeTimeCartCell); //random time following a gaussian distribution +// timer_last_division_=0; +// timer_kill_trial_=mother->timer_kill_trial_; // Inherit the timer for kill trials from the mother cell +// exhaustion_level_=0; +// suppression_level_=0; +// recognized_antigens_= mother->recognized_antigens_;//recognizes the same antigens as the mother cell +// this->oxygen_dgrid_ = mother->oxygen_dgrid_; // Pointer to oxygen diffusion grid +// // this->nutrients_dgrid_ = mother->nutrients_dgrid_; // Pointer to nutrients diffusion grid +// this->SetDiameter(kDiameterCartCell); // Set default diameter for daughter cell (avoid numerical instabilities) +// this->SetMass(this->GetVolume() * kCartCellDensity); // Set initial mass +// mother->SetMass(mother->GetVolume()*kCartCellDensity); +// } +// } + +// } + +// void SetState(CartCellState state) { state_ = state; } +// CartCellState GetState() const { return state_; } + +// void SetExpresedAntigens(std::map recognized_antigens) { recognized_antigens_ = recognized_antigens; } +// std::map GetExpresedAntigens() const { return recognized_antigens_; } + +// void SetRecognizedAntigens(const std::map& recognized_antigens) { recognized_antigens_ = recognized_antigens; } +// std::map GetRecognizedAntigens() const { return recognized_antigens_; } + +// void SetOxygenDGrid(DiffusionGrid* oxygen_dgrid) { oxygen_dgrid_ = oxygen_dgrid; } +// DiffusionGrid* GetOxygenDGrid() const { return oxygen_dgrid_; } + + +// void SetRemainingLifeTime(int remaining_life_time) {remaining_life_time_ = remaining_life_time;} +// int GetRemainingLifeTime() const { return remaining_life_time_; } + +// void SetTimerLastDivision(int timer_last_division) { timer_last_division_ = timer_last_division; } +// int GetTimerLastDivision() const { return timer_last_division_; } + +// void SetTimerKillTrial(int timer_kill_trial) { timer_kill_trial_ = timer_kill_trial; } +// int GetTimerKillTrial() const { return timer_kill_trial_; } + +// void SetTimerState(int timer_state) { timer_state_ = timer_state; } +// int GetTimerState() const { return timer_state_; } + +// void SetExhaustionLevel(real_t exhaustion_level) { exhaustion_level_ = exhaustion_level; } +// real_t GetExhaustionLevel() const { return exhaustion_level_; } + +// void SetSuppressionLevel(real_t suppression_level) { suppression_level_ = suppression_level; } +// real_t GetSuppressionLevel() const { return suppression_level_; } + +// void SetTimerUnderSuppression(int timer_under_suppression) { timer_under_suppression_ = timer_under_suppression; } +// int GetTimerUnderSuppression() const { return timer_under_suppression_; } + + +// /// Returns the diffusion grid for oxygen +// DiffusionGrid* GetOxygenDiffusionGrid() const { return oxygen_dgrid_; } +// /// Returns the diffusion grid for nutrients +// // DiffusionGrid* GetNutrientsDiffusionGrid() const { return nutrients_dgrid_; } + + +// private: +// CartCellState state_; +// int remaining_life_time_;//remaining steps life time of the cell. FIrst used to turn the cell apoptotic, then to remove it from the simulation +// int timer_last_division_; // Timer since the last division +// int timer_kill_trial_; // Timer sice the last kill trial +// int timer_state_; // Timer for the current state (used for apoptosis and dead states) +// real_t exhaustion_level_; // CAR-T exhaustion level (Permanent damage) +// real_t suppression_level_; // CAR-T suppression level (Cyotokines temporal damage) +// int timer_under_suppression_; // Counter of steps under high suppression +// std::map recognized_antigens_; // Recognized antigens +// DiffusionGrid* oxygen_dgrid_; // Pointer to the oxygen diffusion grid +// // DiffusionGrid* nutrients_dgrid_; // Pointer to the nutrients diffusion grid +// //CHANGE add cytokines grids +// }; + +// // ───────────────────────────── +// // Behavior: StateControlGrowProliferate +// // ───────────────────────────── +// struct StateControlAndCartDivision : public Behavior { +// BDM_BEHAVIOR_HEADER(StateControlAndCartDivision, Behavior, 1); + +// StateControlAndCartDivision() { AlwaysCopyToNew(); } +// virtual ~StateControlAndCartDivision() {} + +// /// Main behavior executed at each simulation step +// void Run(Agent* agent) override { +// auto* sim = Simulation::GetActive(); +// auto* random = sim->GetRandom(); + +// if (auto* cell = dynamic_cast(agent)) { + +// // Nutrients and oxygen levels +// real_t3 current_position = cell->GetPosition(); +// auto* oxygen_dgrid = cell->GetOxygenDiffusionGrid(); // Pointer to the oxygen diffusion grid +// // auto* nutrients_dgrid = cell->GetNutrientsDiffusionGrid(); // Pointer to the nutrients diffusion grid +// real_t oxygen_level = oxygen_dgrid->GetValue(current_position); +// // real_t nutrients_level = nutrients_dgrid->GetValue(current_position); +// // Get the cytokines levels CHANGE + + +// //compute Suppression level +// real_t suppression_level =0.;// f(cytokines) //CHANGE +// //Increase suppression level based on oxygen and nutrients levels +// if (oxygen_level < kThresholdOxygenLevelSuppression) { suppression_level += 0.1;} +// // if (nutrients_level < kThresholdNutrientsLevelSuppression) { suppression_level += 0.1; } +// cell->SetSuppressionLevel(suppression_level); + +// //Exaustion level from suppression level +// if (suppression_level > kThresholdHighSuppression) { +// cell->SetTimerUnderSuppression(cell->GetTimerUnderSuppression() + 1); // Increment timer under suppression +// if (cell->GetTimerUnderSuppression() >= kThresholdStepsUnderHighSuppression) { // If under suppression for too long +// real_t previous_exhaustion_level = cell->GetExhaustionLevel(); +// real_t diff = suppression_level- kThresholdHighSuppression; // Difference from the threshold +// cell->SetExhaustionLevel(std::min(1.0, previous_exhaustion_level+ SamplePositiveGaussian(diff*diff,0.005))); // Increase exhaustion level based on suppression level +// } +// } else { +// cell->SetTimerUnderSuppression(0); // Reset timer under suppression +// } +// //CHANGE increase exhaustion level based on certain cytokines that increase it directly + +// switch (cell->GetState()) +// { +// case CartCellState::kActivated: // Cell is in nomral activated state +// cell->SetTimerLastDivision(cell->GetTimerLastDivision() + 1); // Increment timer_last_division +// if (cell->GetRemainingLifeTime() <= 0) { +// cell->SetState(CartCellState::kApoptotic); // Transition to apoptotic state +// cell->SetTimerState(0); // Reset timer_state +// } else { +// // Decrease remaining life time +// auto aux_exp=std::exp(3*cell->GetExhaustionLevel()); +// real_t decrement= SamplePositiveGaussian(aux_exp, 0.2*aux_exp); // Decrease life time based on exhaustion level +// cell->SetRemainingLifeTime(cell->GetRemainingLifeTime() - decrement); +// // Check if the cell can divide +// if (cell->GetTimerLastDivision() >= kTimeLastDivisionCartCell) { +// if (random->Uniform(0.0, 1.0) < kBaseProbabilityDivideCartCell) {//CHANGE: probability needs to depend on the nutrients and cytokines levels +// cell->SetTimerLastDivision(0); // Reset timer_last_division +// // Create a new daughter cell +// cell->SetDiameter(std::cbrt(2.0) *kDiameterCartCell); // adjust the diameter so that the volume of the two new cells is conserved is the same as before division +// cell->Divide(); // Perform cell division +// cell->SetDiameter(kDiameterCartCell); // Reset diameter to original value to avoid insteabilities +// } +// } +// } +// break; +// case CartCellState::kApoptotic: +// // Apoptosis induced cells die after a certain time +// cell->SetTimerState(cell->GetTimerState() + 1); // Increase timer_state to track duration +// if (cell->GetTimerState() >= kTimeApoptosisInducedCart ) { +// cell->SetState(CartCellState::kDead); +// cell->SetTimerState(0); // Reset timer_state +// } +// break; +// case CartCellState::kDead: +// cell->SetTimerState(cell->GetTimerState() + 1); // Increase timer_state to track duration +// if (cell->GetTimerState() >= kTimeDeadCart ) { +// //remove the cell from the simulation +// auto* ctxt = sim->GetExecutionContext(); +// ctxt->RemoveAgent(agent->GetUid()); +// } +// break; +// default: +// Log::Error("StateControlGrowProliferate::Run", "Unknown CartCellState"); +// break; +// } +// } else { +// Log::Error("StateControlGrowProliferate::Run", "SimObject is not a CartCell"); +// } +// } +// }; + +// struct CartMigration : public Behavior{ +// BDM_BEHAVIOR_HEADER(CartMigration, Behavior, 1); + +// CartMigration() { AlwaysCopyToNew(); } +// virtual ~CartMigration() {} + +// /// Main behavior executed at each simulation step +// void Run(Agent* agent) override { +// auto* sim = Simulation::GetActive(); +// auto* random = sim->GetRandom(); +// if (auto* cell = dynamic_cast(agent)) { + +// real_t3 current_position = cell->GetPosition(); + +// // auto* oxygen_dgrid = cell->GetOxygenDiffusionGrid(); //CHANGE: get cytokines grids +// real_t speed = kMaxSpeedCartCell; // Default speed + +// // Adjust speed based on suppression and exhaustion levels +// // CHANGE this equation +// speed = kMaxSpeedCartCell * (0.5*(1-cell->GetSuppressionLevel()) + 0.5*(1-cell->GetExhaustionLevel())); + + +// Real3 direction; +// switch (cell->GetState()) +// { +// case CartCellState::kActivated: +// //the speed should is reduced in hypoxic conditions because of the lack of oxygen in the equation used prevously +// // dcytokines->GetGradient(current_position, &direction); // returns normalized gradient towards the cytokines source CHANGE +// direction = {// Move randomly, CHANGE: this should be a gradient towards the cytokines source +// random->Uniform(-0.1, 0.1), +// random->Uniform(-0.1, 0.1), +// random->Uniform(-0.1, 0.1)};; +// break; +// case CartCellState::kApoptotic: +// // Apoptosis induced cells may not move or move less +// speed = speed * 0.2; // Further reduced speed for apoptosis induced cells +// direction = { +// random->Uniform(-0.1, 0.1), +// random->Uniform(-0.1, 0.1), +// random->Uniform(-0.1, 0.1)}; +// break; +// case CartCellState::kDead: +// // Dead cells do not move +// return; +// default: +// Log::Error("CartMigration::Run", "Unknown CartCellState"); +// return; +// } + +// // Update the cell's position +// cell->SetTractorForce(direction * speed); +// } +// } +// }; + +// // struct CartReleaseChemicals : public Behavior { +// // BDM_BEHAVIOR_HEADER(CartReleaseChemicals, Behavior, 1); + +// // CartReleaseChemicals() { AlwaysCopyToNew(); } +// // virtual ~CartReleaseChemicals() {} + +// // /// Main behavior executed at each simulation step +// // void Run(Agent* agent) override { +// // auto* sim = Simulation::GetActive(); +// // auto* random = sim->GetRandom(); +// // //nutrients= sim->GetEnvironment()->GetNutrients(); //CHANGE: Get the current nutrients level from the environment and effect the chemicals released +// // if (auto* cell = dynamic_cast(agent)) { + +// // switch (cell->GetState()) +// // { +// // case CartCellState::kProliferative: + +// // break; +// // case CartCellState::kGrowing: + +// // break; +// // case CartCellState::kHypoxic: + +// // break; +// // case CartCellState::kApoptosisInduced: + +// // break; +// // case CartCellState::kDead: +// // return; +// // default: +// // Log::Error("CartReleaseChemicals::Run", "Unknown CartCellState"); +// // return; +// // } +// // } +// // } +// // }; + +// class CartAttackBehavior : public Behavior { +// BDM_BEHAVIOR_HEADER(CartAttackBehavior, Behavior, 1); + +// public: +// CartAttackBehavior() { AlwaysCopyToNew(); } +// virtual ~CartAttackBehavior() {} + +// void Run(Agent* agent) override { +// if (auto* cart = dynamic_cast(agent)) { +// cart->SetTimerKillTrial(cart->GetTimerKillTrial() + 1); // Increase the timer for kill trials +// if (cart->GetState() == CartCellState::kActivated && cart->GetTimerKillTrial() >= kTimeKillTrialCart){// If the cell is activated and ready to attack +// auto* sim= Simulation::GetActive(); +// auto* random = sim->GetRandom(); + +// auto* ctxt = sim->GetExecutionContext(); +// const auto& cart_pos = cart->GetPosition(); +// real_t radius = (cart->GetDiameter() + kMaxDiameterTumorCell) * 0.5;//contact distance with tumor cells +// real_t squared_radius = radius * radius + 0.01; // Add a small value to avoid numerical issues + +// TumorCell* closest_target = nullptr; +// real_t min_sq_dist = std::numeric_limits::max(); + +// // Lambda to find the closest alive tumor cell within contact distance +// auto lambda_neighbors = [&](Agent* neighbor, real_t squared_distance) { +// if (auto* tumor = dynamic_cast(neighbor)) { +// real_t contact_dist = (cart->GetDiameter() + tumor->GetDiameter()) * 0.5; +// // Find the closest target within contact distance(+ epsilon) and exclude dead tumor cells (apoptotic are included as possible targets) +// auto recognized_antigens = cart->GetRecognizedAntigens(); +// // auto tumor_antigens = tumor->GetExpressedAntigens(); + +// bool recognized_as_target = false; + +// // Check if CART recognizes the tumor cell's antigens to target it +// for (const auto& pair : recognized_antigens) { +// const std::string& antigen = pair.first; +// bool is_recognized = pair.second; +// if (is_recognized) { +// auto it = tumor_antigens.find(antigen); +// real_t prob = (it != tumor_antigens.end()) ? it->second : 0.0; +// if (random->Uniform(0.0, 1.0) < prob) { +// recognized_as_target = true;//if it detects at any of the antigens, the tumor cell is recognized as a target +// break; +// } +// } +// } + +// if (recognized_as_target && // If the tumor cell is recognized as a target to be killed +// squared_distance <= contact_dist * contact_dist + 0.01 && // Ensure both cells are within contact distance( + epsilon for numerical stability) +// squared_distance < min_sq_dist //&&// Looking for the closest target +// // tumor->GetState() != TumorCellState::kDead +// ) {// the target must not be dead (it can be apoptotic though) +// closest_target = tumor; +// min_sq_dist = squared_distance; +// } +// } +// }; + +// // sim->GetEnvironment()->ForcedUpdate(); + +// // auto functor = bdm::L2F(lambda_neighbors); +// // ctxt->ForEachNeighbor(functor, cart_pos, squared_radius); + +// // if (closest_target) {//there is a target to attack +// // cart->SetTimerKillTrial(0); // Reset the timer for kill trials after an attack +// // // Attack the closest target + +// // real_t prob = (1-closest_target->GetBaseImmunogenicity())*(0.7*(1-cart->GetSuppressionLevel())+0.3*(1-cart->GetExhaustionLevel())); //CHANGE: make a kill probability dependent of suppression and exhaustion levels and tumor immunogenicity +// // if (random->Uniform(0.0, 1.0) < prob) { +// // closest_target->SetState(TumorCellState::kApoptosisInduced); +// // closest_target->SetTimerState(0); // Reset the timer for the target cell +// // } +// // } +// } +// } +// } +// }; + + +// } // namespace bdm + +// #endif // CART_CELL_H_ diff --git a/src/cart_tumor.cc b/src/cart_tumor.cc new file mode 100644 index 0000000..4df4cd6 --- /dev/null +++ b/src/cart_tumor.cc @@ -0,0 +1,16 @@ +// ----------------------------------------------------------------------------- +// +// Copyright (C) 2021 CERN & University of Surrey for the benefit of the +// BioDynaMo collaboration. All Rights Reserved. +// +// Licensed under the Apache License, Version 2.0 (the "License"); +// you may not use this file except in compliance with the License. +// +// See the LICENSE file distributed with this work for details. +// See the NOTICE file distributed with this work for additional information +// regarding copyright ownership. +// +// ----------------------------------------------------------------------------- +#include "cart_tumor.h" + +int main(int argc, const char** argv) { return bdm::Simulate(argc, argv); } diff --git a/src/cart_tumor.h b/src/cart_tumor.h new file mode 100644 index 0000000..0c1d95d --- /dev/null +++ b/src/cart_tumor.h @@ -0,0 +1,144 @@ +// ----------------------------------------------------------------------------- +// Copyright (C) 2025 Salvador de la Torre Gonzalez +// Co-author: Luciana Melina Luque +// +// Licensed under the Apache License, Version 2.0 (the "License"); +// you may not use this file except in compliance with the License. +// You may obtain a copy of the License at +// +// http://www.apache.org/licenses/LICENSE-2.0 +// +// Unless required by applicable law or agreed to in writing, software +// distributed under the License is distributed on an "AS IS" BASIS, +// WITHOUT WARRANTIES OR CONDITIONS OF ANY KIND, either express or implied. +// See the License for the specific language governing permissions and +// limitations under the License. +// ----------------------------------------------------------------------------- + +#ifndef CART_TUMOR_H_ +#define CART_TUMOR_H_ + +#include "biodynamo.h" +#include "tumor_cell.h" +#include "cart_cell.h" +#include "diffusion_thomas_algorithm.h" +#include "forces_tumor_cart.h" +#include "core/environment/uniform_grid_environment.h" +#include "core/operation/mechanical_forces_op.h" +namespace bdm { + + + +// List the extracellular substances +enum Substances { kImmunostimulatoryFactor, kOxygen }; + +inline int Simulate(int argc, const char** argv) { + + + + // Set simulation bounds + auto set_param = [](Param* param) { + param->random_seed = kSeed; // Set a fixed random seed for reproducibility + param->bound_space = Param::BoundSpaceMode::kTorus;// Periodic boundary + param->min_bound = -kBoundedSpaceLength / 2; + param->max_bound = kBoundedSpaceLength/2; // Cube of 1000x1000x1000 centered at origin + param->simulation_time_step = kDt; + }; + + + + Simulation simulation(argc, argv, set_param); + auto* ctxt = simulation.GetExecutionContext(); + + //Change Forces + auto* scheduler = simulation.GetScheduler(); + + auto* op = scheduler->GetOps("mechanical forces")[0]; + op->GetImplementation()->SetInteractionForce(new InteractionVelocity()); + + auto* env = dynamic_cast(Simulation::GetActive()->GetEnvironment()); + env->SetBoxLength(kLengthBoxMechanics); // Fix the box length for the uniform grid environment + + // ─────────────────────────────────────── + // Define Substances + // ─────────────────────────────────────── + auto* rm = Simulation::GetActive()->GetResourceManager(); + + // Oxygen + // substance_id, name, diffusion_coefficient, decay_constant, resolution, time_step + auto* oxygen_grid = new DiffusionThomasAlgorithm( + kOxygen, "oxygen", + kDiffusionCoefficientOxygen,// 100000 micrometers^2/minute + kDecayConstantOxygen, // 0.1 minutes^-1 + kResolutionGridSubstances, + kDtSubstances, + true); // true indicates Dirichlet border conditions + rm->AddContinuum(oxygen_grid); + + // Immunostimulatory Factor + // substance_id, name, diffusion_coefficient, decay_constant, resolution + auto* immunostimulatory_factor_grid = new DiffusionThomasAlgorithm( + kImmunostimulatoryFactor, "immunostimulatory_factor", + kDiffusionCoefficientImmunostimulatoryFactor, // 1000 micrometers^2/minute + kDecayConstantImmunostimulatoryFactor, // 0.016 minutes^-1 + kResolutionGridSubstances, + kDtSubstances, + false); // false indicates Neumann border conditions + rm->AddContinuum(immunostimulatory_factor_grid); + + + + // Boundary Conditions Dirichlet: simulating absorption or total loss at the boundaries of the space. + //Oxygen comming from the borders (capillary vessels) + ModelInitializer::AddBoundaryConditions( + kOxygen, BoundaryConditionType::kDirichlet, + std::make_unique(kOxygenReferenceLevel));// kOxygenReferenceLevel mmHg is the physiological level of oxygen in tissues, o2 saturation is 100% at this level + + //This is useless now but should be added this way in a future version of BioDynaMo + ModelInitializer::AddBoundaryConditions( + kImmunostimulatoryFactor, BoundaryConditionType::kNeumann, nullptr); + + //Initialize oxygen voxels + ModelInitializer::InitializeSubstance(kOxygen, [](real_t x, real_t y, real_t z) { + return kInitialOxygenLevel; // Set all voxels to kInitialOxygenLevel mmHg + }); + + // ─────────────────────────────────────── + // One spherical tumor of radius kInitialRadiusTumor in the center of the simulation space + // ─────────────────────────────────────── + std::vector positions=CreateSphereOfTumorCells(kInitialRadiusTumor);//positions of the cells + // positions={{0.1,0.1,0.1},{19.9,19.9,19.9}};//Debug {0.1,0.1,0.1},{19.9,19.9,19.9} + for (const auto& pos : positions) { + TumorCell* tumor_cell = new TumorCell(pos); + tumor_cell->AddBehavior(new StateControlGrowProliferate()); + ctxt->AddAgent(tumor_cell); + } + + + // //debug + // CartCell* cart_cell = new CartCell({0.,0.,0.}); + // cart_cell->AddBehavior(new StateControlCart()); + // ctxt->AddAgent(cart_cell); + + + + + //OutputSummary operation + auto* summary_op = new bdm::Operation("OutputSummary"); + summary_op->frequency_ = kOutputCsvInterval; // Set the interval for outputting CSV files + summary_op->AddOperationImpl(bdm::kCpu, new bdm::OutputSummary()); + scheduler->ScheduleOp(summary_op); + + + + // ─────────────────────────────────────── + // Run simulation + // ─────────────────────────────────────── + scheduler->Simulate(1+kTotalMinutesToSimulate/kDt);//simulate kTotalMinutesToSimulate minutes including the last minute + std::cout << "Simulation completed successfully!" << std::endl; + return 0; +} + +} // namespace bdm + +#endif // CART_TUMOR_H_ diff --git a/src/diffusion_thomas_algorithm.cc b/src/diffusion_thomas_algorithm.cc new file mode 100644 index 0000000..c0f64b7 --- /dev/null +++ b/src/diffusion_thomas_algorithm.cc @@ -0,0 +1,305 @@ +// ----------------------------------------------------------------------------- +// Copyright (C) 2025 Salvador de la Torre Gonzalez +// Co-author: Luciana Melina Luque +// +// Licensed under the Apache License, Version 2.0 (the "License"); +// you may not use this file except in compliance with the License. +// You may obtain a copy of the License at +// +// http://www.apache.org/licenses/LICENSE-2.0 +// +// Unless required by applicable law or agreed to in writing, software +// distributed under the License is distributed on an "AS IS" BASIS, +// WITHOUT WARRANTIES OR CONDITIONS OF ANY KIND, either express or implied. +// See the License for the specific language governing permissions and +// limitations under the License. +// ----------------------------------------------------------------------------- + +#include "diffusion_thomas_algorithm.h" +#include "core/resource_manager.h" +#include "core/simulation.h" +#include "hyperparams.h" +#include "tumor_cell.h" + +namespace bdm { + + +DiffusionThomasAlgorithm::DiffusionThomasAlgorithm(int substance_id, std::string substance_name, real_t dc, real_t mu,int resolution, real_t dt, bool dirichlet_border)//time step + : DiffusionGrid(substance_id, std::move(substance_name), dc, mu, resolution) { + + this->SetTimeStep(dt); + resolution_ = GetResolution();//num of voxels in each direction + d_space_ = kBoundedSpaceLength / resolution_; // Voxel side length in micrometers + + dirichlet_border_ = dirichlet_border; + + jump_i_ = 1; + jump_j_ = resolution_; + jump_k_ = resolution_ * resolution_; + + constant1_ = dc;//all diffusion coefficients are the same for all directions (isotropic) + constant1_ *=dt/(d_space_ * d_space_); + constant1a_ = -constant1_; + + constant2_ = mu;//decay constant + constant2_ *= dt / 3.0; // Divide by 3 for the three directions + + constant3_ = 1.0 + 2 * constant1_ + constant2_; + constant3a_ = 1.0 + constant1_ + constant2_; + + // Initialize the denominators and coefficients for the Thomas algorithm + + thomas_c_x_ = std::vector(resolution_, constant1a_); + thomas_denom_x_ = std::vector(resolution_, constant3_); + InitializeThomasAlgorithmVectors(thomas_denom_x_, thomas_c_x_); + + thomas_c_y_ = std::vector(resolution_, constant1a_); + thomas_denom_y_ = std::vector(resolution_, constant3_); + InitializeThomasAlgorithmVectors(thomas_denom_y_, thomas_c_y_); + + thomas_c_z_ = std::vector(resolution_, constant1a_); + thomas_denom_z_ = std::vector(resolution_, constant3_); + InitializeThomasAlgorithmVectors(thomas_denom_z_, thomas_c_z_); + + // std::cout << "thomas_c: " << thomas_c_z_[0] << " " << thomas_c_z_[1] << " " << thomas_c_z_[2] << " " << thomas_c_z_[resolution_-2] << " " <& thomas_denom, std::vector& thomas_c) { + thomas_denom[0] = constant3a_; + thomas_denom[resolution_ - 1] = constant3a_; + if(resolution_ == 1) { + thomas_denom[0] = 1.0 + constant2_; + } + thomas_c[0] /= thomas_denom[0]; + for (unsigned int i = 1; i < resolution_; ++i) { + thomas_denom[i] += constant1_ * thomas_c[i - 1]; + thomas_c[i] /= thomas_denom[i]; + } +} + +// Apply Dirichlet boundary conditions to the grid +void DiffusionThomasAlgorithm::ApplyDirichletBoundaryConditions() { + real_t origin= GetDimensionsPtr()[0]; + real_t simulated_time = GetSimulatedTime(); + #pragma omp parallel + { + //We apply the Dirichlet boundary conditions to the first and last layers in each direction + //For z=0 and z=resolution_-1 + #pragma omp for collapse(2) + for (size_t y = 0; y < resolution_; y++) { + for (size_t x = 0; x < resolution_; x++) { + real_t real_x = origin + x * d_space_; + real_t real_y = origin + y * d_space_; + //For z=0 + size_t z=0; + real_t real_z = origin + z * d_space_; + SetConcentration(x, y, z, GetBoundaryCondition()->Evaluate(real_x, real_y, real_z, simulated_time)); + //For z=resolution_-1 + z = resolution_ - 1; + real_z = origin + z * d_space_; + SetConcentration(x, y, z, GetBoundaryCondition()->Evaluate(real_x, real_y, real_z, simulated_time)); + } + } + //For y=0 and y=resolution_-1 + #pragma omp for collapse(2) + for (size_t z = 0; z < resolution_; z++) { + for (size_t x = 0; x < resolution_; x++) { + real_t real_x = origin + x * d_space_; + real_t real_z = origin + z * d_space_; + //For y=0 + size_t y=0; + real_t real_y = origin + y * d_space_; + SetConcentration(x, y, z, GetBoundaryCondition()->Evaluate(real_x, real_y, real_z, simulated_time)); + //For y=resolution_-1 + y = resolution_ - 1; + real_y = origin + y * d_space_; + SetConcentration(x, y, z, GetBoundaryCondition()->Evaluate(real_x, real_y, real_z, simulated_time)); + } + } + //For x=0 and x=resolution_-1 + #pragma omp for collapse(2) + for (size_t z = 0; z < resolution_; z++) { + for (size_t y = 0; y < resolution_; y++) { + real_t real_y = origin + y * d_space_; + real_t real_z = origin + z * d_space_; + //For x=0 + size_t x=0; + real_t real_x = origin + x * d_space_; + SetConcentration(x, y, z, GetBoundaryCondition()->Evaluate(real_x, real_y, real_z, simulated_time)); + //For x=resolution_-1 + x = resolution_ - 1; + real_x = origin + x * d_space_; + SetConcentration(x, y, z, GetBoundaryCondition()->Evaluate(real_x, real_y, real_z, simulated_time)); + } + } + } + + +} + +// Sets the concentration at a specific voxel +void DiffusionThomasAlgorithm::SetConcentration(size_t idx, real_t amount){ + this->ChangeConcentrationBy(idx, amount - GetAllConcentrations()[idx], InteractionMode::kAdditive, false); +}; + +// Flattens the 3D coordinates (x, y, z) into a 1D index +size_t DiffusionThomasAlgorithm::GetBoxIndex(size_t x, size_t y, size_t z) const { + return z * resolution_ * resolution_ + y * resolution_ + x; +} + +void DiffusionThomasAlgorithm::Step(real_t dt) {//instead of overwriting Step, in future versions of BioDynaMo, we should overwrite CheckParameters + // check if diffusion coefficient and decay constant are 0 + // i.e. if we don't need to calculate diffusion update + if (IsFixedSubstance()) { + return; + } + DiffuseChemical(dt); + + //This should be done this way instead but there is a bug in BioDynaMo that makes bc_type be "Neumann" no matter what. In future versions of BioDynaMo this should be fixed + // auto bc_type = Simulation::GetActive()->GetParam()->diffusion_boundary_condition; + // std::cout << bc_type << std::endl; + // if (bc_type == "Closed") { + // DiffuseWithClosedEdge(dt); + // } else if (bc_type == "Open" ) { + // DiffuseWithOpenEdge(dt); + // } else if (bc_type == "Dirichlet") { + // DiffuseWithDirichlet(dt); + // } else if (bc_type == "Neumann") { + // DiffuseWithNeumann(dt); + // } else if (bc_type == "Periodic") { + // DiffuseWithPeriodic(dt); + // } else { + // Log::Error( + // "DiffusionThomasAlgorithm::Diffuse", "Boundary condition of type '", + // bc_type, + // "' is not implemented. Defaulting to 'closed' boundary condition"); + // } + +} + +//This method solves the Diffusion Diferential equation using the Alternating Direction Implicit approach +void DiffusionThomasAlgorithm::DiffuseChemical(real_t dt) { + + + // CHANGE to add double buffer for paralelization + + // //Debug + // std::ofstream file("output/vector_densities_mine.csv", std::ios::app); + // if (file.is_open()) { + // auto* con=GetAllConcentrations(); + // for (unsigned int i = 0; i < resolution_ * resolution_ * resolution_; ++i) { + // file << con[i]; + // file << ","; + // } + // file<< "\n"; + // } + // //End Debug + + if (dirichlet_border_) { ApplyDirichletBoundaryConditions();} + + //X-direction + #pragma omp parallel for collapse(2) + for( unsigned int k=0; k < resolution_; k++) { + for( unsigned int j=0; j < resolution_; j++) { + int ind = GetBoxIndex(0, j, k); + + SetConcentration(ind, GetAllConcentrations()[ind]/thomas_denom_x_[0]); + // Forward elimination step for x direction + for (unsigned int i = 1; i < resolution_ ; i++) { + ind = GetBoxIndex(i, j, k); + auto* all_concentrations = GetAllConcentrations(); + SetConcentration(ind, (all_concentrations[ind] + constant1_ * all_concentrations[ind-jump_i_]) / thomas_denom_x_[i]); + } + // Back substitution step for x direction + for (int i = resolution_ - 2; i >= 0; i--) { + ind = GetBoxIndex(i, j, k); + auto* all_concentrations = GetAllConcentrations(); + SetConcentration(ind, all_concentrations[ind] - thomas_c_x_[i] * all_concentrations[ind + jump_i_]); + } + } + } + + if (dirichlet_border_) { ApplyDirichletBoundaryConditions();} + + //Y-direction + #pragma omp parallel for collapse(2) + for( unsigned int k=0; k < resolution_; k++) { + for( unsigned int i=0; i < resolution_; i++) { + int ind = GetBoxIndex(i, 0, k); + + SetConcentration(ind, GetAllConcentrations()[ind]/thomas_denom_y_[0]); + // Forward elimination step for y direction + for (unsigned int j = 1; j < resolution_ ; j++) { + ind = GetBoxIndex(i, j, k); + auto* all_concentrations = GetAllConcentrations(); + SetConcentration(ind, (all_concentrations[ind] + constant1_ * all_concentrations[ind-jump_j_]) / thomas_denom_y_[j]); + } + // Back substitution step for y direction + for (int j = resolution_ - 2; j >= 0; j--) { + ind = GetBoxIndex(i, j, k); + auto* all_concentrations = GetAllConcentrations(); + SetConcentration(ind, all_concentrations[ind] - thomas_c_y_[j] * all_concentrations[ind + jump_j_]); + } + } + } + + if (dirichlet_border_) { ApplyDirichletBoundaryConditions();} + + //Z-direction + #pragma omp parallel for collapse(2) + for( unsigned int j=0; j < resolution_; j++) { + for( unsigned int i=0; i < resolution_; i++) { + int ind = GetBoxIndex(i, j, 0); + SetConcentration(ind, GetAllConcentrations()[ind]/thomas_denom_z_[0]); + // Forward elimination step for z direction + for (unsigned int k = 1; k < resolution_ ; k++) { + ind = GetBoxIndex(i, j, k); + auto* all_concentrations = GetAllConcentrations(); + SetConcentration(ind, (all_concentrations[ind] + constant1_ * all_concentrations[ind-jump_k_]) / thomas_denom_z_[k]); + } + // Back substitution step for z direction + for (int k = resolution_ - 2; k >= 0; k--) { + ind = GetBoxIndex(i, j, k); + auto* all_concentrations = GetAllConcentrations(); + SetConcentration(ind, all_concentrations[ind] - thomas_c_z_[k] * all_concentrations[ind + jump_k_]); + } + } + } + if (dirichlet_border_) { ApplyDirichletBoundaryConditions(); } + + //Change of concentration levels because of agents + ComputeConsumptionsSecretions(); + + return; + + +} + + +void DiffusionThomasAlgorithm::ComputeConsumptionsSecretions() { + // This method is called to compute the consumptions and secretions of substances + // by the tumor cells. It iterates over all agents and applies the consumption + // and secretion behaviors defined in the TumorCell class. + auto* rm = bdm::Simulation::GetActive()->GetResourceManager(); + real_t current_time = GetSimulatedTime(); + //in a future version of BioDynaMo this should be parallelized getting the agents inside each chemical voxel and trating each voxel independently. + rm->ForEachAgent([this, current_time](bdm::Agent* agent) { + if (auto* cell = dynamic_cast(agent)) { + const auto& pos = cell->GetPosition(); + real_t conc = this->GetValue(pos); + real_t new_conc = cell->ConsumeSecreteSubstance(GetContinuumId(),conc); + this->ChangeConcentrationBy(pos, new_conc - conc, InteractionMode::kAdditive, false); + } + //Debug + // std::ofstream file("output/consumptions_mine.csv", std::ios::app); + // if (file.is_open()) { + // file << current_time << "," << conc << "," << 0.0 << "," << 1.3 << "," << new_conc << "\n"; + // } + }); + + return; +} + +} // namespace bdm diff --git a/src/diffusion_thomas_algorithm.h b/src/diffusion_thomas_algorithm.h new file mode 100644 index 0000000..36b496c --- /dev/null +++ b/src/diffusion_thomas_algorithm.h @@ -0,0 +1,119 @@ +// ----------------------------------------------------------------------------- +// Copyright (C) 2025 Salvador de la Torre Gonzalez +// Co-author: Luciana Melina Luque +// +// Licensed under the Apache License, Version 2.0 (the "License"); +// you may not use this file except in compliance with the License. +// You may obtain a copy of the License at +// +// http://www.apache.org/licenses/LICENSE-2.0 +// +// Unless required by applicable law or agreed to in writing, software +// distributed under the License is distributed on an "AS IS" BASIS, +// WITHOUT WARRANTIES OR CONDITIONS OF ANY KIND, either express or implied. +// See the License for the specific language governing permissions and +// limitations under the License. +// ----------------------------------------------------------------------------- + +#ifndef DIFFUSION_THOMAS_ALGORITHM_H_ +#define DIFFUSION_THOMAS_ALGORITHM_H_ + +#include + +#include "core/diffusion/diffusion_grid.h" + +namespace bdm { + +/** @brief Continuum model for the 3D heat equation with exponential decay + \f$ \partial_t u = \nabla D \nabla u - \mu u \f$. +*/ +class DiffusionThomasAlgorithm : public DiffusionGrid { + public: + DiffusionThomasAlgorithm() = default; + DiffusionThomasAlgorithm(int substance_id, // Substance ID + std::string substance_name, // Substance name + real_t dc, // Diffusion coefficient + real_t mu,// Diffusion coefficient and decay constant + int resolution, // number of voxels in each direction + real_t dt,//time step + bool dirichlet_border);//if the border conditions are Dirichlet, this flag should not be necessary in a future version of BioDynaMo + + //Methonds to set new concentration at a given position + void SetConcentration(real_t x, real_t y, real_t z, real_t amount){ + SetConcentration(GetBoxIndex(x, y, z), amount); + }; + void SetConcentration(size_t idx, real_t amount); + + //These methods are overridden but empty because they are not used. This should be fixed in future versions of BioDynaMo + void DiffuseWithClosedEdge(real_t dt) override{}; + void DiffuseWithOpenEdge(real_t dt) override{}; + void DiffuseWithNeumann(real_t dt) override{}; + void DiffuseWithPeriodic(real_t dt) override{}; + void DiffuseWithDirichlet(real_t dt) override{}; + + + //These methods are the important ones + void DiffuseChemical(real_t dt); + void Step(real_t dt) override; + // ───────────────────────────── + // Secretion or consumption of a substance following the differential equation + // ∂ρ/∂t = ∇·(D ∇ρ) − λ · ρ + sum_{cells in voxel}((V_k / V_voxel) · [ S_k · ( ρ*_k − ρ ) − (S_k + U_k) · ρ ]) + // where: + // ρ = concentration of the substance in the microenvironment + // S_k = secretion rate of cell k + // U_k = uptake (consumption) rate of cell k + // ρ*_k = saturation (target) density for secretion + // V_k = volume of the cell k which is approximated to the default volume of a new tumor cell + // V_voxel = volume of the voxel containing the cell + // dt = simulation time step + // + // In this class, we only model the secretion and consumption of the substance, + // not its diffusion, which is: + // (ρ − σ)/dt = sum_{cells in voxel}((V_k / V_voxel) · [ S_k · ( ρ*_k − ρ ) − (S_k + U_k) · ρ ]) + // where σ is the concentration of the substance in the voxel at the previous time step (it can include the diffusion term) + // ρⁿ⁺¹ = (ρⁿ + dt · (V_k / V_voxel) · S_k · ρ*_k) + // / [1 + dt · (V_k / V_voxel) · (S_k + U_k)] + // + // where: + // ρⁿ = current concentration + // ρⁿ⁺¹ = updated concentration after secretion/uptake + // This assumes secretion is toward a saturation level, and uptake is proportional to ρ + // ───────────────────────────── + + void ComputeConsumptionsSecretions(); + + private: + size_t resolution_; // Number of voxels in each direction + real_t d_space_; // Voxel side length in micrometers + + std::vector thomas_denom_x_; // Denominators for x-direction + std::vector thomas_c_x_; // Coefficients for x-direction + std::vector thomas_denom_y_; // Denominators for y-direction + std::vector thomas_c_y_; // Coefficients for y-direction + std::vector thomas_denom_z_; // Denominators for z-direction + std::vector thomas_c_z_; // Coefficients for z-direction + int jump_i_; + int jump_j_; + int jump_k_; + + real_t constant1_; + real_t constant1a_; + real_t constant2_; + real_t constant3_; + real_t constant3a_; + + bool dirichlet_border_; // Flag to indicate if the border conditions are Dirichlet + + // Function for initializing the coefficients of each direction + void InitializeThomasAlgorithmVectors(std::vector& thomas_denom, + std::vector& thomas_c); + // Function to apply Dirichlet boundary conditions to the grid + void ApplyDirichletBoundaryConditions(); + + size_t GetBoxIndex(size_t x, size_t y, size_t z) const; + BDM_CLASS_DEF_OVERRIDE(DiffusionThomasAlgorithm, 1); +}; + +} // namespace bdm + +#endif // DIFFUSION_THOMAS_ALGORITHM_H_ diff --git a/src/forces_tumor_cart.cc b/src/forces_tumor_cart.cc new file mode 100644 index 0000000..b0239bf --- /dev/null +++ b/src/forces_tumor_cart.cc @@ -0,0 +1,155 @@ +// ----------------------------------------------------------------------------- +// Copyright (C) 2025 Salvador de la Torre Gonzalez +// Co-author: Luciana Melina Luque +// +// Licensed under the Apache License, Version 2.0 (the "License"); +// you may not use this file except in compliance with the License. +// You may obtain a copy of the License at +// +// http://www.apache.org/licenses/LICENSE-2.0 +// +// Unless required by applicable law or agreed to in writing, software +// distributed under the License is distributed on an "AS IS" BASIS, +// WITHOUT WARRANTIES OR CONDITIONS OF ANY KIND, either express or implied. +// See the License for the specific language governing permissions and +// limitations under the License. +// ----------------------------------------------------------------------------- + +#include "forces_tumor_cart.h" + + +namespace bdm { + +Real4 InteractionVelocity::Calculate(const Agent* lhs, const Agent* rhs) const { + // std::cout << "Calculating interaction velocity..." << std::endl;//Debug + + auto* a = static_cast(lhs); + auto* b = static_cast(rhs); + + // Ignore self-interaction + if (a->GetUid() == b->GetUid()) { + return {0.0, 0.0, 0.0, 0.0}; + } + + Real3 displacement = a->GetPosition() - b->GetPosition(); + + //For periodic boundary conditions, we need to adjust the displacement + displacement[0] = displacement[0] - (kBoundedSpaceLength)*round(displacement[0]/(kBoundedSpaceLength)); + displacement[1] = displacement[1] - (kBoundedSpaceLength)*round(displacement[1]/(kBoundedSpaceLength)); + displacement[2] = displacement[2] - (kBoundedSpaceLength)*round(displacement[2]/(kBoundedSpaceLength)); + + double dist_sq = displacement[0] * displacement[0] + + displacement[1] * displacement[1] + + displacement[2] * displacement[2]; + double distance = std::max(std::sqrt(dist_sq), 1e-5); + + double radius_a = a->GetDiameter() / 2.0; + double radius_b = b->GetDiameter() / 2.0; + double R = radius_a + radius_b; + // R=16.8254;//Debug + // std::cout << "Debug: R = " << R << ", distance = " << distance << std::endl;// Debug output + double temp_r = 0.0; + + const TumorCell* a_tumor = dynamic_cast(a); + const TumorCell* b_tumor = dynamic_cast(b); + + if (distance < R) { + + temp_r = 1.0 - distance / R; // 1 - d/R + temp_r *= temp_r;// (1 - d/R)^2 + + double repulsion; + // std::cout << "temp_r = " << temp_r<< std::endl;// Debug output + + + if (a_tumor && b_tumor) {// two tumor cells + repulsion = kRepulsionTumorTumor;//std::sqrt(kRepulsionTumorTumor * kRepulsionTumorTumor); + } else if (!a_tumor && !b_tumor) {// two CAR-T cells + repulsion = kRepulsionCartCart;//std::sqrt(kRepulsionCartCart*kRepulsionCartCart); + } else {// one tumor cell and one CAR-T + repulsion = std::sqrt(kRepulsionCartTumor * + kRepulsionTumorCart); + } + // std::cout << "repulsion = " << repulsion<< std::endl;// Debug output + + temp_r *= repulsion; + } + + // std::cout << "temp_r after repulsion = " << temp_r<< std::endl;// Debug output + + + // Adhesion + double max_interaction_distance = kMaxRelativeAdhesionDistance * R; + // max_interaction_distance=21.0318;//Debug + // std::cout << "max_interaction_distance = " << max_interaction_distance << std::endl;// Debug output + + + if (distance < max_interaction_distance) { + double temp_a = 1.0 - distance / max_interaction_distance; // 1 - d/S + temp_a *= temp_a;// (1-d/S)^2 + + // std::cout << "temp_a = " << temp_a << std::endl;// Debug output + + + double adhesion; + if (a_tumor && b_tumor) {// two tumor cells + adhesion = kAdhesionTumorTumor; + } else if (!a_tumor && !b_tumor) {// two CAR-T cells + adhesion = kAdhesionCartCart; + } else {// one tumor cell and one CAR-T + adhesion = std::sqrt(kAdhesionCartTumor * + kAdhesionTumorCart); + } + + // std::cout << "adhesion = " << adhesion << std::endl;// Debug output + + + temp_a *= adhesion; + temp_r -= temp_a; + + // std::cout << "temp_a after adhesion= " << temp_a << std::endl;// Debug output + + } + + if (std::abs(temp_r) < 1e-16) { + return {0.0, 0.0, 0.0, 0.0}; + } + double force_magnitude = temp_r / distance; + + + + //Debug Output volcities + // std::ofstream file("output/intercation_velocities.csv", std::ios::app); + // if (file.is_open()) { + + // double total_minutes = Simulation::GetActive()->GetScheduler()->GetSimulatedTime(); + // Real3 position = a->GetPosition(); + // // Write data to CSV file + // file << total_minutes << ",position" + // << position[0] << "," + // << position[1] << "," + // << position[2] << ",displacement" + // << displacement[0] << "," + // << displacement[1] << "," + // << displacement[2] << ",distance" + // << distance << ",force_magnitude" + // << force_magnitude << ",temp_r" + // << temp_r << "\n"; + // } + // End Debug Output + + + // return{0.,0.,0.,0.};//debug + + + return {2*force_magnitude * displacement[0],//Change this is aggregated twice in the papers code + 2*force_magnitude * displacement[1], + 2*force_magnitude * displacement[2], + 0.0}; // 4th component is unused +} + +InteractionForce* InteractionVelocity::NewCopy() const { + return new InteractionVelocity(); +} + +} // namespace bdm \ No newline at end of file diff --git a/src/forces_tumor_cart.h b/src/forces_tumor_cart.h new file mode 100644 index 0000000..9a629fa --- /dev/null +++ b/src/forces_tumor_cart.h @@ -0,0 +1,43 @@ +// ----------------------------------------------------------------------------- +// Copyright (C) 2025 Salvador de la Torre Gonzalez +// Co-author: Luciana Melina Luque +// +// Licensed under the Apache License, Version 2.0 (the "License"); +// you may not use this file except in compliance with the License. +// You may obtain a copy of the License at +// +// http://www.apache.org/licenses/LICENSE-2.0 +// +// Unless required by applicable law or agreed to in writing, software +// distributed under the License is distributed on an "AS IS" BASIS, +// WITHOUT WARRANTIES OR CONDITIONS OF ANY KIND, either express or implied. +// See the License for the specific language governing permissions and +// limitations under the License. +// ----------------------------------------------------------------------------- + +#ifndef FORCES_TUMOR_CART_H_ +#define FORCES_TUMOR_CART_H_ +#include "core/interaction_force.h" +#include "core/operation/mechanical_forces_op.h" +#include "biodynamo.h" +#include "core/util/log.h" +#include "core/util/root.h" +#include "hyperparams.h" +#include "utils_aux.h" +#include "tumor_cell.h" + +namespace bdm { + +class InteractionVelocity : public InteractionForce { + public: + InteractionVelocity() = default; + ~InteractionVelocity() override = default; + + Real4 Calculate(const Agent* lhs, const Agent* rhs) const override; + + InteractionForce* NewCopy() const override; +}; + +} // namespace bdm + +#endif // FORCES_TUMOR_CART_H_ \ No newline at end of file diff --git a/src/hyperparams.h b/src/hyperparams.h new file mode 100644 index 0000000..80ba478 --- /dev/null +++ b/src/hyperparams.h @@ -0,0 +1,189 @@ +// ----------------------------------------------------------------------------- +// Copyright (C) 2025 Salvador de la Torre Gonzalez +// Co-author: Luciana Melina Luque +// +// Licensed under the Apache License, Version 2.0 (the "License"); +// you may not use this file except in compliance with the License. +// You may obtain a copy of the License at +// +// http://www.apache.org/licenses/LICENSE-2.0 +// +// Unless required by applicable law or agreed to in writing, software +// distributed under the License is distributed on an "AS IS" BASIS, +// WITHOUT WARRANTIES OR CONDITIONS OF ANY KIND, either express or implied. +// See the License for the specific language governing permissions and +// limitations under the License. +// ----------------------------------------------------------------------------- + +#ifndef TUMOR_HYPERPARAMS_H_ +#define TUMOR_HYPERPARAMS_H_ + +#include +#include + +namespace bdm { + + + +// ───────────────────────────── +// TumorCell Hyperparameters +// ───────────────────────────── + +constexpr real_t kRateSecretionImmunostimulatoryFactor= 10.0; // Rate of secretion of immunostimulatory factor of tumor cells per minute +constexpr real_t kSaturationDensityImmunostimulatoryFactor = 1.0; // Saturation density of immunostimulatory factor for tumor cells +constexpr real_t kOncoproteinMean = 1.0; // Mean level of oncoprotein expression in tumor cells +constexpr real_t kOncoproteinStandardDeviation = 0.25; // Standard deviation of oncoprotein expression in tumor cells +constexpr real_t kOxygenSaturationInProliferation = 38.0; // Oxygen saturation level in tumor cells for proliferation +constexpr real_t kOxygenLimitForProliferation = 10.0; // Limit of oxygen level for tumor cell proliferation +constexpr real_t kOxygenLimitForNecrosis = 5.0; // Limit of oxygen to start causing necrosis +constexpr real_t kOxygenLimitForNecrosisMaximum= 2.5; // Limit of oxygen to maximum necrosis probability +// constexpr real_t kTransitionRateKi67[] = {// Transition rates for Ki67 expression states in min**-1 +// 1.0 / (3.62 * 60.0), // Rate from 0 to 1 (ki67 negative to ki67 positive pre-mitotic) +// 1.0 / (13.0 * 60.0), // Rate from 1 to 2 (ki67 positive pre-mitotic to ki67 positive post-mitotic) +// 1.0 / (2.5 * 60.0) // Rate from 2 to 0 (ki67 positive post-mitotic to ki67 negative) +// }; +constexpr real_t kTimeLysis = 60*24*60.; // Time in minutes until a lysed necrotic cell is removed from the simulation +constexpr real_t kDivisionRate = 0.02717 / 60.0; // Rate of cell division in min**-1 +constexpr real_t kMaximumNecrosisRate= 1.0 / (6.0 * 60.0); // Maximum rate per minute of necrosis for tumor cells in case of hypoxia with 0 oxygen +constexpr real_t kDefaultOxygenConsumption = 10.0; // Default oxygen consumption rate of tumor cell +//Volume parameters +constexpr real_t kDefaultVolumeNewTumorCell = 2494.0; // Default total volume of a new tumor cell in μm³ +constexpr real_t kDefaultVolumeNucleusTumorCell = 540.0; // Default volume of the nucleus of a new tumor cell in μm³ +constexpr real_t kDefaultFractionFluidTumorCell = 0.75; // Default fraction of fluid volume in a new tumor cell + + +//volume relaxation rate (min^-1) for each state +constexpr real_t kVolumeRelaxarionRateAliveCytoplasm =0.13/60.;// 0.27/ 60.0; +constexpr real_t kVolumeRelaxarionRateAliveNucleus = 0.22/60.;//0.33/60. +constexpr real_t kVolumeRelaxarionRateAliveFluid = 1.3/60.;//3.0/60. + +constexpr real_t kVolumeRelaxarionRateCytoplasmNecroticSwelling = 0.0032/60.0; +constexpr real_t kVolumeRelaxarionRateNucleusNecroticSwelling = 0.013/60.; +constexpr real_t kVolumeRelaxarionRateFluidNecroticSwelling = 0.050/60.0; + +constexpr real_t kVolumeRelaxarionRateCytoplasmNecroticLysed = 0.0032/60.00; +constexpr real_t kVolumeRelaxarionRateNucleusNecroticLysed = 0.013/60.; +constexpr real_t kVolumeRelaxarionRateFluidNecroticLysed = 0.050/60.0; + + +// ───────────────────────────── +// General Hyperparameters +// ───────────────────────────── + +constexpr int kSeed =3; // Seed for random number generation + +constexpr real_t kDtSubstances = 0.01; // 0.01 minutes time step for substances secretion/consumption +constexpr real_t kDtMechanics = 0.1; // 0.1 minutes time step for the cell mechanics +constexpr real_t kDtCycle = 6.0; // 6 minutes time step for the cell cycle + +constexpr real_t kDt = kDtMechanics; // General time step for the simulation: it is the same as kDtMechanics, do not modify this line +constexpr int kStepsPerCycle = kDtCycle / kDt; // Number of steps per cycle step, do not modify this line. Needs to be computed to avoid errors with fmod + +constexpr int kOutputCsvInterval = 12*60/kDt;// Output little summary each half a day + + +constexpr int kTotalMinutesToSimulate = 30*24*60; //30 * 24 * 60; // Total simulation time in minutes (30 days) +constexpr int kBoundedSpaceLength = 1000; // Length of the bounded space in micrometers +constexpr real_t kInitialRadiusTumor = 150; // Initial radius of the spherical tumor (group of cancer cells) in micrometers + + +constexpr real_t kVolumeRelaxarionRateCytoplasmApoptotic = 1.0/60.0; +constexpr real_t kVolumeRelaxarionRateNucleusApoptotic = 0.35/60.0; +constexpr real_t kVolumeRelaxarionRateFluidApoptotic = 0.0; +constexpr real_t kTimeApoptosis = 8.6*60; // Time in minutes until an apoptotic cell is removed from the simulation +constexpr real_t kReductionConsumptionDeadCells= 0.1; // Reduction of consumption rate of dead cells when they enter necrosis + + + +//Chemicals +constexpr int kResolutionGridSubstances = 50; //50 // voxels per axis +constexpr real_t kVoxelVolume = (kBoundedSpaceLength / kResolutionGridSubstances)*(kBoundedSpaceLength / kResolutionGridSubstances)*(kBoundedSpaceLength/ kResolutionGridSubstances); //Do not modify this line +constexpr real_t kDiffusionCoefficientOxygen = 100000; // 100000 micrometers^2/minute +constexpr real_t kDecayConstantOxygen = 0.1; // 0.1 minutes^-1 +constexpr real_t kDiffusionCoefficientImmunostimulatoryFactor = 1000; // 1000 micrometers^2/minute +constexpr real_t kDecayConstantImmunostimulatoryFactor = 0.016; // 0.016 minutes^-1 +constexpr real_t kTimeStepOxygen = 0.0005; // 0.001 minutes CHANGE +constexpr real_t kTimeStepImmunostimulatoryFactor = 0.01; // 0.01 minutes +constexpr real_t kOxygenReferenceLevel = 38.; // Reference level of oxygen at the boundaries of the simulation space in mmHg +constexpr real_t kInitialOxygenLevel = 38.0; // Initial voxel concentration of oxygen in mmHg +constexpr real_t kOxygenSaturation = 30.0; //30.0 // Oxygen saturation in mmHg in microenvironment +//Forces +constexpr real_t kRepulsionTumorTumor = 10.0; // Repulsion coeficient between tumor cells +constexpr real_t kRepulsionCartCart = 50.0; // Repulsion coeficient between CAR-T cells +constexpr real_t kRepulsionCartTumor = 50.0; // Repulsion coeficient between CAR-T cells and tumor cells +constexpr real_t kRepulsionTumorCart = 10.0; // Repulsion coeficient between tumor cells and CAR-T cells +constexpr real_t kMaxRelativeAdhesionDistance =1.25; // Maximum relative adhesion distance for cell interactions +constexpr real_t kAdhesionTumorTumor = 0.4; // Adhesion coeficient between tumor cells +constexpr real_t kAdhesionCartCart = 0.0; // Adhesion coeficient between CAR-T cells +constexpr real_t kAdhesionCartTumor = 0.0; // Adhesion coeficient between CAR-T cells and tumor cells +constexpr real_t kAdhesionTumorCart = 0.0; // Adhesion coeficient between tumor cells and CAR-T cells + +//Do not change +//coefficientes for the two step Adams-Bashforth approximation of the time derivative for position +//position(t + dt) ≈ position(t) + dt * [ 1.5 * velocity(t) - 0.5 * velocity(t - dt) ] +constexpr real_t kDnew= 1.5*kDtMechanics; //dt*1.5 +constexpr real_t kDold = -0.5*kDtMechanics; // dt*(-0.5) + +//Do not change this line +const real_t kLengthBoxMechanics =22; // Length of the box for mechanics in micrometers + +//Max Distance for considering two cells as neighbours for force calculations in μm +//Do not change this line +const real_t kSquaredMaxDistanceNeighborsForce = std::pow(0.1+ std::cbrt(kDefaultVolumeNewTumorCell * 6 / Math::kPi) * kMaxRelativeAdhesionDistance,2);// (twice biggest cell radius (in case to cells tha maximum size encounter each other) times kMaxRelativeAdhesionDistance + 0.1 to avoid mismatch because of numerical errors)**2 + + +// ───────────────────────────── +// CAR-T Cell Hyperparameters +// ───────────────────────────── +constexpr real_t kAverageMaximumTimeUntillApoptosisCart= kDtCycle* 10.0 * 24.0 * 60.0; +//Volume parameters +constexpr real_t kDefaultVolumeNewCartCell = 2494.0; // Default total volume of a new CAR-T cell in μm³ +constexpr real_t kDefaultVolumeNucleusCartCell = 540.0; // Default volume of the nucleus of a new CAR-T cell in μm³ +constexpr real_t kDefaultFractionFluidCartCell = 0.75; // Default fraction of fluid volume in a new CAR-T cell + + +// ───────────────────────────── +// CAR-T Cell Hyperparameters +// ───────────────────────────── + + +// //////////////////////////////////////////////////////old +// constexpr real_t kDiameterCartCell = 10.0; // Diameter in μm +// constexpr real_t kVolumeGrowthCartCell = 800.0; // Volume increment per step in μm³ +// constexpr real_t kBaseProbabilityDivideCartCell = 0.05; // Probability of cell division per step +// constexpr int kTimeApoptosisInducedCart = 30; // Time until apoptosis-induced cell dies in steps +// constexpr int kTimeDeadCart = 40; // Time until dead cell is removed in steps +// constexpr real_t kTimeLastDivisionCartCell = 250; // Time until the cell can divide again after division in steps +// constexpr real_t kTimeKillTrialCart = 100; // Time until the cell can perform a kill trial again in steps +// constexpr real_t kMaxSpeedCartCell = 5.0; // Random displacement motility scale in μm +// constexpr real_t kCartCellDensity = 1.0; // Initial mass of a new tumor cell +// constexpr real_t kAverageLifeTimeCartCell = 500; // Average life time of a CAR-T cell in steps +// constexpr real_t kStandardDeviationLifeTimeCartCell = 20; // Standard deviation of the life time of a CAR-T cell in steps +// constexpr real_t kThresholdHighSuppression = 0.5; // Threshold for CAR-T cell tu be considered under high suppression +// constexpr real_t kThresholdStepsUnderHighSuppression = 10; // Minimum amount of steps a CAR-T cell has to be under high suppression for exhaustion to be increased +// constexpr real_t kThresholdOxygenLevelSuppression = 0.2; // Threshold for hypoxia in CAR-T cells +// constexpr real_t kThresholdNutrientsLevelSuppression = 0.05; // Threshold for low nutrients in CAR-T cells +// inline std::vector, float>> kRecognizedAntigensCart = {// +// { +// {// Antigen recognition this type of for CAR-T cells; +// {"HER2", true}, +// {"MUC1", false}, +// {"EpCAM", false}, +// }, +// 0.6f //proportion of cells that with the previous pattern of antigen recognition +// }, +// { +// { +// {"HER2", false}, +// {"MUC1", false}, +// {"EpCAM", true}, +// }, +// 0.4f//40% of cells recognize only EpCAM antigen +// },//the proportions need to add up to 1.0 +// }; + + + +} // namespace bdm + +#endif // TUMOR_HYPERPARAMS_H_ \ No newline at end of file diff --git a/src/tumor_cell.cc b/src/tumor_cell.cc new file mode 100644 index 0000000..0a7b770 --- /dev/null +++ b/src/tumor_cell.cc @@ -0,0 +1,483 @@ +// ----------------------------------------------------------------------------- +// Copyright (C) 2025 Salvador de la Torre Gonzalez +// Co-author: Luciana Melina Luque +// +// Licensed under the Apache License, Version 2.0 (the "License"); +// you may not use this file except in compliance with the License. +// You may obtain a copy of the License at +// +// http://www.apache.org/licenses/LICENSE-2.0 +// +// Unless required by applicable law or agreed to in writing, software +// distributed under the License is distributed on an "AS IS" BASIS, +// WITHOUT WARRANTIES OR CONDITIONS OF ANY KIND, either express or implied. +// See the License for the specific language governing permissions and +// limitations under the License. +// ----------------------------------------------------------------------------- + +#include "tumor_cell.h" + +namespace bdm { + +TumorCell::TumorCell(const Real3& position) { + SetPosition(position); + state_ = TumorCellState::kAlive; // Default state for new cells + timer_state_ = 0; // Initial timer_state + + //volumes + this->SetVolume(kDefaultVolumeNewTumorCell); // Set default volume + this->SetFluidFraction(kDefaultFractionFluidTumorCell); // Set default fluid fraction + this->SetNuclearVolume(kDefaultVolumeNucleusTumorCell); // Set default nuclear volume + //target volumes + this->SetTargetFractionFluid(kDefaultFractionFluidTumorCell); // Set target fraction of fluid + this->SetTargetRelationCytoplasmNucleus((kDefaultVolumeNewTumorCell - kDefaultVolumeNucleusTumorCell) / ( 1e-16 + kDefaultVolumeNucleusTumorCell)); // Set target relation between cytoplasm and nucleus + this->SetTargetNucleusSolid(kDefaultVolumeNucleusTumorCell*(1-kDefaultFractionFluidTumorCell)); // Set target nucleus solid volume to real_t + this->SetTargetCytoplasmSolid((kDefaultVolumeNewTumorCell - kDefaultVolumeNucleusTumorCell) * (1 - kDefaultFractionFluidTumorCell)); // Set target cytoplasm solid volume to real_t + + this->SetOncoproteineLevel(SamplePositiveGaussian(kOncoproteinMean,kOncoproteinStandardDeviation)); // Set initial oncoproteine level with a truncated normal distribution + // this->SetOncoproteineLevel(1.); //Debug + this->oxygen_dgrid_ = Simulation::GetActive()->GetResourceManager()->GetDiffusionGrid("oxygen"); // Pointer to oxygen diffusion grid + this->immunostimulatory_factor_dgrid_ = Simulation::GetActive()->GetResourceManager()->GetDiffusionGrid("immunostimulatory_factor"); // Pointer to immunostimulatory_factor diffusion grid + this->SetTransformationRandomRate(); // Set state transition random rate + this->attached_to_cart_ = false; // Initially not attached to a cart + + this->older_velocity_ = {0, 0, 0}; // Initialize the velocity of the cell in the previous step to zero + + //Add Consumption and Secretion + this->SetOxygenConsumptionRate(kDefaultOxygenConsumption); // Set default oxygen consumption rate + this->SetImmunostimulatoryFactorSecretionRate(kRateSecretionImmunostimulatoryFactor); // Set default immunostimulatory factor secretion rate + this->ComputeConstantsConsumptionSecretion(); // Compute constants for all ConsumptionSecretion of Oxygen and Immunostimulatory Factors + +} + +/// Called when a new agent is created (e.g., after cell division) +void TumorCell::Initialize(const NewAgentEvent& event) { + Base::Initialize(event); + + if (auto* mother = dynamic_cast(event.existing_agent)) {//if the cell is created from division + if (event.GetUid() == CellDivisionEvent::kUid) { + //Initialize daughter cell from mother cell + state_ = TumorCellState::kAlive; // state after division + timer_state_ = 0; + //diffusion grids + oxygen_dgrid_ = mother->oxygen_dgrid_; // Pointer to the oxygen diffusion grid + immunostimulatory_factor_dgrid_ = mother->immunostimulatory_factor_dgrid_; // Pointer to the immunostimulatory_factor diffusion grid + this->SetOncoproteineLevel(mother->oncoproteine_level_); // inherit oncoproteine level from mother cell + this->SetOxygenConsumptionRate(mother->GetOxygenConsumptionRate()); // inherit oxygen consumption rate from mother cell + this->SetImmunostimulatoryFactorSecretionRate(mother->GetImmunostimulatoryFactorSecretionRate()); // inherit immunostimulatory factor secretion rate from mother cell + + // Update the constants for all ConsumptionSecretion + mother->ComputeConstantsConsumptionSecretion(); + this->ComputeConstantsConsumptionSecretion(); + + + //divde mother's nuclear volume by 2 + real_t new_nuclear_volume = mother->GetNuclearVolume() / 2.0; // Divide mother's nuclear volume by 2 + mother->SetNuclearVolume(new_nuclear_volume); // Set mother's nuclear volume to the new volume + this->SetNuclearVolume(new_nuclear_volume); + + //Inherit mother's fluid fraction and velocity + this->SetFluidFraction(mother->GetFluidFraction()); // Set fluid fraction to mother's fluid fraction + this->SetOlderVelocity(mother->GetOlderVelocity()); // Copy velocity from mother cell + + //inherit target volumes of the daughter cell + this->SetTargetFractionFluid(mother->GetTargetFractionFluid()); + this->SetTargetRelationCytoplasmNucleus(mother->GetTargetRelationCytoplasmNucleus()); + this->SetTargetNucleusSolid(mother->GetTargetNucleusSolid()); + this->SetTargetCytoplasmSolid(mother->GetTargetCytoplasmSolid()); + + this->SetTransformationRandomRate(); // Set state transition random rate + this->attached_to_cart_ = false; // Initially not attached to a cart + } + } +} + +void TumorCell::SetOncoproteineLevel(real_t level) { + oncoproteine_level_ = level; //oncoproteine_level_ + //cell type + if (level >= 1.5) {//between 1.5 and 2.0 + type_ = 1; + } else if (level >= 1.0 && level < 1.5) { + type_ = 2; + } else if (level >= 0.5 && level < 1.0) { + type_ = 3; + } else {//between 0.0 and 0.5 + type_ = 4; + } +} + +void TumorCell::SetTransformationRandomRate() { + transformation_random_rate_ = 1/(std::max(SamplePositiveGaussian(38.6,3.7)*60., 1e-16));// avoid division by zero +} + +real_t TumorCell::GetTargetTotalVolume() { + return this->GetTargetNucleusSolid() * (1 + GetTargetRelationCytoplasmNucleus()) / (1 - GetTargetFractionFluid()); +} + +// This method explicitly solves the system of exponential relaxation differential equation using a discrete +// update step. It is used to grow or shrink the volume (and proportions) smoothly toward a desired target +// volume over time. The relaxations rate controls the speed of convergence +void TumorCell::ChangeVolumeExponentialRelaxationEquation(real_t relaxation_rate_cytoplasm, real_t relaxation_rate_nucleus, real_t relaxation_rate_fluid) { + // Exponential relaxation towards the target volume + real_t current_total_volume = this->GetVolume(); + real_t fluid_fraction= this->GetFluidFraction(); + real_t nuclear_volume = this->GetNuclearVolume(); + + real_t current_nuclear_solid = nuclear_volume * (1 - fluid_fraction); + real_t current_cytoplasm_solid = (current_total_volume - nuclear_volume) * (1-fluid_fraction); + + // std::cout << "time=" << Simulation::GetActive()->GetScheduler()->GetSimulatedTime() << + // ", current_total_volume=" << current_total_volume << + // ", current_nuclear_volume=" << nuclear_volume << + // ", current_cytoplasm_solid=" << current_cytoplasm_solid << + // std::endl; + + real_t current_fluid = fluid_fraction * current_total_volume; + + real_t new_fluid = current_fluid + kDtCycle* relaxation_rate_fluid * (this->GetTargetFractionFluid() * current_total_volume - current_fluid); // Update fluid volume + if (new_fluid < 0.0) { new_fluid = 0.0; }// Clamp to zero to prevent negative volumes + + real_t nuclear_fluid = new_fluid* ( nuclear_volume/ current_total_volume); + // real_t cytoplasm_fluid = new_fluid - nuclear_fluid; + + real_t nuclear_solid = current_nuclear_solid + kDtCycle * relaxation_rate_nucleus * (this->GetTargetNucleusSolid() - current_nuclear_solid); + if (nuclear_solid < 0.0) { nuclear_solid = 0.0; } // Clamp to zero to prevent negative volumes + + real_t target_cytoplasm_solid = this->GetTargetRelationCytoplasmNucleus() * this->GetTargetNucleusSolid(); + real_t cytoplasm_solid = current_cytoplasm_solid + kDtCycle * relaxation_rate_cytoplasm * (target_cytoplasm_solid - current_cytoplasm_solid); + if (cytoplasm_solid < 0.0) { cytoplasm_solid = 0.0; } // Clamp to zero to prevent negative volumes + + real_t new_total_solid= nuclear_solid + cytoplasm_solid; + + real_t total_nuclear= nuclear_solid + nuclear_fluid; + + // real_t total_cytoplasm= cytoplasm_solid + cytoplasm_fluid; + + real_t new_volume = new_total_solid + new_fluid; + + real_t new_fraction_fluid = new_fluid / (1e-16 + new_volume); // Avoid division by zero + +//Debug Debug Output params +// std::ofstream file("output/volumes.csv", std::ios::app); +// if (file.is_open()) { + +// // Write data to CSV file +// file << Simulation::GetActive()->GetScheduler()->GetSimulatedTime() << ",cytoplasm," +// << new_volume-total_nuclear << ",nuclear," +// << total_nuclear <<",fraction fluid," +// << new_fraction_fluid<< "cytoplasm solid: " +// <SetVolume(new_volume); + this->ComputeConstantsConsumptionSecretion(); // Update constants for all ConsumptionSecretion of Oxygen and Immunostimulatory Factors + } + this->SetFluidFraction(new_fraction_fluid); + this->SetNuclearVolume(total_nuclear); +} + +//compute Displacement +Real3 TumorCell::CalculateDisplacement(const InteractionForce* force, + real_t squared_radius, real_t dt) { + + Real3 movement_at_next_step{0, 0, 0}; + squared_radius=kSquaredMaxDistanceNeighborsForce;//this should be chaged in a future version of BioDynaMo in order to have a cleaner code instead of hardcoding it here + + Real3 translation_velocity_on_point_mass{0, 0, 0}; + + // We check for every neighbor object if they touch us, i.e. push us + // away and agreagate the velocities + + uint64_t non_zero_neighbor_forces = 0; + if (!IsStatic()) { + auto* ctxt = Simulation::GetActive()->GetExecutionContext(); + auto calculate_neighbor_forces = + L2F([&](Agent* neighbor, real_t squared_distance) { + auto neighbor_force = force->Calculate(this, neighbor); + if (neighbor_force[0] != 0 || neighbor_force[1] != 0 || + neighbor_force[2] != 0) { + non_zero_neighbor_forces++; + translation_velocity_on_point_mass[0] += neighbor_force[0]; + translation_velocity_on_point_mass[1] += neighbor_force[1]; + translation_velocity_on_point_mass[2] += neighbor_force[2]; + } + }); + ctxt->ForEachNeighbor(calculate_neighbor_forces, *this, squared_radius); + + if (non_zero_neighbor_forces > 1) { + SetStaticnessNextTimestep(false); + } + } + + // Two step Adams-Bashforth approximation of the time derivative for position + // position(t + dt) ≈ position(t) + dt * [ 1.5 * velocity(t) - 0.5 * velocity(t - dt) ] + movement_at_next_step += translation_velocity_on_point_mass * kDnew + older_velocity_ * kDold; + + older_velocity_ = translation_velocity_on_point_mass; + + return movement_at_next_step;//Displacement +} + +//Compute new oxygen or immunostimulatory factor concentration after consumption/ secretion +real_t TumorCell::ConsumeSecreteSubstance(int substance_id, real_t old_concentration) { + // constant1_oxygen_ = 0; // Debug + // constant2_oxygen_ = 1.3; // Debug + real_t res; + if (substance_id == oxygen_dgrid_->GetContinuumId()) { + res= (old_concentration + constant1_oxygen_) / constant2_oxygen_;// consuming oxygen + } else if (substance_id == immunostimulatory_factor_dgrid_->GetContinuumId()) { + res= (old_concentration + constant1_immunostimulatory_factor_) / constant2_immunostimulatory_factor_;// secreting immunostimulatory factor + } else { + throw std::invalid_argument("Unknown substance id: " + std::to_string(substance_id)); + } + return res; +} + +void TumorCell::ComputeConstantsConsumptionSecretion() { + // constant1_= dt · (V_k / V_voxel) · S_k · ρ*_k) + // constant2_ = [1 + dt · (V_k / V_voxel) · (S_k + U_k)] + // where: + // S_k = secretion rate of cell k + // U_k = uptake (consumption) rate of cell k + // ρ*_k = saturation (target) density for secretion + // V_k = volume of the cell k + // V_voxel = volume of the voxel containing the cell + // dt = simulation time step + + real_t new_volume = this->GetVolume(); + //compute the constants for the differential equation explicit solution: for oxygen and immunostimulatory factor + //dt*(cell_volume/voxel_volume)*quantity_secretion*substance_saturation = dt · (V_k / V_voxel) · S_k · ρ*_k) + constant1_oxygen_ = 0.; + constant1_immunostimulatory_factor_ = immunostimulatory_factor_secretion_rate_ * kSaturationDensityImmunostimulatoryFactor * kDtSubstances * (new_volume / kVoxelVolume);// Scale by the volume of the cell in the Voxel and time step + //1 + dt*(cell_volume/voxel_volume)*(quantity_secretion + quantity_consumption ) = [1 + dt · (V_k / V_voxel) · (S_k + U_k)] + constant2_oxygen_ = 1 + kDtSubstances * (new_volume/ kVoxelVolume) * (oxygen_consumption_rate_);// Scale by the volume of the cell in the Voxel and time step + constant2_immunostimulatory_factor_ = 1 + kDtSubstances * (new_volume/ kVoxelVolume) * (immunostimulatory_factor_secretion_rate_);// Scale by the volume of the cell in the Voxel and time step +} + +/// Main behavior executed at each simulation step +void StateControlGrowProliferate::Run(Agent* agent) { + + auto* sim = Simulation::GetActive(); + if(sim->GetScheduler()->GetSimulatedSteps() % kStepsPerCycle != 0){return;}// Run only every kDtCycle minutes, fmod does not work with the type returned by GetSimulatedTime() + //Debug + // // Print simulation minute and number of TumorCell agents + // int num_steps = sim->GetScheduler()->GetSimulatedSteps(); + // int current_minute = 6 * num_steps; + // size_t num_cells = sim->GetResourceManager()->GetNumAgents(); + // int current_hour = current_minute / 60; + // int current_day = current_hour / 24; + // std::cout << "Dia: " << current_day << " Hora: " << (current_hour % 24) + // << " Minuto: " << (current_minute % 60) + // << " Numero de celulas: " << num_cells << std::endl; + // // ---------------------------------------- + // // End Debug + + if (auto* cell = dynamic_cast(agent)) { + + if (cell->IsAttachedToCart()) { + // If the cell is attached to a cart, skip the state control and growth + return; + } + // Oxygen levels + Real3 current_position = cell->GetPosition(); + auto* oxygen_dgrid = cell->GetOxygenDiffusionGrid(); // Pointer to the oxygen diffusion grid + real_t oxygen_level = oxygen_dgrid->GetValue(current_position); + // oxygen_level = 30.; // Debug + + // Debug + // std::cout << oxygen_level << std::endl; + + real_t multiplier; + real_t final_rate_transition; + + switch (cell->GetState()) + { + case TumorCellState::kAlive:{//the cell is growing to real_t its size before mitosis + cell->SetTimerState(cell->GetTimerState() + kDtCycle); // Increase timer_state to track time in this state (kDtCycle minutes per step) + + + if (this->ShouldEnterNecrosis(oxygen_level, cell)) { // Enter necrosis if oxygen level is too low + return; // Exit the function to prevent further processing + } + + //volume change + cell->ChangeVolumeExponentialRelaxationEquation(kVolumeRelaxarionRateAliveCytoplasm, + kVolumeRelaxarionRateAliveNucleus, + kVolumeRelaxarionRateAliveFluid); // The cell grows to real_t its size + //cell state control + multiplier = 1.0; // Default multiplier for transition cycle + if (oxygen_level < kOxygenSaturationInProliferation) {//oxygen threshold for considering an effect on the proliferation cycle + multiplier = (oxygen_level-kOxygenLimitForProliferation)/(kOxygenSaturationInProliferation-kOxygenLimitForProliferation); + } + if(oxygen_level < kOxygenLimitForProliferation) { + multiplier = 0.0; // If oxygen is below the limit, set multiplier to 0 + } + // double multiplier1 = multiplier; //Debug + + + final_rate_transition= cell->GetTransformationRandomRate() * multiplier * cell->GetOncoproteineLevel(); // Calculate the rate of state change based on oxygen level and oncoproteine (min^-1) + + //Debug + int current_time = sim->GetScheduler()->GetSimulatedSteps()* kDt; // Get the current time step in minutes + std::ofstream file("output/simulation_data_mine" + std::to_string(current_time/(12*60)) + ".csv", std::ios::app); + if (file.is_open()) { + file << oxygen_level << "," + << cell->GetOncoproteineLevel() << "," + <GetTransformationRandomRate()<< "," + << final_rate_transition << "\n"; + } + //End Debug + + //Debug Debug Output params + // std::ofstream file2("output/params_o2_oncoproteine.csv", std::ios::app); + // if (file2.is_open()) { + + // // Write data to CSV file + // file2 << currennt_time << ",multiplier1," + // << multiplier1 << ",multiplier2," + // << multiplier2 << ",transition_rate," + // << final_rate_transition + // <<"\n"; + // } + // End Debug Output + //End Debug + + // //volume change + // cell->ChangeVolumeExponentialRelaxationEquation(kVolumeRelaxarionRateAliveCytoplasm, + // kVolumeRelaxarionRateAliveNucleus, + // kVolumeRelaxarionRateAliveFluid); // The cell grows to real_t its size + // //cell state control + // multiplier = 1.0; // Default multiplier for transition cycle + // if (oxygen_level < kOxygenSaturationInProliferation) {//oxygen threshold for considering an effect on the proliferation cycle + // multiplier = (oxygen_level-kOxygenLimitForProliferation)/(kOxygenSaturationInProliferation-kOxygenLimitForProliferation); + // } + // if(oxygen_level < kOxygenLimitForProliferation) { + // multiplier = 0.0; // If oxygen is below the limit, set multiplier to 0 + // } + + + // final_rate_transition= cell->GetTransformationRandomRate() * multiplier * cell->GetOncoproteineLevel(); // Calculate the rate of state change based on oxygen level and oncoproteine (min^-1) + + real_t time_to_wait=1e100; // Set a very large time to avoid division by zero + if (final_rate_transition > 0) { + time_to_wait = 1./final_rate_transition; // Calculate the time to transition (in minutes ) + } + if (time_to_wait< cell->GetTimerState()) { // If the timer_state exceeds the time to transition, change state (this is a fixed duration transition) + //mitosis: cell divides + cell->SetState(TumorCellState::kAlive); + cell->Divide(); + cell->SetTimerState(0); // Reset timer_state + } + break; + } + case TumorCellState::kNecroticSwelling:{//the cell is swelling before lysing + cell->SetTimerState(cell->GetTimerState() + kDtCycle); // Increase timer_state to track time in this state (kDtCycle minutes per step) + //volume change + cell->ChangeVolumeExponentialRelaxationEquation(kVolumeRelaxarionRateCytoplasmNecroticSwelling, + kVolumeRelaxarionRateNucleusNecroticSwelling, + kVolumeRelaxarionRateFluidNecroticSwelling);// The cell swells + if (cell->GetVolume() >= 2*kDefaultVolumeNewTumorCell) { // If the cell has swollen to 2 times its original volume, it lyses + cell->SetState(TumorCellState::kNecroticLysed); // Change state to necrotic lysed + cell->SetTimerState(0); // Reset timer_state + // Set target volume to 0 (the cell will shrink) + cell->SetTargetCytoplasmSolid(0.0); + cell->SetTargetNucleusSolid(0.0); + cell->SetTargetFractionFluid(0.0); + cell->SetTargetRelationCytoplasmNucleus(0.0); + // Stop secretion and consumption rate + cell->SetOxygenConsumptionRate(0.0);//Stop consumption + cell->SetImmunostimulatoryFactorSecretionRate(0.0);//Stop secretion + cell->ComputeConstantsConsumptionSecretion(); // Update constants for all ConsumptionSecretion of Oxygen and Immunostimulatory Factors + } + break; + } + case TumorCellState::kNecroticLysed:{//the cell is shirinking and will be removed after a certain time + cell->SetTimerState(cell->GetTimerState() + kDtCycle); // Increase timer_state to track time in this state (kDtCycle minutes per step) + //volume change + cell->ChangeVolumeExponentialRelaxationEquation(kVolumeRelaxarionRateCytoplasmNecroticLysed, + kVolumeRelaxarionRateNucleusNecroticLysed, + kVolumeRelaxarionRateFluidNecroticLysed);// The cell shrinks + if (kTimeLysis < cell->GetTimerState()) { // If the timer_state exceeds the time to transition (this is a fixed duration transition) + //remove the cell from the simulation + auto* ctxt = sim->GetExecutionContext(); + ctxt->RemoveAgent(agent->GetUid()); + } + break; + } + case TumorCellState::kApoptotic:{ + //CHANGE write this in the function that causes apoptosis + // //Stop Secretion and reduce consumption + // for (auto* beh : cell->GetAllBehaviors()) { + // if (auto* c = dynamic_cast(beh)) {c->SetQuantity(c->GetQuantity()*kReductionConsumptionDeadCells);}// Reduce consumption rate + // else if (auto* s = dynamic_cast(beh)) {s->SetQuantity(0);} // Stop secretion of immunostimulatory factor + // } + // cell->SetType(5); // Set type to 5 to indicate dead cell + + cell->SetTimerState(cell->GetTimerState() + kDtCycle); // Increase timer_state to track time in this state (kDtCycle minutes per step) + //volume change CHANGe check if it should indeed be reduced to 0 + cell->ChangeVolumeExponentialRelaxationEquation(kVolumeRelaxarionRateCytoplasmApoptotic, + kVolumeRelaxarionRateNucleusApoptotic, + kVolumeRelaxarionRateFluidApoptotic);// The cell shrinks + if (kTimeApoptosis < cell->GetTimerState()) { // If the timer_state exceeds the time to transition (this is a fixed duration transition) + //remove the cell from the simulation + auto* ctxt = sim->GetExecutionContext(); + ctxt->RemoveAgent(agent->GetUid()); + } + break; + } + default:{ + Log::Error("StateControlGrowProliferate::Run", "Unknown TumorCellState"); + break; + } + } + } else { + Log::Error("StateControlGrowProliferate::Run", "SimObject is not a TumorCell"); + } +} + +// computes the probability of the cell entering necrosis +bool StateControlGrowProliferate::ShouldEnterNecrosis(real_t oxygen_level,TumorCell* cell) const { + //necrosis probability + real_t multiplier= 0.0; // Default multiplier for necrosis probability + + if (oxygen_level < kOxygenLimitForNecrosis){//oxygen threshold for considering necrosis + multiplier = (kOxygenLimitForNecrosis-oxygen_level)/(kOxygenLimitForNecrosis-kOxygenLimitForNecrosisMaximum); + } + if (oxygen_level < kOxygenLimitForNecrosisMaximum) {//threshold for maximum necrosis probability + multiplier = 1.0; + } + + real_t probability_necrosis= kDtCycle //multiply by kDtCycle since each timestep is kDtCycle minutes + * kMaximumNecrosisRate * multiplier; // Calculate the probability of necrosis based on oxygen level + + auto* sim = Simulation::GetActive(); + auto* random = sim->GetRandom(); + bool enter_necrosis = random->Uniform(0, 1) < probability_necrosis; + if(enter_necrosis){ // If the random number is less than the probability, enter necrosis + cell->SetState(TumorCellState::kNecroticSwelling); // If oxygen is too low, enter necrosis + cell->SetTimerState(0); // Reset timer_state + + //Stop Secretion and reduce consumption + cell->SetImmunostimulatoryFactorSecretionRate(0.0);//Stop secretion + cell->SetOxygenConsumptionRate(cell->GetOxygenConsumptionRate()*kReductionConsumptionDeadCells);//Reduce consumption + cell->ComputeConstantsConsumptionSecretion(); // Update constants for all ConsumptionSecretion of Oxygen and Immunostimulatory Factors + + // The cell will swell getting filled with fluid + cell->SetTargetCytoplasmSolid(0); + cell->SetTargetNucleusSolid(0); + cell->SetTargetFractionFluid(1.0); // Set target fraction of fluid to 1.0 + cell->SetTargetRelationCytoplasmNucleus(0.0); + cell->SetType(5); // Set type to 5 to indicate dead cell + } + return enter_necrosis; // Return whether the cell entered necrosis +} + +} // namespace bdm \ No newline at end of file diff --git a/src/tumor_cell.h b/src/tumor_cell.h new file mode 100644 index 0000000..c680320 --- /dev/null +++ b/src/tumor_cell.h @@ -0,0 +1,173 @@ +// ----------------------------------------------------------------------------- +// Copyright (C) 2025 Salvador de la Torre Gonzalez +// Co-author: Luciana Melina Luque +// +// Licensed under the Apache License, Version 2.0 (the "License"); +// you may not use this file except in compliance with the License. +// You may obtain a copy of the License at +// +// http://www.apache.org/licenses/LICENSE-2.0 +// +// Unless required by applicable law or agreed to in writing, software +// distributed under the License is distributed on an "AS IS" BASIS, +// WITHOUT WARRANTIES OR CONDITIONS OF ANY KIND, either express or implied. +// See the License for the specific language governing permissions and +// limitations under the License. +// ----------------------------------------------------------------------------- + +#ifndef TUMOR_CELL_H_ +#define TUMOR_CELL_H_ + +#include "biodynamo.h" +#include "core/util/log.h" +#include "core/util/root.h" +#include "hyperparams.h" +#include "utils_aux.h" + +namespace bdm { + +// ───────────────────────────── +// TumorCellState Enum Definition +// ───────────────────────────── +/// Enum representing the different states of a tumor cell including the different proliferation phases of the protein Ki67 expression +enum class TumorCellState : int { + // growing schedule of a living cell + kAlive=0, + + // Death schedule of a necrotic cell: death by necrosis + kNecroticSwelling = 1, // Necrotic swelling phase (the cell loses membrane integrity and starts absorbing fluid, swelling abnormally in volume before rupture) + kNecroticLysed = 2, // Necrotic lysed phase (the cell membrane breaks apart, releasing its contents; the cell is now considered dead and will be removed from the simulation after a defined time) + + // Apoptotic schedule of a apoptotic cell: controled death + kApoptotic=3 // Apoptotic phase (the cell is undergoing programmed cell death characterized by cell shrinkage) +}; + +// ───────────────────────────── +// TumorCell Class Definition +// ───────────────────────────── +class TumorCell : public Cell { + BDM_AGENT_HEADER(TumorCell, Cell, 1); + + public: + TumorCell() {} + explicit TumorCell(const Real3& position); + virtual ~TumorCell() {} + + /// Called when a new agent is created (e.g., after cell division) + void Initialize(const NewAgentEvent& event) override; + + //Getters and Setters + void SetState(TumorCellState state) { state_ = state; } + TumorCellState GetState() const { return state_; } + + void SetTimerState(int timer_state) { timer_state_ = timer_state; } + int GetTimerState() const { return timer_state_; } + + void SetOncoproteineLevel(real_t level); + real_t GetOncoproteineLevel() const { return oncoproteine_level_; } + + void SetFluidFraction(real_t fluid_fraction) { fluid_fraction_ = fluid_fraction; } + real_t GetFluidFraction() const { return fluid_fraction_; } + + void SetNuclearVolume(real_t nuclear_volume) { nuclear_volume_ = nuclear_volume; } + real_t GetNuclearVolume() const { return nuclear_volume_; } + + void SetTargetCytoplasmSolid(real_t target_cytoplasm_solid) { target_cytoplasm_solid_ = target_cytoplasm_solid; } + real_t GetTargetCytoplasmSolid() const { return target_cytoplasm_solid_; } + + void SetTargetNucleusSolid(real_t target_nucleus_solid) { target_nucleus_solid_ = target_nucleus_solid; } + real_t GetTargetNucleusSolid() const { return target_nucleus_solid_; } + + void SetTargetFractionFluid(real_t target_fraction_fluid) { target_fraction_fluid_ = target_fraction_fluid; } + real_t GetTargetFractionFluid() const { return target_fraction_fluid_; } + + void SetTargetRelationCytoplasmNucleus(real_t target_relation_cytoplasm_nucleus) { target_relation_cytoplasm_nucleus_ = target_relation_cytoplasm_nucleus; } + real_t GetTargetRelationCytoplasmNucleus() const { return target_relation_cytoplasm_nucleus_; } + + void SetTransformationRandomRate(); + real_t GetTransformationRandomRate() const { return transformation_random_rate_; } + + void SetAttachedToCart(bool attached) { attached_to_cart_ = attached; } + bool IsAttachedToCart() const { return attached_to_cart_; } + + void SetType(int type) { type_ = type; } + int GetType() const { return type_; } + + Real3 GetOlderVelocity() const { return older_velocity_; } + void SetOlderVelocity(const Real3& velocity) { older_velocity_ = velocity; } + + real_t GetOxygenConsumptionRate() const { return oxygen_consumption_rate_; } + void SetOxygenConsumptionRate(real_t rate) { oxygen_consumption_rate_ = rate; } + + real_t GetImmunostimulatoryFactorSecretionRate() const { return immunostimulatory_factor_secretion_rate_; } + void SetImmunostimulatoryFactorSecretionRate(real_t rate) { immunostimulatory_factor_secretion_rate_ = rate; } + + real_t GetTargetTotalVolume(); + + /// Returns the diffusion grid for oxygen + DiffusionGrid* GetOxygenDiffusionGrid() const { return oxygen_dgrid_; } + /// Returns the diffusion grid for immunostimulatory factors + DiffusionGrid* GetImmunostimulatoryFactorDiffusionGrid() const { return immunostimulatory_factor_dgrid_; } + + // This method explicitly solves the system of exponential relaxation differential equation using a discrete + // update step. It is used to grow or shrink the volume (and proportions) smoothly toward a desired target + // volume over time. The relaxations rate controls the speed of convergence and dt=1 (the time_step). + void ChangeVolumeExponentialRelaxationEquation(real_t relaxation_rate_cytoplasm, real_t relaxation_rate_nucleus, real_t relaxation_rate_fluid); + + //compute Displacement + Real3 CalculateDisplacement(const InteractionForce* force, + real_t squared_radius, real_t dt) override; + + //Compute new oxygen or immunostimulatory factor concentration after consumption/ secretion + real_t ConsumeSecreteSubstance(int substance_id, real_t old_concentration); + + //constants after cell's change of volume or quantities + void ComputeConstantsConsumptionSecretion(); + + //Attributes + private: + TumorCellState state_; // Current state of the tumor cell + int timer_state_;//timer to track time in the current state (in minutes) + DiffusionGrid* oxygen_dgrid_; // Pointer to the oxygen diffusion grid + DiffusionGrid* immunostimulatory_factor_dgrid_; // Pointer to the immunostimulatory_factor diffusion grid + real_t oncoproteine_level_;// Level of oncoproteine expression + real_t transformation_random_rate_; // Transition random rate between states. Affects the probability of transitioning and depends on the cell: it is kept constant during the cell's life + bool attached_to_cart_; // Flag to indicate if the cell is attached to a cart + //volumes + real_t fluid_fraction_; + real_t nuclear_volume_; // Volume of the nucleus + // Target volume for growing (or shrinking) tumor cells. The change of volume follows a exponential relaxation equation with this target volume + real_t target_cytoplasm_solid_; + real_t target_nucleus_solid_; + real_t target_fraction_fluid_; + real_t target_relation_cytoplasm_nucleus_; + int type_;//type acording to the oncoproteine level: 1, 2, 3 or 4. 1 is the most muttated and ploriferative type and 4 is the least aggressive one. Type 5 means dead + Real3 older_velocity_; // Velocity of the cell in the previous step + real_t oxygen_consumption_rate_; + real_t immunostimulatory_factor_secretion_rate_; + //constants for ConsumptionSecretion differential equation solution + real_t constant1_oxygen_; + real_t constant2_oxygen_; + real_t constant1_immunostimulatory_factor_; + real_t constant2_immunostimulatory_factor_; +}; + +// ───────────────────────────── +// Behavior: StateControlGrowProliferate +// ───────────────────────────── +struct StateControlGrowProliferate : public Behavior { + BDM_BEHAVIOR_HEADER(StateControlGrowProliferate, Behavior, 1); + + StateControlGrowProliferate() { AlwaysCopyToNew(); } + virtual ~StateControlGrowProliferate() {} + + void Run(Agent* agent) override; + + private: + // computes the probability of the cell entering necrosis + bool ShouldEnterNecrosis(real_t oxygen_level,TumorCell* cell) const; +}; + +} // namespace bdm + +#endif // TUMOR_CELL_H_ \ No newline at end of file diff --git a/src/utils_aux.cc b/src/utils_aux.cc new file mode 100644 index 0000000..ead04de --- /dev/null +++ b/src/utils_aux.cc @@ -0,0 +1,225 @@ +// ----------------------------------------------------------------------------- +// Copyright (C) 2025 Salvador de la Torre Gonzalez +// Co-author: Luciana Melina Luque +// +// Licensed under the Apache License, Version 2.0 (the "License"); +// you may not use this file except in compliance with the License. +// You may obtain a copy of the License at +// +// http://www.apache.org/licenses/LICENSE-2.0 +// +// Unless required by applicable law or agreed to in writing, software +// distributed under the License is distributed on an "AS IS" BASIS, +// WITHOUT WARRANTIES OR CONDITIONS OF ANY KIND, either express or implied. +// See the License for the specific language governing permissions and +// limitations under the License. +// ----------------------------------------------------------------------------- + +#include "utils_aux.h" + +namespace bdm { + +// Samples a Gaussian value with given mean and standard deviation but all negative values are mapped to zero +real_t SamplePositiveGaussian(float mean, float sigma) { + auto* random = Simulation::GetActive()->GetRandom(); + real_t value = random->Gaus(mean, sigma); + if(value < 0.) {value = 0.;} + return value; +} + +// In a future version, consider using this Behavior but controlling the time in which it is applied so that it is executed always after the diffusion module +// ConsumptionSecretion::ConsumptionSecretion(const std::string& substance, real_t quantity_consumption, real_t quantity_secretion, real_t substance_saturation_density){ +// dgrid_ = Simulation::GetActive()->GetResourceManager()->GetDiffusionGrid(substance); +// substance_saturation_density_ = substance_saturation_density; +// this->SetQuantities(quantity_consumption,quantity_secretion); +// AlwaysCopyToNew(); +// } + +// ConsumptionSecretion::ConsumptionSecretion(DiffusionGrid* dgrid, real_t quantity_consumption, real_t quantity_secretion,real_t substance_saturation_density){ +// dgrid_ = dgrid; +// substance_saturation_density_ = substance_saturation_density; +// this->SetQuantities(quantity_consumption,quantity_secretion); +// AlwaysCopyToNew(); +// } + +// void ConsumptionSecretion::Initialize(const NewAgentEvent& event) { +// Base::Initialize(event); +// auto* other = bdm_static_cast(event.existing_behavior); +// dgrid_ = other->dgrid_; +// quantity_consumption_ = other->quantity_consumption_; +// quantity_secretion_ = other->quantity_secretion_; +// substance_saturation_density_ = other->substance_saturation_density_; +// constant1_ = other->constant1_; +// constant2_ = other->constant2_; +// } + +// void ConsumptionSecretion::Run(Agent* agent) { + +// const auto& pos = agent->GetPosition(); + +// // // std::cout<<"constant1: "<GetValue(pos); +// new_conc = (conc + constant1_) / constant2_; // Equation solution +// dgrid_->ChangeConcentrationBy(pos, new_conc - conc, InteractionMode::kAdditive, false);//CHANGE to use SetConcentration from DiffusionThomasAlgorithm +// } + +// // double current_time = Simulation::GetActive()->GetScheduler()->GetSimulatedSteps()* kDt; // Get the current time step in minutes +// // std::ofstream file("output/consumptions_mine.csv", std::ios::app);////Debug +// // if (file.is_open()) { +// // file << current_time << "," << conc << "," << constant1_ << "," << constant2_ << "," << new_conc <<"\n"; +// // } +// // double current_time = Simulation::GetActive()->GetScheduler()->GetSimulatedSteps()* kDt; // Get the current time step in minutes +// // std::ofstream file("output/consumptions_mine" + std::to_string(current_time) + ".csv", std::ios::app);////Debug//(12*60)) + ".csv", std::ios::app); +// // if (file.is_open()) { +// // file << conc << "," << constant1_ << "," << constant2_ << "," << new_conc <<"\n"; + + +// // } +// // Debug: print all parameters and values if new concentration > 100 +// // if (new_conc > 100) { +// // std::cout << "Debug ConsumptionSecretion:\n"; +// // std::cout << " Position: (" << pos[0] << ", " << pos[1] << ", " << pos[2] << ")\n"; +// // std::cout << " conc (current concentration): " << conc << "\n"; +// // std::cout << " constant1: " << constant1_ << "\n"; +// // std::cout << " constant2: " << constant2_ << "\n"; +// // std::cout << " new_conc: " << new_conc << "\n"; +// // std::cout << " quantity_consumption_: " << quantity_consumption_ << "\n"; +// // std::cout << " quantity_secretion_: " << quantity_secretion_ << "\n"; +// // std::cout << " substance_saturation_density_: " << substance_saturation_density_ << "\n"; +// // std::cout << " kDt: " << kDt << "\n"; +// // std::cout << " kDefaultVolumeNewTumorCell: " << kDefaultVolumeNewTumorCell << "\n"; +// // std::cout << " kVoxelVolume: " << kVoxelVolume << "\n"; +// // //stop simulation +// // throw std::runtime_error("Aborting simulation due to high concentration in ConsumptionSecretion."); +// // } +// } + +// void ConsumptionSecretion::SetQuantities(real_t quantity_consumption, real_t quantity_secretion) {// Set quantities for consumption and secretion by giving them already scaled +// quantity_consumption_ = quantity_consumption; +// quantity_secretion_ = quantity_secretion; +// } + +// void ConsumptionSecretion::ComputeConstants(real_t total_volume) { +// //compute the constants for the differential equation explicit solution +// //dt*(cell_volume/voxel_volume)*quantity_secretion*substance_saturation = dt · (V_k / V_voxel) · S_k · ρ*_k) +// constant1_ = quantity_secretion_ * substance_saturation_density_ * kDt * (total_volume / kVoxelVolume);// Scale by the volume of the cell in the Voxel and time step +// //1 + dt*(cell_volume/voxel_volume)*(quantity_secretion + quantity_consumption ) = [1 + dt · (V_k / V_voxel) · (S_k + U_k)] +// constant2_ = 1 + kDt * (total_volume/ kVoxelVolume) * (quantity_secretion_ + quantity_consumption_);// Scale by the volume of the cell in the Voxel and time step +// } + +std::vector CreateSphereOfTumorCells(real_t sphere_radius) { + // V = (4/3)*pi*r^3 = (pi/6)*diameter^3 + real_t cell_radius = std::cbrt(kDefaultVolumeNewTumorCell * 6 / Math::kPi)/2; + + std::vector positions; + + // Hexagonal close-packing spacing + real_t spacing_x = cell_radius * std::sqrt(3.0); + real_t spacing_y = cell_radius * 2.0; + real_t spacing_z = cell_radius * std::sqrt(3.0); + + int zc = 0; + for (real_t z = -sphere_radius; z < sphere_radius; z += spacing_z, ++zc) { + int xc = 0; + for (real_t x = -sphere_radius; x < sphere_radius; x += spacing_x, ++xc) { + int yc = 0; + for (real_t y = -sphere_radius; y < sphere_radius; y += spacing_y, ++yc) { + + // Compute cell center with HCP offset + real_t px = x + (zc % 2) * 0.5 * cell_radius; + real_t py = y + (xc % 2) * cell_radius; + real_t pz = z; + + real_t dist = std::sqrt(px * px + py * py + pz * pz); + + if (dist <= sphere_radius) { + positions.push_back({px, py, pz}); + } + } + } + } + + return positions; +} + +//Function to compute the number of tumor cells of each type and the radius of the tumor +std::tuple ComputeNumberTumorCellsAndRadius() { + auto* rm = Simulation::GetActive()->GetResourceManager(); + size_t total_num_tumor_cells = 0; + size_t num_tumor_cells_type1 = 0; + size_t num_tumor_cells_type2 = 0; + size_t num_tumor_cells_type3 = 0; + size_t num_tumor_cells_type4 = 0; + size_t num_tumor_cells_type5_dead = 0; + + real_t max_dist_sq = 0.0; + + rm->ForEachAgent([&](const Agent* agent) { + if (auto* tumor_cell = dynamic_cast(agent)) { + total_num_tumor_cells++; + const auto& pos = agent->GetPosition(); + real_t dist_sq = pos[0]*pos[0] + pos[1]*pos[1] + pos[2]*pos[2]; + if (dist_sq > max_dist_sq) { + max_dist_sq = dist_sq; + } + + // Count tumor cells by type + switch (tumor_cell->GetType()) { + case 1: num_tumor_cells_type1++; break; + case 2: num_tumor_cells_type2++; break; + case 3: num_tumor_cells_type3++; break; + case 4: num_tumor_cells_type4++; break; + case 5: num_tumor_cells_type5_dead++; break; + default: break; + } + } + }); + return {total_num_tumor_cells, num_tumor_cells_type1, num_tumor_cells_type2, num_tumor_cells_type3, num_tumor_cells_type4, num_tumor_cells_type5_dead, std::sqrt(max_dist_sq)}; +} + +// Function to output summary CSV +void OutputSummary::operator()() { + auto* scheduler = Simulation::GetActive()->GetScheduler(); + auto current_step = scheduler->GetSimulatedSteps(); + + if (current_step % frequency_ == 0) { + std::ofstream file("output/final_data.csv", std::ios::app); + if (file.is_open()) { + if (current_step == 0) { + file << "total_days,total_hours,total_minutes,tumor_radius,num_cells,num_tumor_cells,tumor_cells_type1,tumor_cells_type2,tumor_cells_type3,tumor_cells_type4,tumor_cells_type5_dead\n";// Header for CSV file + } + + // Calculate time in days, hours, minutes + double total_minutes = Simulation::GetActive()->GetScheduler()->GetSimulatedTime(); + double total_hours = total_minutes / 60.0; + double total_days = total_hours / 24.0; + + // Count total cells, tumor cells of each type and tumor radius + size_t total_num_tumor_cells; + size_t num_tumor_cells_type1, num_tumor_cells_type2, num_tumor_cells_type3, num_tumor_cells_type4, num_tumor_cells_type5_dead; + real_t tumor_radius; + std::tie(total_num_tumor_cells, num_tumor_cells_type1, num_tumor_cells_type2, num_tumor_cells_type3, num_tumor_cells_type4, num_tumor_cells_type5_dead, tumor_radius) = ComputeNumberTumorCellsAndRadius(); + // Write data to CSV file + file << total_days << "," + << total_hours << "," + << total_minutes << "," + << tumor_radius << "," + << Simulation::GetActive()->GetResourceManager()->GetNumAgents() << ","//number of cells + << total_num_tumor_cells << "," + << num_tumor_cells_type1 << "," + << num_tumor_cells_type2 << "," + << num_tumor_cells_type3 << "," + << num_tumor_cells_type4 << "," + << num_tumor_cells_type5_dead << "\n"; + } + } +} + +} // namespace bdm \ No newline at end of file diff --git a/src/utils_aux.h b/src/utils_aux.h new file mode 100644 index 0000000..cf88f69 --- /dev/null +++ b/src/utils_aux.h @@ -0,0 +1,124 @@ +// ----------------------------------------------------------------------------- +// Copyright (C) 2025 Salvador de la Torre Gonzalez +// Co-author: Luciana Melina Luque +// +// Licensed under the Apache License, Version 2.0 (the "License"); +// you may not use this file except in compliance with the License. +// You may obtain a copy of the License at +// +// http://www.apache.org/licenses/LICENSE-2.0 +// +// Unless required by applicable law or agreed to in writing, software +// distributed under the License is distributed on an "AS IS" BASIS, +// WITHOUT WARRANTIES OR CONDITIONS OF ANY KIND, either express or implied. +// See the License for the specific language governing permissions and +// limitations under the License. +// ----------------------------------------------------------------------------- + + +#ifndef CORE_UTIL_UTILS_AUX_H_ +#define CORE_UTIL_UTILS_AUX_H_ + +#include "biodynamo.h" +#include "core/util/random.h" +#include "hyperparams.h" +#include "tumor_cell.h" + +namespace bdm { + class TumorCell; // Forward declaration + +// Samples a Gaussian value with given mean and standard deviation but all negative values are mapped to zero +real_t SamplePositiveGaussian(float mean, float sigma); + +// Samples a random antigen pattern from the predefined antigen patterns for CAR-T cells +// inline std::map SampleAntigenPattern(const std::vector, float>>& possibilitiesRecognizedAntigensCart) { +// float accum = 0.0f; + +// float rnumber = Simulation::GetActive()->GetRandom()->Uniform(0.0f, 1.0f); + +// for (const auto& [dictionary, probability] : possibilitiesRecognizedAntigensCart) { +// accum += probability; +// if (rnumber <= accum) { +// return dictionary; +// } +// } + +// // Fallback in case no pattern is selected (should not happen) +// return possibilitiesRecognizedAntigensCart.back().first; +// } + +// ───────────────────────────── +// Behavior: Secretion or consumption of a substance following the differential equation +// ∂ρ/∂t = ∇·(D ∇ρ) − λ · ρ + sum_{cells in voxel}((V_k / V_voxel) · [ S_k · ( ρ*_k − ρ ) − (S_k + U_k) · ρ ]) +// where: +// ρ = concentration of the substance in the microenvironment +// S_k = secretion rate of cell k +// U_k = uptake (consumption) rate of cell k +// ρ*_k = saturation (target) density for secretion +// V_k = volume of the cell k which is approximated to the default volume of a new tumor cell +// V_voxel = volume of the voxel containing the cell +// dt = simulation time step +// +// In this class, we only model the secretion and consumption of the substance, +// not its diffusion, which is: +// (ρ − σ)/dt = sum_{cells in voxel}((V_k / V_voxel) · [ S_k · ( ρ*_k − ρ ) − (S_k + U_k) · ρ ]) +// where σ is the concentration of the substance in the voxel at the previous time step (it can include the diffusion term) +// ρⁿ⁺¹ = (ρⁿ + dt · (V_k / V_voxel) · S_k · ρ*_k) +// / [1 + dt · (V_k / V_voxel) · (S_k + U_k)] +// +// where: +// ρⁿ = current concentration +// ρⁿ⁺¹ = updated concentration after secretion/uptake +// This assumes secretion is toward a saturation level, and uptake is proportional to ρ +// ───────────────────────────── + +// class ConsumptionSecretion : public Behavior { +// BDM_BEHAVIOR_HEADER(ConsumptionSecretion, Behavior, 1); + +// public: +// ConsumptionSecretion() = default; +// explicit ConsumptionSecretion(const std::string& substance, real_t quantity_consumption, real_t quantity_secretion, real_t substance_saturation_density); +// explicit ConsumptionSecretion(DiffusionGrid* dgrid, real_t quantity_consumption, real_t quantity_secretion,real_t substance_saturation_density); + +// virtual ~ConsumptionSecretion() = default; + +// void Initialize(const NewAgentEvent& event) override; + +// void Run(Agent* agent) override; + +// real_t GetConsumption() const { return quantity_consumption_; } +// real_t GetSecretion() const { return quantity_secretion_; } + +// void SetQuantities(real_t quantity_consumption, real_t quantity_secretion);// Set quantities for consumption and secretion by giving them already scaled + +// void ComputeConstants(real_t total_volume); + +// private: +// DiffusionGrid* dgrid_ = nullptr; +// real_t constant1_;// = dt*(cell_volume/voxel_volume)*quantity_secretion*substance_saturation = dt · (V_k / V_voxel) · S_k · ρ*_k) +// real_t constant2_;// = 1 + dt*(cell_volume/voxel_volume)*(quantity_secretion + quantity_consumption ) = [1 + dt · (V_k / V_voxel) · (S_k + U_k)] +// real_t quantity_consumption_; +// real_t quantity_secretion_; +// real_t substance_saturation_density_; // Saturation density for the substance, the agent tries to secrete till this value +// }; + +std::vector CreateSphereOfTumorCells(real_t sphere_radius); + +//Function to compute the number of tumor cells of each type and the radius of the tumor +std::tuple ComputeNumberTumorCellsAndRadius(); + +// Function to output summary CSV +struct OutputSummary : public StandaloneOperationImpl { + BDM_OP_HEADER(OutputSummary); + + uint64_t frequency_ = 1; + + void operator()() override; +}; + +// Register with CPU as compute target +inline BDM_REGISTER_OP(OutputSummary, "OutputSummary", kCpu); + +} // namespace bdm + +#endif // CORE_UTIL_UTILS_AUX_H_ \ No newline at end of file diff --git a/test/test-main.cc b/test/test-main.cc new file mode 100644 index 0000000..c47c7cd --- /dev/null +++ b/test/test-main.cc @@ -0,0 +1,21 @@ +// ----------------------------------------------------------------------------- +// +// Copyright (C) 2021 CERN & University of Surrey for the benefit of the +// BioDynaMo collaboration. All Rights Reserved. +// +// Licensed under the Apache License, Version 2.0 (the "License"); +// you may not use this file except in compliance with the License. +// +// See the LICENSE file distributed with this work for details. +// See the NOTICE file distributed with this work for additional information +// regarding copyright ownership. +// +// ----------------------------------------------------------------------------- + +#include + +int main(int argc, char** argv) { + ::testing::FLAGS_gtest_death_test_style = "threadsafe"; + ::testing::InitGoogleTest(&argc, argv); + return RUN_ALL_TESTS(); +} diff --git a/test/test-suite.cc b/test/test-suite.cc new file mode 100644 index 0000000..b671c8a --- /dev/null +++ b/test/test-suite.cc @@ -0,0 +1,60 @@ +// ----------------------------------------------------------------------------- +// +// Copyright (C) 2021 CERN & University of Surrey for the benefit of the +// BioDynaMo collaboration. All Rights Reserved. +// +// Licensed under the Apache License, Version 2.0 (the "License"); +// you may not use this file except in compliance with the License. +// +// See the LICENSE file distributed with this work for details. +// See the NOTICE file distributed with this work for additional information +// regarding copyright ownership. +// +// ----------------------------------------------------------------------------- + +#include +#include "biodynamo.h" + +// Googletest in combination with the provided CMakeLists.txt allows you to +// define tests in arbitrary .cc files in the `test/` folder. This file should +// serve as an inspiration for testing user-defined, custom behaviors, basic as +// well as compicated functions, or similar things. If you wish to add tests for +// specific aspects, you can either add them to the existing test-suite.cc file +// or create a new *.cc file in the `test/` folder. CMake will handle it +// automatically. For more information regarding testing with Googletest, please +// consider the following sources: +// * https://google.github.io/googletest/primer.html +// * https://github.com/google/googletest + +#define TEST_NAME typeid(*this).name() + +namespace bdm { + +// A function to test +int Compute42() { return 6 * 7; }; + +// Show how to compare two numbers +TEST(UtilTest, NumberTest) { + // Expect equality + EXPECT_EQ(Compute42(), 42); +} + +// Test if we can add agents to the simulation +TEST(AgentTest, AddAgentsToSimulation) { + // Create simulation + Simulation simulation(TEST_NAME); + + // Add some cells to the simulation + auto* rm = simulation.GetResourceManager(); + uint8_t expected_no_cells{20}; + for (int i = 0; i < expected_no_cells; i++) { + auto* cell = new Cell(30); + rm->AddAgent(cell); + } + + // Test if all 20 cells are in the simulation + auto no_cells = rm->GetNumAgents(); + EXPECT_EQ(expected_no_cells, no_cells); +} + +} // namespace bdm From 4667d1ff829a821002d3d4a4250a5a03718aa65a Mon Sep 17 00:00:00 2001 From: salva24 Date: Sat, 16 Aug 2025 15:07:43 +0200 Subject: [PATCH 02/47] cleaned comments to follow Doxygen-style --- draft_code_my_own_analysis/main_test.txt | 115 ---- draft_code_my_own_analysis/plot_dif_eq.py | 420 --------------- draft_code_my_own_analysis/plot_forces.py | 39 +- .../plot_num_cells_nad_radius.py | 37 +- .../plot_oncoproteine_and_oxygen_levels.py | 37 +- .../plot_oxygen_density.py | 35 +- .../plot_type_of_cells.py | 43 +- .../process_csv_files.py | 35 +- .../read_csv_to_compare_levels.py | 87 +-- src/cart_cell.cc | 155 +++--- src/cart_cell.h | 368 +++++++++++-- src/cart_cell_draft.h | 422 --------------- src/cart_tumor.cc | 32 +- src/cart_tumor.h | 200 +++++-- src/diffusion_thomas_algorithm.cc | 46 +- src/diffusion_thomas_algorithm.h | 302 ++++++++--- src/forces_tumor_cart.cc | 49 +- src/forces_tumor_cart.h | 63 ++- src/hyperparams.h | 503 +++++++++++++----- src/tumor_cell.cc | 180 ++++--- src/tumor_cell.h | 461 +++++++++++++--- src/utils_aux.cc | 122 +---- src/utils_aux.h | 183 +++---- 23 files changed, 2026 insertions(+), 1908 deletions(-) delete mode 100644 draft_code_my_own_analysis/main_test.txt delete mode 100644 draft_code_my_own_analysis/plot_dif_eq.py delete mode 100644 src/cart_cell_draft.h diff --git a/draft_code_my_own_analysis/main_test.txt b/draft_code_my_own_analysis/main_test.txt deleted file mode 100644 index bcea8d7..0000000 --- a/draft_code_my_own_analysis/main_test.txt +++ /dev/null @@ -1,115 +0,0 @@ -#ifndef CART_TUMOR_H_ -#define CART_TUMOR_H_ - -#include "biodynamo.h" -#include "tumor_cell.h" -#include "cart_cell.h" -#include "interaction_velocity.h" -#include "core/operation/mechanical_forces_op.h" -namespace bdm { - - - -// List the extracellular substances -enum Substances { kImmunostimulatoryFactor, kOxygen }; - -inline int Simulate(int argc, const char** argv) { - - - - // Set simulation bounds - auto set_param = [](Param* param) { - param->random_seed = kSeed; // Set a fixed random seed for reproducibility - param->bound_space = Param::BoundSpaceMode::kTorus;// Periodic boundary - param->min_bound = -kBoundedSpaceLength / 2; - param->max_bound = kBoundedSpaceLength/2; // Cube of 1000x1000x1000 centered at origin - param->simulation_time_step = kDt; // 0.1 minutes - - }; - - - - Simulation simulation(argc, argv, set_param); - auto* ctxt = simulation.GetExecutionContext(); - - //Change Forces - auto* scheduler = simulation.GetScheduler(); - auto* op = scheduler->GetOps("mechanical forces")[0]; - op->GetImplementation()->SetInteractionForce(new InteractionVelocity()); - - - - - // ─────────────────────────────────────── - // Define Substances - // ─────────────────────────────────────── - // substance_id, name, diffusion_coefficient, decay_constant, resolution - ModelInitializer::DefineSubstance(kOxygen, "oxygen", - kDiffusionCoefficientOxygen,// 100000 micrometers^2/minute - kDecayConstantOxygen, // 0.1 minutes^-1 - kResolutionGridSubstances); - - - - ModelInitializer::DefineSubstance(kImmunostimulatoryFactor, "immunostimulatory_factor", - kDiffusionCoefficientImmunostimulatoryFactor, // 1000 micrometers^2/minute - kDecayConstantImmunostimulatoryFactor, // 0.016 minutes^-1 - kResolutionGridSubstances); - auto* rm = Simulation::GetActive()->GetResourceManager(); - - // change time step of the diffusion grids to a smaller value for higher resolution in diffusion. - auto* oxygen_grid = rm->GetDiffusionGrid(kOxygen); - oxygen_grid->SetTimeStep(kTimeStepOxygen);// 0.001 minutes - auto* immunostimulatory_factor_grid = rm->GetDiffusionGrid(kImmunostimulatoryFactor); - immunostimulatory_factor_grid->SetTimeStep(kTimeStepImmunostimulatoryFactor);// 0.01 minutes - - - // Boundary Conditions Dirichlet: simulating absorption or total loss at the boundaries of the space. - //Oxygen comming from the borders (capillary vessels) - ModelInitializer::AddBoundaryConditions( - kOxygen, BoundaryConditionType::kDirichlet, - std::make_unique(kOxygenReferenceLevel));// kOxygenReferenceLevel mmHg is the physiological level of oxygen in tissues, o2 saturation is 100% at this level - - //immunostimulatory_factor disapearing at the boundaries - ModelInitializer::AddBoundaryConditions( - kImmunostimulatoryFactor, BoundaryConditionType::kPeriodic, nullptr);// for an infinite box - - //Initialize oxygen voxels - ModelInitializer::InitializeSubstance(kOxygen, [](real_t x, real_t y, real_t z) { - return kInitialOxygenLevel; // Set all voxels to kInitialOxygenLevel mmHg - }); - - // size_t num_boxes = oxygen_grid->GetNumBoxes(); - // for (size_t idx = 0; idx < num_boxes; ++idx) {oxygen_grid->ChangeConcentrationBy(idx, kInitialOxygenLevel, InteractionMode::kAdditive);}// Set initial concentration of oxygen in all boxes to kInitialOxygenLevel mmHg - // std::cout << num_boxes << std::endl;//This is 0 - - - // ─────────────────────────────────────── - // One spherical tumor of radius kInitialRadiusTumor in the center of the simulation space - // ─────────────────────────────────────── - std::vector positions=CreateSphereOfTumorCells(kInitialRadiusTumor);//positions of the cells - for (const auto& pos : positions) { - TumorCell* tumor_cell = new TumorCell(pos); - tumor_cell->AddBehavior(new StateControlGrowProliferate()); - ctxt->AddAgent(tumor_cell); - } - - //OutputSummary operation - auto* summary_op = new bdm::Operation("OutputSummary"); - summary_op->frequency_ = kOutputCsvInterval; // Set the interval for outputting CSV files - summary_op->AddOperationImpl(bdm::kCpu, new bdm::OutputSummary()); - scheduler->ScheduleOp(summary_op); - - - - // ─────────────────────────────────────── - // Run simulation - // ─────────────────────────────────────── - scheduler->Simulate(kTotalMinutesToSimulate/kDt); - std::cout << "Simulation completed successfully!" << std::endl; - return 0; -} - -} // namespace bdm - -#endif // CART_TUMOR_H_ diff --git a/draft_code_my_own_analysis/plot_dif_eq.py b/draft_code_my_own_analysis/plot_dif_eq.py deleted file mode 100644 index c8d8af1..0000000 --- a/draft_code_my_own_analysis/plot_dif_eq.py +++ /dev/null @@ -1,420 +0,0 @@ -# ----------------------------------------------------------------------------- -# Copyright (C) 2025 Salvador de la Torre Gonzalez -# Co-author: Luciana Melina Luque -# -# Licensed under the Apache License, Version 2.0 (the "License"); -# you may not use this file except in compliance with the License. -# You may obtain a copy of the License at -# -# http://www.apache.org/licenses/LICENSE-2.0 -# -# Unless required by applicable law or agreed to in writing, software -# distributed under the License is distributed on an "AS IS" BASIS, -# WITHOUT WARRANTIES OR CONDITIONS OF ANY KIND, either express or implied. -# See the License for the specific language governing permissions and -# limitations under the License. -# ----------------------------------------------------------------------------- - -# # ------------------------------------------------------------------------------ -# # Script to simulate and plot the time evolution of cell volume as done in -# # Luciana's paper in order to study necrosis -# # -# # Solves ODEs for fluid and solid volume changes over time: -# # - dF/dt = k_f * (F_target - F) -# # - dNs/dt = k_n * (Ns_target - Ns) -# # - dCs/dt = k_c * (Cs_target - Cs) -# # -# # Total and compartment volumes are updated accordingly. -# # ------------------------------------------------------------------------------ - - - -# import numpy as np -# import matplotlib.pyplot as plt - -# # === Initial Conditions === -# # Based on your Volumen constructor -# total_initial = 2494.0 -# total=total_initial -# fraccion_de_fluido = 0.75 -# fluido = fraccion_de_fluido * total -# solido = total - fluido - -# nuclear = 540.0 -# nuclear_fluido = fraccion_de_fluido * nuclear -# nuclear_solido = nuclear - nuclear_fluido - -# citoplasmatico = total - nuclear -# citoplasmatico_fluido = fraccion_de_fluido * citoplasmatico -# citoplasmatico_solido = citoplasmatico - citoplasmatico_fluido - -# # Parameters -# citoplasma_tasa_de_cambio = 0.0032 /60.0 -# nucleo_tasa_de_cambio = 0.013 / 60.0 -# fluido_tasa_de_cambio = 0.050 /60.0 -# tasa_de_calcificacion = 0.0042 / 60.0 - -# relacion_citoplasma_nucleo = citoplasmatico / ( 1e-16 + nuclear) - -# #TARGET -# target_nucleo_solido = 0 -# target_relacion_citoplasma_nucleo = 0.0 -# target_citoplasma_solido = 0 -# target_fraccion_fluido = 1.0 - -# # For plotting -# time = [] -# total_volume = [] -# fluid_volume = [] -# solid_volume = [] -# fluid_fraction = [] - -# # Simulation settings -# dt = 6 # min -# t_max = 50000 # total time in minutes -# steps = int(t_max / dt) - -# # Initialize dynamic variables -# fraccion_calcificada = 0.0 - -# t_real_t_1= None - -# for step in range(steps): -# t = step * dt - -# # Update fluid volume -# target_fluido = target_fraccion_fluido * total -# fluido += dt * fluido_tasa_de_cambio * (target_fluido - fluido) -# if fluido < 0.0: -# fluido = 0.0 - -# # Update fluid distribution -# nuclear_fluido = (nuclear / total) * fluido -# citoplasmatico_fluido = fluido - nuclear_fluido - -# # Update solid volumes -# nuclear_solido += dt * nucleo_tasa_de_cambio * (target_nucleo_solido - nuclear_solido) -# nuclear_solido = max(0.0, nuclear_solido) - -# target_citoplasma_solido = target_relacion_citoplasma_nucleo * target_nucleo_solido -# citoplasmatico_solido += dt * citoplasma_tasa_de_cambio * (target_citoplasma_solido - citoplasmatico_solido) -# citoplasmatico_solido = max(0.0, citoplasmatico_solido) - -# # Update total components -# solido = nuclear_solido + citoplasmatico_solido -# nuclear = nuclear_solido + nuclear_fluido -# citoplasmatico = citoplasmatico_solido + citoplasmatico_fluido -# total = nuclear + citoplasmatico - -# fraccion_calcificada += dt * tasa_de_calcificacion * (1 - fraccion_calcificada) - - -# fraccion_de_fluido = fluido / (1e-16 + total) - -# # Store for plotting -# time.append(t) -# total_volume.append(total) -# fluid_volume.append(fluido) -# solid_volume.append(solido) -# fluid_fraction.append(fraccion_de_fluido) -# if total > 2*total_initial and t_real_t_1==None: -# print(t, "min") -# t_real_t_1= t -# # === Plotting === -# # plt.figure(figsize=(10, 6)) - -# # plt.plot(time, total_volume, label='Total Volume') -# # plt.plot(time, fluid_volume, label='Fluid Volume') -# # plt.plot(time, solid_volume, label='Solid Volume') -# # plt.plot(time, fluid_fraction, label='Fluid Fraction') - -# # if t_real_t_1 is not None: -# # plt.axvline(x=t_real_t_1, color='red', linestyle='--', label=f'real_t total Volume ({t_real_t_1} min, step={t_real_t_1//dt})') - - -# # plt.xlabel("Time (minutes)") -# # plt.ylabel("Volume (μm³) or Fraction") -# # plt.title("Cell Volume Dynamics Over Time") -# # plt.legend() -# # plt.grid(True) -# # plt.tight_layout() -# # plt.show() - -# # #_-----------------------------------this is the equation I am using in my symplification to have just one volume type------------------------------------------- -# import matplotlib.pyplot as plt - -# # Parameters -# initial_volume = 2494.0 -# current_volume = initial_volume -# target_volume = 4*initial_volume -# relaxation_rate = 0.000059#0.054*(0.35/60)+0.75*(0.05/60)+0.196*(1.0/60) -# dt = 6 -# t_max = 50000 -# steps = int(t_max / dt) - -# # Lists for plotting -# time2 = [] -# volumes = [] - -# # To track when volume real_ts -# t_real_t_2= None - -# # Simulation loop -# for step in range(steps): -# t = step * dt - -# # Update the volume using the formula -# current_volume += (target_volume - current_volume) * relaxation_rate * dt -# volumes.append(current_volume) -# time2.append(t) - -# # Check if volume has real_td -# if current_volume >= 2 * initial_volume and t_real_t_2 is None: -# t_real_t_2 = t -# print(f"Volume real_td at {t_real_t_2} minutes") - -# # # Plotting -# # plt.figure(figsize=(10, 6)) -# # plt.plot(time, volumes, label='Volume') - -# # if t_real_t_2 is not None: -# # plt.axvline(x=t_real_t, color='red', linestyle='--', label=f'real_t Volume ({t_real_t} min, step={t_real_t//dt})') - -# # plt.xlabel("Time (minutes)") -# # plt.ylabel("Volume") -# # plt.title("Volume Evolution Over Time") -# # plt.grid(True) -# # plt.legend() -# # plt.tight_layout() -# # plt.show() - -# # === Plotting Side by Side === -# fig, (ax1, ax2) = plt.subplots(1, 2, figsize=(14, 6), sharex=True, sharey=True) - -# # Plot first model -# ax1.plot(time, total_volume, label='Total Volume') -# ax1.plot(time, fluid_volume, label='Fluid Volume') -# ax1.plot(time, solid_volume, label='Solid Volume') -# ax1.plot(time, fluid_fraction, label='Fluid Fraction') -# if t_real_t_1: -# ax1.axvline(t_real_t_1, color='red', linestyle='--', label=f'real_t at {t_real_t_1} min, step={t_real_t_1//dt}') -# ax1.set_title("Model 1: Detailed Volume Dynamics") -# ax1.set_xlabel("Time (minutes)") -# ax1.set_ylabel("Volume (μm³) or Fraction") -# ax1.grid(True) -# ax1.legend() - -# # Plot second model -# ax2.plot(time2, volumes, label='Volume', color='purple') -# if t_real_t_2: -# ax2.axvline(t_real_t_2, color='red', linestyle='--', label=f'real_t at {t_real_t_2} min, step={t_real_t_2//dt}') -# ax2.set_title("Model 2: Simplified Growth Model") -# ax2.set_xlabel("Time (minutes)") -# ax2.grid(True) -# ax2.legend() - -# plt.tight_layout() -# plt.show() - - -# ------------------------------------------------------------------------------ -# Script to simulate and plot the time evolution of cell volume as done in -# Luciana's paper in order to study necrosis -# -# Solves ODEs for fluid and solid volume changes over time: -# - dF/dt = k_f * (F_target - F) -# - dNs/dt = k_n * (Ns_target - Ns) -# - dCs/dt = k_c * (Cs_target - Cs) -# -# Total and compartment volumes are updated accordingly. -# ------------------------------------------------------------------------------ - - - -import numpy as np -import matplotlib.pyplot as plt - -# === Initial Conditions === -# Based on your Volumen constructor -total_initial = 2494.0 -total=total_initial -fraccion_de_fluido = 0.75 -fluido = fraccion_de_fluido * total -solido = total - fluido - -nuclear = 540.0 -nuclear_fluido = fraccion_de_fluido * nuclear -nuclear_solido = nuclear - nuclear_fluido - -citoplasmatico = total - nuclear -citoplasmatico_fluido = fraccion_de_fluido * citoplasmatico -citoplasmatico_solido = citoplasmatico - citoplasmatico_fluido - -# Parameters -citoplasma_tasa_de_cambio = 0.27/60.0 -nucleo_tasa_de_cambio = 0.33/60.0 -fluido_tasa_de_cambio = 3.0 / 60.0 - -tasa_de_calcificacion = 0.0 - -relacion_citoplasma_nucleo = citoplasmatico / ( 1e-16 + nuclear) - -#TARGET -target_nucleo_solido = 2*nuclear_solido -target_relacion_citoplasma_nucleo = relacion_citoplasma_nucleo -target_citoplasma_solido = 2*citoplasmatico_solido -target_fraccion_fluido = fraccion_de_fluido - -# For plotting -time = [] -total_volume = [] -fluid_volume = [] -solid_volume = [] -fluid_fraction = [] - -# Simulation settings -dt = 6 # min -t_max = 500 # total time in minutes -steps = int(t_max / dt) - -# Initialize dynamic variables -fraccion_calcificada = 0.0 - -t_real_t_1= None - -for step in range(steps): - t = step * dt - - # Update fluid volume - target_fluido = target_fraccion_fluido * total - fluido += dt * fluido_tasa_de_cambio * (target_fluido - fluido) - if fluido < 0.0: - fluido = 0.0 - - # Update fluid distribution - nuclear_fluido = (nuclear / total) * fluido - citoplasmatico_fluido = fluido - nuclear_fluido - - # Update solid volumes - nuclear_solido += dt * nucleo_tasa_de_cambio * (target_nucleo_solido - nuclear_solido) - nuclear_solido = max(0.0, nuclear_solido) - - target_citoplasma_solido = target_relacion_citoplasma_nucleo * target_nucleo_solido - citoplasmatico_solido += dt * citoplasma_tasa_de_cambio * (target_citoplasma_solido - citoplasmatico_solido) - citoplasmatico_solido = max(0.0, citoplasmatico_solido) - - # Update total components - solido = nuclear_solido + citoplasmatico_solido - nuclear = nuclear_solido + nuclear_fluido - citoplasmatico = citoplasmatico_solido + citoplasmatico_fluido - total = nuclear + citoplasmatico - - fraccion_calcificada += dt * tasa_de_calcificacion * (1 - fraccion_calcificada) - - - fraccion_de_fluido = fluido / (1e-16 + total) - - # Store for plotting - time.append(t) - total_volume.append(total) - fluid_volume.append(fluido) - solid_volume.append(solido) - fluid_fraction.append(fraccion_de_fluido) - if total > 2*total_initial and t_real_t_1==None: - print(t, "min") - t_real_t_1= t -# === Plotting === -# plt.figure(figsize=(10, 6)) - -# plt.plot(time, total_volume, label='Total Volume') -# plt.plot(time, fluid_volume, label='Fluid Volume') -# plt.plot(time, solid_volume, label='Solid Volume') -# plt.plot(time, fluid_fraction, label='Fluid Fraction') - -# if t_real_t_1 is not None: -# plt.axvline(x=t_real_t_1, color='red', linestyle='--', label=f'real_t total Volume ({t_real_t_1} min, step={t_real_t_1//dt})') - - -# plt.xlabel("Time (minutes)") -# plt.ylabel("Volume (μm³) or Fraction") -# plt.title("Cell Volume Dynamics Over Time") -# plt.legend() -# plt.grid(True) -# plt.tight_layout() -# plt.show() - -# #_-----------------------------------this is the equation I am using in my symplification to have just one volume type------------------------------------------- -import matplotlib.pyplot as plt - -# Parameters -initial_volume = 2494.0 -current_volume = initial_volume -target_volume = 2*initial_volume -relaxation_rate = 0.054*(0.33/60)+0.75*(3.0/60)+0.196*(0.27/60) -dt = 6 -t_max = 500 -steps = int(t_max / dt) - -# Lists for plotting -time2 = [] -volumes = [] - -# To track when volume real_ts -t_real_t_2= None - -# Simulation loop -for step in range(steps): - t = step * dt - - # Update the volume using the formula - current_volume += (target_volume - current_volume) * relaxation_rate * dt - volumes.append(current_volume) - time2.append(t) - - # Check if volume has real_td - if current_volume >= 2 * initial_volume and t_real_t_2 is None: - t_real_t_2 = t - print(f"Volume real_td at {t_real_t_2} minutes") - -# # Plotting -# plt.figure(figsize=(10, 6)) -# plt.plot(time, volumes, label='Volume') - -# if t_real_t_2 is not None: -# plt.axvline(x=t_real_t, color='red', linestyle='--', label=f'real_t Volume ({t_real_t} min, step={t_real_t//dt})') - -# plt.xlabel("Time (minutes)") -# plt.ylabel("Volume") -# plt.title("Volume Evolution Over Time") -# plt.grid(True) -# plt.legend() -# plt.tight_layout() -# plt.show() - -# === Plotting Side by Side === -fig, (ax1, ax2) = plt.subplots(1, 2, figsize=(14, 6), sharex=True, sharey=True) - -# Plot first model -ax1.plot(time, total_volume, label='Total Volume') -ax1.plot(time, fluid_volume, label='Fluid Volume') -ax1.plot(time, solid_volume, label='Solid Volume') -ax1.plot(time, fluid_fraction, label='Fluid Fraction') -if t_real_t_1: - ax1.axvline(t_real_t_1, color='red', linestyle='--', label=f'real_t at {t_real_t_1} min, step={t_real_t_1//dt}') -ax1.set_title("Model 1: Detailed Volume Dynamics") -ax1.set_xlabel("Time (minutes)") -ax1.set_ylabel("Volume (μm³) or Fraction") -ax1.grid(True) -ax1.legend() - -# Plot second model -ax2.plot(time2, volumes, label='Volume', color='purple') -if t_real_t_2: - ax2.axvline(t_real_t_2, color='red', linestyle='--', label=f'real_t at {t_real_t_2} min, step={t_real_t_2//dt}') -ax2.set_title("Model 2: Simplified Growth Model") -ax2.set_xlabel("Time (minutes)") -ax2.grid(True) -ax2.legend() - -plt.tight_layout() -plt.show() \ No newline at end of file diff --git a/draft_code_my_own_analysis/plot_forces.py b/draft_code_my_own_analysis/plot_forces.py index 030a7f3..8f7d4bf 100644 --- a/draft_code_my_own_analysis/plot_forces.py +++ b/draft_code_my_own_analysis/plot_forces.py @@ -1,19 +1,22 @@ -# ----------------------------------------------------------------------------- -# Copyright (C) 2025 Salvador de la Torre Gonzalez -# Co-author: Luciana Melina Luque -# -# Licensed under the Apache License, Version 2.0 (the "License"); -# you may not use this file except in compliance with the License. -# You may obtain a copy of the License at -# -# http://www.apache.org/licenses/LICENSE-2.0 -# -# Unless required by applicable law or agreed to in writing, software -# distributed under the License is distributed on an "AS IS" BASIS, -# WITHOUT WARRANTIES OR CONDITIONS OF ANY KIND, either express or implied. -# See the License for the specific language governing permissions and -# limitations under the License. -# ----------------------------------------------------------------------------- +""" +Copyright 2025 compiler-research.org, Salvador de la Torre Gonzalez, Luciana Melina Luque + +Licensed under the Apache License, Version 2.0 (the "License"); +you may not use this file except in compliance with the License. +You may obtain a copy of the License at + + http://www.apache.org/licenses/LICENSE-2.0 + SPDX-License-Identifier: Apache-2.0 + +Unless required by applicable law or agreed to in writing, software +distributed under the License is distributed on an "AS IS" BASIS, +WITHOUT WARRANTIES OR CONDITIONS OF ANY KIND, either express or implied. +See the License for the specific language governing permissions and +limitations under the License. + +This file contains a model developed under Google Summer of Code (GSoC) +for the compiler-research.org organization. +""" import pandas as pd import matplotlib.pyplot as plt @@ -34,9 +37,9 @@ # Plot 1: Time vs Coordinate X ax1.plot(df_mine_positive.iloc[:, 0], df_mine_positive.iloc[:, 1], - color='blue', label='My data', linewidth=2, linestyle='-') + color='blue', label='CARTopiaX data', linewidth=2, linestyle='-') ax1.plot(df_theirs_positive.iloc[:, 0], df_theirs_positive.iloc[:, 1], - color='red', label='Their data', linewidth=2, linestyle='--') + color='red', label='Nature Paper data', linewidth=2, linestyle='--') ax1.set_xlabel('Time') ax1.set_ylabel('Coordinate X') ax1.set_title('Time vs Coordinate X') diff --git a/draft_code_my_own_analysis/plot_num_cells_nad_radius.py b/draft_code_my_own_analysis/plot_num_cells_nad_radius.py index a6bd185..50a04f9 100644 --- a/draft_code_my_own_analysis/plot_num_cells_nad_radius.py +++ b/draft_code_my_own_analysis/plot_num_cells_nad_radius.py @@ -1,19 +1,22 @@ -# ----------------------------------------------------------------------------- -# Copyright (C) 2025 Salvador de la Torre Gonzalez -# Co-author: Luciana Melina Luque -# -# Licensed under the Apache License, Version 2.0 (the "License"); -# you may not use this file except in compliance with the License. -# You may obtain a copy of the License at -# -# http://www.apache.org/licenses/LICENSE-2.0 -# -# Unless required by applicable law or agreed to in writing, software -# distributed under the License is distributed on an "AS IS" BASIS, -# WITHOUT WARRANTIES OR CONDITIONS OF ANY KIND, either express or implied. -# See the License for the specific language governing permissions and -# limitations under the License. -# ----------------------------------------------------------------------------- +""" +Copyright 2025 compiler-research.org, Salvador de la Torre Gonzalez, Luciana Melina Luque + +Licensed under the Apache License, Version 2.0 (the "License"); +you may not use this file except in compliance with the License. +You may obtain a copy of the License at + + http://www.apache.org/licenses/LICENSE-2.0 + SPDX-License-Identifier: Apache-2.0 + +Unless required by applicable law or agreed to in writing, software +distributed under the License is distributed on an "AS IS" BASIS, +WITHOUT WARRANTIES OR CONDITIONS OF ANY KIND, either express or implied. +See the License for the specific language governing permissions and +limitations under the License. + +This file contains a model developed under Google Summer of Code (GSoC) +for the compiler-research.org organization. +""" import pandas as pd import matplotlib.pyplot as plt @@ -45,7 +48,7 @@ ax1.set_xlabel('Time (days)') ax1.set_ylabel('Tumor Radius', color=color1) ax1.plot(filtered_df_csv['total_days'], filtered_df_csv['tumor_radius'], - color=color1, marker='o', label='Tumor Radius: Model in BioDynaMo') + color=color1, marker='o', label='Tumor Radius: CARTopiaX') ax1.plot(filtered_df_dat['total_days'], filtered_df_dat['radio'], color=color1, linestyle='--', marker='x', label='Tumor Radius: Model from Nature paper') ax1.tick_params(axis='y', labelcolor=color1) diff --git a/draft_code_my_own_analysis/plot_oncoproteine_and_oxygen_levels.py b/draft_code_my_own_analysis/plot_oncoproteine_and_oxygen_levels.py index 043e443..9d438cb 100644 --- a/draft_code_my_own_analysis/plot_oncoproteine_and_oxygen_levels.py +++ b/draft_code_my_own_analysis/plot_oncoproteine_and_oxygen_levels.py @@ -1,19 +1,22 @@ -# ----------------------------------------------------------------------------- -# Copyright (C) 2025 Salvador de la Torre Gonzalez -# Co-author: Luciana Melina Luque -# -# Licensed under the Apache License, Version 2.0 (the "License"); -# you may not use this file except in compliance with the License. -# You may obtain a copy of the License at -# -# http://www.apache.org/licenses/LICENSE-2.0 -# -# Unless required by applicable law or agreed to in writing, software -# distributed under the License is distributed on an "AS IS" BASIS, -# WITHOUT WARRANTIES OR CONDITIONS OF ANY KIND, either express or implied. -# See the License for the specific language governing permissions and -# limitations under the License. -# ----------------------------------------------------------------------------- +""" +Copyright 2025 compiler-research.org, Salvador de la Torre Gonzalez, Luciana Melina Luque + +Licensed under the Apache License, Version 2.0 (the "License"); +you may not use this file except in compliance with the License. +You may obtain a copy of the License at + + http://www.apache.org/licenses/LICENSE-2.0 + SPDX-License-Identifier: Apache-2.0 + +Unless required by applicable law or agreed to in writing, software +distributed under the License is distributed on an "AS IS" BASIS, +WITHOUT WARRANTIES OR CONDITIONS OF ANY KIND, either express or implied. +See the License for the specific language governing permissions and +limitations under the License. + +This file contains a model developed under Google Summer of Code (GSoC) +for the compiler-research.org organization. +""" import pandas as pd import matplotlib.pyplot as plt @@ -38,7 +41,7 @@ try: # Read data from processed CSV files - df_mine = pd.read_csv(f'processed/simulation_data_mine{i}_processed.csv') + df_mine = pd.read_csv(f'processed/simulation_data_CARTopiaX{i}_processed.csv') df_paper = pd.read_csv(f'processed/simulation_data{i}_processed.csv') # Extract average values for plotting diff --git a/draft_code_my_own_analysis/plot_oxygen_density.py b/draft_code_my_own_analysis/plot_oxygen_density.py index 22daf4b..011f394 100644 --- a/draft_code_my_own_analysis/plot_oxygen_density.py +++ b/draft_code_my_own_analysis/plot_oxygen_density.py @@ -1,19 +1,22 @@ -# ----------------------------------------------------------------------------- -# Copyright (C) 2025 Salvador de la Torre Gonzalez -# Co-author: Luciana Melina Luque -# -# Licensed under the Apache License, Version 2.0 (the "License"); -# you may not use this file except in compliance with the License. -# You may obtain a copy of the License at -# -# http://www.apache.org/licenses/LICENSE-2.0 -# -# Unless required by applicable law or agreed to in writing, software -# distributed under the License is distributed on an "AS IS" BASIS, -# WITHOUT WARRANTIES OR CONDITIONS OF ANY KIND, either express or implied. -# See the License for the specific language governing permissions and -# limitations under the License. -# ----------------------------------------------------------------------------- +""" +Copyright 2025 compiler-research.org, Salvador de la Torre Gonzalez, Luciana Melina Luque + +Licensed under the Apache License, Version 2.0 (the "License"); +you may not use this file except in compliance with the License. +You may obtain a copy of the License at + + http://www.apache.org/licenses/LICENSE-2.0 + SPDX-License-Identifier: Apache-2.0 + +Unless required by applicable law or agreed to in writing, software +distributed under the License is distributed on an "AS IS" BASIS, +WITHOUT WARRANTIES OR CONDITIONS OF ANY KIND, either express or implied. +See the License for the specific language governing permissions and +limitations under the License. + +This file contains a model developed under Google Summer of Code (GSoC) +for the compiler-research.org organization. +""" import pandas as pd import os diff --git a/draft_code_my_own_analysis/plot_type_of_cells.py b/draft_code_my_own_analysis/plot_type_of_cells.py index a80d41e..401fca3 100644 --- a/draft_code_my_own_analysis/plot_type_of_cells.py +++ b/draft_code_my_own_analysis/plot_type_of_cells.py @@ -1,19 +1,22 @@ -# ----------------------------------------------------------------------------- -# Copyright (C) 2025 Salvador de la Torre Gonzalez -# Co-author: Luciana Melina Luque -# -# Licensed under the Apache License, Version 2.0 (the "License"); -# you may not use this file except in compliance with the License. -# You may obtain a copy of the License at -# -# http://www.apache.org/licenses/LICENSE-2.0 -# -# Unless required by applicable law or agreed to in writing, software -# distributed under the License is distributed on an "AS IS" BASIS, -# WITHOUT WARRANTIES OR CONDITIONS OF ANY KIND, either express or implied. -# See the License for the specific language governing permissions and -# limitations under the License. -# ----------------------------------------------------------------------------- +""" +Copyright 2025 compiler-research.org, Salvador de la Torre Gonzalez, Luciana Melina Luque + +Licensed under the Apache License, Version 2.0 (the "License"); +you may not use this file except in compliance with the License. +You may obtain a copy of the License at + + http://www.apache.org/licenses/LICENSE-2.0 + SPDX-License-Identifier: Apache-2.0 + +Unless required by applicable law or agreed to in writing, software +distributed under the License is distributed on an "AS IS" BASIS, +WITHOUT WARRANTIES OR CONDITIONS OF ANY KIND, either express or implied. +See the License for the specific language governing permissions and +limitations under the License. + +This file contains a model developed under Google Summer of Code (GSoC) +for the compiler-research.org organization. +""" import pandas as pd import matplotlib.pyplot as plt @@ -74,10 +77,10 @@ plt.figure(figsize=(10, 6)) # Our model data (solid lines) - now as percentages -plt.plot(df['total_days'], df['type1_percentage'], color='darkred', label='Type 1 (Model in BioDynaMo)', linewidth=2) -plt.plot(df['total_days'], df['type2_percentage'], color='red', label='Type 2 (Model in BioDynaMo)', linewidth=2) -plt.plot(df['total_days'], df['type3_percentage'], color='darkorange', label='Type 3 (Model in BioDynaMo)', linewidth=2) -plt.plot(df['total_days'], df['type4_percentage'], color='gold', label='Type 4 (Model in BioDynaMo)', linewidth=2) +plt.plot(df['total_days'], df['type1_percentage'], color='darkred', label='Type 1 (CARTopiaX)', linewidth=2) +plt.plot(df['total_days'], df['type2_percentage'], color='red', label='Type 2 (CARTopiaX)', linewidth=2) +plt.plot(df['total_days'], df['type3_percentage'], color='darkorange', label='Type 3 (CARTopiaX)', linewidth=2) +plt.plot(df['total_days'], df['type4_percentage'], color='gold', label='Type 4 (CARTopiaX)', linewidth=2) # Nature Paper data (dashed lines) plt.plot(time_days, quantities_type1, color='darkred', linestyle='--', label='Type 1 (Model from Nature paper)', linewidth=2) diff --git a/draft_code_my_own_analysis/process_csv_files.py b/draft_code_my_own_analysis/process_csv_files.py index 8b0771f..b373357 100644 --- a/draft_code_my_own_analysis/process_csv_files.py +++ b/draft_code_my_own_analysis/process_csv_files.py @@ -1,19 +1,22 @@ -# ----------------------------------------------------------------------------- -# Copyright (C) 2025 Salvador de la Torre Gonzalez -# Co-author: Luciana Melina Luque -# -# Licensed under the Apache License, Version 2.0 (the "License"); -# you may not use this file except in compliance with the License. -# You may obtain a copy of the License at -# -# http://www.apache.org/licenses/LICENSE-2.0 -# -# Unless required by applicable law or agreed to in writing, software -# distributed under the License is distributed on an "AS IS" BASIS, -# WITHOUT WARRANTIES OR CONDITIONS OF ANY KIND, either express or implied. -# See the License for the specific language governing permissions and -# limitations under the License. -# ----------------------------------------------------------------------------- +""" +Copyright 2025 compiler-research.org, Salvador de la Torre Gonzalez, Luciana Melina Luque + +Licensed under the Apache License, Version 2.0 (the "License"); +you may not use this file except in compliance with the License. +You may obtain a copy of the License at + + http://www.apache.org/licenses/LICENSE-2.0 + SPDX-License-Identifier: Apache-2.0 + +Unless required by applicable law or agreed to in writing, software +distributed under the License is distributed on an "AS IS" BASIS, +WITHOUT WARRANTIES OR CONDITIONS OF ANY KIND, either express or implied. +See the License for the specific language governing permissions and +limitations under the License. + +This file contains a model developed under Google Summer of Code (GSoC) +for the compiler-research.org organization. +""" import pandas as pd import os diff --git a/draft_code_my_own_analysis/read_csv_to_compare_levels.py b/draft_code_my_own_analysis/read_csv_to_compare_levels.py index c91234a..63412cf 100644 --- a/draft_code_my_own_analysis/read_csv_to_compare_levels.py +++ b/draft_code_my_own_analysis/read_csv_to_compare_levels.py @@ -1,19 +1,22 @@ -# ----------------------------------------------------------------------------- -# Copyright (C) 2025 Salvador de la Torre Gonzalez -# Co-author: Luciana Melina Luque -# -# Licensed under the Apache License, Version 2.0 (the "License"); -# you may not use this file except in compliance with the License. -# You may obtain a copy of the License at -# -# http://www.apache.org/licenses/LICENSE-2.0 -# -# Unless required by applicable law or agreed to in writing, software -# distributed under the License is distributed on an "AS IS" BASIS, -# WITHOUT WARRANTIES OR CONDITIONS OF ANY KIND, either express or implied. -# See the License for the specific language governing permissions and -# limitations under the License. -# ----------------------------------------------------------------------------- +""" +Copyright 2025 compiler-research.org, Salvador de la Torre Gonzalez, Luciana Melina Luque + +Licensed under the Apache License, Version 2.0 (the "License"); +you may not use this file except in compliance with the License. +You may obtain a copy of the License at + + http://www.apache.org/licenses/LICENSE-2.0 + SPDX-License-Identifier: Apache-2.0 + +Unless required by applicable law or agreed to in writing, software +distributed under the License is distributed on an "AS IS" BASIS, +WITHOUT WARRANTIES OR CONDITIONS OF ANY KIND, either express or implied. +See the License for the specific language governing permissions and +limitations under the License. + +This file contains a model developed under Google Summer of Code (GSoC) +for the compiler-research.org organization. +""" import pandas as pd import sys @@ -29,32 +32,32 @@ for i in range(num_files): # Read data from new CSV format with _processed suffix - df_mine = pd.read_csv('processed/simulation_data_mine'+str(i)+'_processed.csv') + df_cartopiax = pd.read_csv('processed/simulation_data_CARTopiaX'+str(i)+'_processed.csv') df_paper = pd.read_csv('processed/simulation_data'+str(i)+'_processed.csv') - # Extract values for "Mine" data - min_mine = { - 'oxygen_level': df_mine['min_oxygen_level'].iloc[0], - 'oncoproteine_level': df_mine['min_oncoproteine_level'].iloc[0], - 'base_transition_rate': df_mine['min_base_transition_rate'].iloc[0], - 'final_rate_transition': df_mine['min_final_rate_transition'].iloc[0], - 'probability_necrosis': df_mine['min_probability_necrosis'].iloc[0] + # Extract values for CARTopiaX data + min_cartopiax = { + 'oxygen_level': df_cartopiax['min_oxygen_level'].iloc[0], + 'oncoproteine_level': df_cartopiax['min_oncoproteine_level'].iloc[0], + 'base_transition_rate': df_cartopiax['min_base_transition_rate'].iloc[0], + 'final_rate_transition': df_cartopiax['min_final_rate_transition'].iloc[0], + 'probability_necrosis': df_cartopiax['min_probability_necrosis'].iloc[0] } - mean_mine = { - 'oxygen_level': df_mine['avg_oxygen_level'].iloc[0], - 'oncoproteine_level': df_mine['avg_oncoproteine_level'].iloc[0], - 'base_transition_rate': df_mine['avg_base_transition_rate'].iloc[0], - 'final_rate_transition': df_mine['avg_final_rate_transition'].iloc[0], - 'probability_necrosis': df_mine['avg_probability_necrosis'].iloc[0] + mean_cartopiax = { + 'oxygen_level': df_cartopiax['avg_oxygen_level'].iloc[0], + 'oncoproteine_level': df_cartopiax['avg_oncoproteine_level'].iloc[0], + 'base_transition_rate': df_cartopiax['avg_base_transition_rate'].iloc[0], + 'final_rate_transition': df_cartopiax['avg_final_rate_transition'].iloc[0], + 'probability_necrosis': df_cartopiax['avg_probability_necrosis'].iloc[0] } - max_mine = { - 'oxygen_level': df_mine['max_oxygen_level'].iloc[0], - 'oncoproteine_level': df_mine['max_oncoproteine_level'].iloc[0], - 'base_transition_rate': df_mine['max_base_transition_rate'].iloc[0], - 'final_rate_transition': df_mine['max_final_rate_transition'].iloc[0], - 'probability_necrosis': df_mine['max_probability_necrosis'].iloc[0] + max_cartopiax = { + 'oxygen_level': df_cartopiax['max_oxygen_level'].iloc[0], + 'oncoproteine_level': df_cartopiax['max_oncoproteine_level'].iloc[0], + 'base_transition_rate': df_cartopiax['max_base_transition_rate'].iloc[0], + 'final_rate_transition': df_cartopiax['max_final_rate_transition'].iloc[0], + 'probability_necrosis': df_cartopiax['max_probability_necrosis'].iloc[0] } # Extract values for the their model's data @@ -84,13 +87,13 @@ # Print as table print(f"\nComparison for simulation {i}:") - print(f"{'Metric':<25} {'Mine Min':>12} {'Mine Avg':>12} {'Mine Max':>12} {'Paper Min':>12} {'Paper Avg':>12} {'Paper Max':>12}") + print(f"{'Metric':<25} {'CARTopiaX Min':>12} {'CARTopiaX Avg':>12} {'CARTopiaX Max':>12} {'Paper Min':>12} {'Paper Avg':>12} {'Paper Max':>12}") print("-" * 97) - print(f"{'Oxygen level':<25} {min_mine['oxygen_level']:>12.6f} {mean_mine['oxygen_level']:>12.6f} {max_mine['oxygen_level']:>12.6f} {min_paper['oxygen_level']:>12.6f} {mean_paper['oxygen_level']:>12.6f} {max_paper['oxygen_level']:>12.6f}") - print(f"{'Oncoprotein level':<25} {min_mine['oncoproteine_level']:>12.6f} {mean_mine['oncoproteine_level']:>12.6f} {max_mine['oncoproteine_level']:>12.6f} {min_paper['oncoprotein_level']:>12.6f} {mean_paper['oncoprotein_level']:>12.6f} {max_paper['oncoprotein_level']:>12.6f}") - print(f"{'Base transition rate':<25} {min_mine['base_transition_rate']:>12.6f} {mean_mine['base_transition_rate']:>12.6f} {max_mine['base_transition_rate']:>12.6f} {min_paper['base_transition_rate']:>12.6f} {mean_paper['base_transition_rate']:>12.6f} {max_paper['base_transition_rate']:>12.6f}") - print(f"{'Transition rate':<25} {min_mine['final_rate_transition']:>12.6f} {mean_mine['final_rate_transition']:>12.6f} {max_mine['final_rate_transition']:>12.6f} {min_paper['final_rate_transition']:>12.6f} {mean_paper['final_rate_transition']:>12.6f} {max_paper['final_rate_transition']:>12.6f}") - print(f"{'Necrosis probability':<25} {min_mine['probability_necrosis']:>12.6f} {mean_mine['probability_necrosis']:>12.6f} {max_mine['probability_necrosis']:>12.6f} {min_paper['probability_necrosis']:>12.6f} {mean_paper['probability_necrosis']:>12.6f} {max_paper['probability_necrosis']:>12.6f}") + print(f"{'Oxygen level':<25} {min_cartopiax['oxygen_level']:>12.6f} {mean_cartopiax['oxygen_level']:>12.6f} {max_cartopiax['oxygen_level']:>12.6f} {min_paper['oxygen_level']:>12.6f} {mean_paper['oxygen_level']:>12.6f} {max_paper['oxygen_level']:>12.6f}") + print(f"{'Oncoprotein level':<25} {min_cartopiax['oncoprotein_level']:>12.6f} {mean_cartopiax['oncoprotein_level']:>12.6f} {max_cartopiax['oncoprotein_level']:>12.6f} {min_paper['oncoprotein_level']:>12.6f} {mean_paper['oncoprotein_level']:>12.6f} {max_paper['oncoprotein_level']:>12.6f}") + print(f"{'Base transition rate':<25} {min_cartopiax['base_transition_rate']:>12.6f} {mean_cartopiax['base_transition_rate']:>12.6f} {max_cartopiax['base_transition_rate']:>12.6f} {min_paper['base_transition_rate']:>12.6f} {mean_paper['base_transition_rate']:>12.6f} {max_paper['base_transition_rate']:>12.6f}") + print(f"{'Transition rate':<25} {min_cartopiax['final_rate_transition']:>12.6f} {mean_cartopiax['final_rate_transition']:>12.6f} {max_cartopiax['final_rate_transition']:>12.6f} {min_paper['final_rate_transition']:>12.6f} {mean_paper['final_rate_transition']:>12.6f} {max_paper['final_rate_transition']:>12.6f}") + print(f"{'Necrosis probability':<25} {min_cartopiax['probability_necrosis']:>12.6f} {mean_cartopiax['probability_necrosis']:>12.6f} {max_cartopiax['probability_necrosis']:>12.6f} {min_paper['probability_necrosis']:>12.6f} {mean_paper['probability_necrosis']:>12.6f} {max_paper['probability_necrosis']:>12.6f}") # Restore original stdout if output was redirected to file if SAVE_TO_FILE: diff --git a/src/cart_cell.cc b/src/cart_cell.cc index 8c27ccd..9a7c018 100644 --- a/src/cart_cell.cc +++ b/src/cart_cell.cc @@ -1,19 +1,22 @@ -// ----------------------------------------------------------------------------- -// Copyright (C) 2025 Salvador de la Torre Gonzalez -// Co-author: Luciana Melina Luque -// -// Licensed under the Apache License, Version 2.0 (the "License"); -// you may not use this file except in compliance with the License. -// You may obtain a copy of the License at -// -// http://www.apache.org/licenses/LICENSE-2.0 -// -// Unless required by applicable law or agreed to in writing, software -// distributed under the License is distributed on an "AS IS" BASIS, -// WITHOUT WARRANTIES OR CONDITIONS OF ANY KIND, either express or implied. -// See the License for the specific language governing permissions and -// limitations under the License. -// ----------------------------------------------------------------------------- +/* + * Copyright 2025 compiler-research.org, Salvador de la Torre Gonzalez, Luciana Melina Luque + * + * Licensed under the Apache License, Version 2.0 (the "License"); + * you may not use this file except in compliance with the License. + * You may obtain a copy of the License at + * + * http://www.apache.org/licenses/LICENSE-2.0 + * SPDX-License-Identifier: Apache-2.0 + * + * Unless required by applicable law or agreed to in writing, software + * distributed under the License is distributed on an "AS IS" BASIS, + * WITHOUT WARRANTIES OR CONDITIONS OF ANY KIND, either express or implied. + * See the License for the specific language governing permissions and + * limitations under the License. + * + * This file contains a model developed under Google Summer of Code (GSoC) + * for the compiler-research.org organization. + */ #include "cart_cell.h" @@ -21,39 +24,51 @@ namespace bdm { CartCell::CartCell(const Real3& position) { SetPosition(position); - state_ = CartCellState::kAlive; // Default state for new cells - timer_state_ = 0; // Initial timer_state for apoptotic state + // Default state for new cells + state_ = CartCellState::kAlive; + // Initial timer_state for apoptotic state + timer_state_ = 0; //volumes - this->SetVolume(kDefaultVolumeNewCartCell); // Set default volume - this->SetFluidFraction(kDefaultFractionFluidCartCell); // Set default fluid fraction - this->SetNuclearVolume(kDefaultVolumeNucleusCartCell); // Set default nuclear volume - - - this->oxygen_dgrid_ = Simulation::GetActive()->GetResourceManager()->GetDiffusionGrid("oxygen"); // Pointer to oxygen diffusion grid - this->immunostimulatory_factor_dgrid_ = Simulation::GetActive()->GetResourceManager()->GetDiffusionGrid("immunostimulatory_factor"); // Pointer to immunostimulatory_factor diffusion grid + // Set default volume + SetVolume(kDefaultVolumeNewCartCell); + // Set default fluid fraction + SetFluidFraction(kDefaultFractionFluidCartCell); + // Set default nuclear volume + SetNuclearVolume(kDefaultVolumeNucleusCartCell); + + + // Pointer to oxygen diffusion grid + oxygen_dgrid_ = Simulation::GetActive()->GetResourceManager()->GetDiffusionGrid("oxygen"); + // Pointer to immunostimulatory_factor diffusion grid + immunostimulatory_factor_dgrid_ = Simulation::GetActive()->GetResourceManager()->GetDiffusionGrid("immunostimulatory_factor"); // Initially not attached to a tumor cell - this->attached_to_tumor_cell_ = false; - this->attached_cell_ = nullptr; // Initialize attached cell pointer to null + attached_to_tumor_cell_ = false; + // Initialize attached cell pointer to null + attached_cell_ = nullptr; - this->older_velocity_ = {0, 0, 0}; // Initialize the velocity of the cell in the previous step to zero + // Initialize the velocity of the cell in the previous step to zero + older_velocity_ = {0, 0, 0}; - this->SetCurrentLiveTime(kAverageMaximumTimeUntillApoptosisCart); + SetCurrentLiveTime(kAverageMaximumTimeUntillApoptosisCart); //Add Consumption and Secretion - this->SetOxygenConsumptionRate(kDefaultOxygenConsumption); // Set default oxygen consumption rate - this->ComputeConstantsConsumptionSecretion(); // Compute constants for all ConsumptionSecretion of Oxygen + // Set default oxygen consumption rate + SetOxygenConsumptionRate(kDefaultOxygenConsumption); + // Compute constants for all ConsumptionSecretion of Oxygen + ComputeConstantsConsumptionSecretion(); } -bool CartCell::DoesCellMove() { //Cart cells can move if they are alive and not attached to a tumor cell +// Cart cells can move if they are alive and not attached to a tumor cell +bool CartCell::DoesCellMove() { return (state_ == CartCellState::kAlive && !attached_to_tumor_cell_); } real_t CartCell::GetTargetTotalVolume() { - return this->GetTargetNucleusSolid() * (1 + GetTargetRelationCytoplasmNucleus()) / (1 - GetTargetFractionFluid()); + return GetTargetNucleusSolid() * (1 + GetTargetRelationCytoplasmNucleus()) / (1 - GetTargetFractionFluid()); } // This method explicitly solves the system of exponential relaxation differential equation using a discrete @@ -61,27 +76,31 @@ real_t CartCell::GetTargetTotalVolume() { // volume over time whe the cell is apoptotic. The relaxations rate controls the speed of convergence void CartCell::ChangeVolumeExponentialRelaxationEquation(real_t relaxation_rate_cytoplasm, real_t relaxation_rate_nucleus, real_t relaxation_rate_fluid) { // Exponential relaxation towards the target volume - real_t current_total_volume = this->GetVolume(); - real_t fluid_fraction= this->GetFluidFraction(); - real_t nuclear_volume = this->GetNuclearVolume(); + real_t current_total_volume = GetVolume(); + real_t fluid_fraction= GetFluidFraction(); + real_t nuclear_volume = GetNuclearVolume(); real_t current_nuclear_solid = nuclear_volume * (1 - fluid_fraction); real_t current_cytoplasm_solid = (current_total_volume - nuclear_volume) * (1-fluid_fraction); real_t current_fluid = fluid_fraction * current_total_volume; - real_t new_fluid = current_fluid + kDtCycle* relaxation_rate_fluid * (this->GetTargetFractionFluid() * current_total_volume - current_fluid); // Update fluid volume - if (new_fluid < 0.0) { new_fluid = 0.0; }// Clamp to zero to prevent negative volumes + // Update fluid volume + real_t new_fluid = current_fluid + kDtCycle* relaxation_rate_fluid * (GetTargetFractionFluid() * current_total_volume - current_fluid); + // Clamp to zero to prevent negative volumes + if (new_fluid < 0.0) { new_fluid = 0.0; } real_t nuclear_fluid = new_fluid* ( nuclear_volume/ current_total_volume); // real_t cytoplasm_fluid = new_fluid - nuclear_fluid; - real_t nuclear_solid = current_nuclear_solid + kDtCycle * relaxation_rate_nucleus * (this->GetTargetNucleusSolid() - current_nuclear_solid); - if (nuclear_solid < 0.0) { nuclear_solid = 0.0; } // Clamp to zero to prevent negative volumes + real_t nuclear_solid = current_nuclear_solid + kDtCycle * relaxation_rate_nucleus * (GetTargetNucleusSolid() - current_nuclear_solid); + // Clamp to zero to prevent negative volumes + if (nuclear_solid < 0.0) { nuclear_solid = 0.0; } - real_t target_cytoplasm_solid = this->GetTargetRelationCytoplasmNucleus() * this->GetTargetNucleusSolid(); + real_t target_cytoplasm_solid = GetTargetRelationCytoplasmNucleus() * GetTargetNucleusSolid(); real_t cytoplasm_solid = current_cytoplasm_solid + kDtCycle * relaxation_rate_cytoplasm * (target_cytoplasm_solid - current_cytoplasm_solid); - if (cytoplasm_solid < 0.0) { cytoplasm_solid = 0.0; } // Clamp to zero to prevent negative volumes + // Clamp to zero to prevent negative volumes + if (cytoplasm_solid < 0.0) { cytoplasm_solid = 0.0; } real_t new_total_solid= nuclear_solid + cytoplasm_solid; @@ -91,40 +110,29 @@ void CartCell::ChangeVolumeExponentialRelaxationEquation(real_t relaxation_rate_ real_t new_volume = new_total_solid + new_fluid; - real_t new_fraction_fluid = new_fluid / (1e-16 + new_volume); // Avoid division by zero + // Avoid division by zero + real_t new_fraction_fluid = new_fluid / (1e-16 + new_volume); // Update the cell's properties - if (new_volume!= current_total_volume){//if the volume has changed - this->SetVolume(new_volume); - this->ComputeConstantsConsumptionSecretion(); // Update constants for all ConsumptionSecretion of Oxygen and Immunostimulatory Factors + // if the volume has changed + if (new_volume!= current_total_volume){ + SetVolume(new_volume); + // Update constants for all ConsumptionSecretion of Oxygen and Immunostimulatory Factors + ComputeConstantsConsumptionSecretion(); } - this->SetFluidFraction(new_fraction_fluid); - this->SetNuclearVolume(total_nuclear); + SetFluidFraction(new_fraction_fluid); + SetNuclearVolume(total_nuclear); } //compute Displacement Real3 CartCell::CalculateDisplacement(const InteractionForce* force, real_t squared_radius, real_t dt) { - // std::cout << "Calculating displacement..." << std::endl;//Debug - - // const auto& tf = GetTractorForce(); - - // // the 3 types of movement that can occur - // // bool biological_translation = false; - // bool physical_translation = false; - // // bool physical_rotation = false; - // real_t h = dt; Real3 movement_at_next_step{0, 0, 0}; - squared_radius=kSquaredMaxDistanceNeighborsForce;//this should be chaged in a future version of BioDynaMo in order to have a cleaner code instead of hardcoding it here - - // // BIOLOGY : - // // 0) Start with tractor force : What the biology defined as active - // // movement------------ - // movement_at_next_step += tf * h;//this is actually 0 for cart cells + // this should be chaged in a future version of BioDynaMo in order to have a cleaner code instead of hardcoding it here + squared_radius=kSquaredMaxDistanceNeighborsForce; - // PHYSICS // the physics force to move the point mass Real3 translation_velocity_on_point_mass{0, 0, 0}; @@ -185,7 +193,7 @@ Real3 CartCell::CalculateDisplacement(const InteractionForce* force, // movement_at_next_step[1] * movement_at_next_step[1] + // movement_at_next_step[2] * movement_at_next_step[2]; // modulus_total_displacement = std::sqrt(modulus_total_displacement); - // Real3 position = this->GetPosition(); + // Real3 position = GetPosition(); // // Write data to CSV file // file // << total_minutes << "," @@ -201,16 +209,19 @@ Real3 CartCell::CalculateDisplacement(const InteractionForce* force, older_velocity_ = translation_velocity_on_point_mass; - return movement_at_next_step;//Displacement + // Displacement + return movement_at_next_step; } //Compute new oxygen or immunostimulatory factor concentration after consumption/ secretion real_t CartCell::ConsumeSecreteSubstance(int substance_id, real_t old_concentration) { real_t res; if (substance_id == oxygen_dgrid_->GetContinuumId()) { - res= (old_concentration + constant1_oxygen_) / constant2_oxygen_;// consuming oxygen + // consuming oxygen + res= (old_concentration + constant1_oxygen_) / constant2_oxygen_; } else if (substance_id == immunostimulatory_factor_dgrid_->GetContinuumId()) { - res= old_concentration;//This point should never be reached + // This point should never be reached + res= old_concentration; } else { throw std::invalid_argument("Unknown substance id: " + std::to_string(substance_id)); } @@ -229,12 +240,13 @@ void CartCell::ComputeConstantsConsumptionSecretion() { // V_k = volume of the cell k // V_voxel = volume of the voxel containing the cell // dt = simulation time step - real_t volume = this->GetVolume(); + real_t volume = GetVolume(); //compute the constants for the differential equation explicit solution: for oxygen and immunostimulatory factor //dt*(cell_volume/voxel_volume)*quantity_secretion*substance_saturation = dt · (V_k / V_voxel) · S_k · ρ*_k) constant1_oxygen_ = 0.; //1 + dt*(cell_volume/voxel_volume)*(quantity_secretion + quantity_consumption ) = [1 + dt · (V_k / V_voxel) · (S_k + U_k)] - constant2_oxygen_ = 1 + kDtSubstances * (volume/kVoxelVolume) * (oxygen_consumption_rate_);// Scale by the volume of the cell in the Voxel and time step + // Scale by the volume of the cell in the Voxel and time step + constant2_oxygen_ = 1 + kDtSubstances * (volume/kVoxelVolume) * (oxygen_consumption_rate_); } /// Main behavior executed at each simulation step @@ -267,7 +279,8 @@ void StateControlCart::Run(Agent* agent) { cell->SetAttachedToTumorCell(false); } } else{ - cell->SetCurrentLiveTime((cell->GetCurrentLiveTime() - (kDtCycle*kDtCycle)));//decrease current life time + // decrease current life time + cell->SetCurrentLiveTime((cell->GetCurrentLiveTime() - (kDtCycle*kDtCycle))); } break; } diff --git a/src/cart_cell.h b/src/cart_cell.h index a4c0b00..44074a1 100644 --- a/src/cart_cell.h +++ b/src/cart_cell.h @@ -1,19 +1,22 @@ -// ----------------------------------------------------------------------------- -// Copyright (C) 2025 Salvador de la Torre Gonzalez -// Co-author: Luciana Melina Luque -// -// Licensed under the Apache License, Version 2.0 (the "License"); -// you may not use this file except in compliance with the License. -// You may obtain a copy of the License at -// -// http://www.apache.org/licenses/LICENSE-2.0 -// -// Unless required by applicable law or agreed to in writing, software -// distributed under the License is distributed on an "AS IS" BASIS, -// WITHOUT WARRANTIES OR CONDITIONS OF ANY KIND, either express or implied. -// See the License for the specific language governing permissions and -// limitations under the License. -// ----------------------------------------------------------------------------- +/* + * Copyright 2025 compiler-research.org, Salvador de la Torre Gonzalez, Luciana Melina Luque + * + * Licensed under the Apache License, Version 2.0 (the "License"); + * you may not use this file except in compliance with the License. + * You may obtain a copy of the License at + * + * http://www.apache.org/licenses/LICENSE-2.0 + * SPDX-License-Identifier: Apache-2.0 + * + * Unless required by applicable law or agreed to in writing, software + * distributed under the License is distributed on an "AS IS" BASIS, + * WITHOUT WARRANTIES OR CONDITIONS OF ANY KIND, either express or implied. + * See the License for the specific language governing permissions and + * limitations under the License. + * + * This file contains a model developed under Google Summer of Code (GSoC) + * for the compiler-research.org organization. + */ #ifndef CART_CELL_H_ #define CART_CELL_H_ @@ -28,127 +31,382 @@ namespace bdm { -// ───────────────────────────── -// CartCellState Enum Definition -// ───────────────────────────── +/** + * @brief Enumeration defining the possible states of a CAR-T cell + * + * This enum class represents the different states that a CAR-T cell can be in + * during its lifecycle in the simulation. + */ enum class CartCellState : int { - //living cell + /** @brief Living cell state - the cell is alive and functioning normally */ kAlive=0, - // Apoptotic schedule of a apoptotic cell: controled death - kApoptotic=1 // Apoptotic phase (the cell is undergoing programmed cell death characterized by cell shrinkage) + /** @brief Apoptotic phase - the cell is undergoing programmed cell death + * characterized by cell shrinkage and controlled death + */ + kApoptotic=1 }; -// ───────────────────────────── -// CartCell Class Definition -// ───────────────────────────── +/** + * @brief CAR-T cell class implementation + * + * This class represents a CAR-T (Chimeric Antigen Receptor T-cell) in the simulation. + * It inherits from the base Cell class and includes specific behaviors and properties + * related to CAR-T cell biology, including states, volume dynamics, and interactions + * with tumor cells. + */ class CartCell : public Cell { BDM_AGENT_HEADER(CartCell, Cell, 1); public: + /** @brief Default constructor */ CartCell() {} + + /** @brief Constructor with position parameter + * @param position Initial 3D position of the cell + */ explicit CartCell(const Real3& position); + + /** @brief Virtual destructor */ virtual ~CartCell() {} - //Getters and Setters + /** @name State Management + * @brief Methods for managing cell state + * @{ + */ + + /** @brief Set the current state of the CAR-T cell + * @param state The new state to set + */ void SetState(CartCellState state) { state_ = state; } + + /** @brief Get the current state of the CAR-T cell + * @return The current cell state + */ CartCellState GetState() const { return state_; } + /** @brief Set the timer for tracking time in current state + * @param timer_state Timer value in minutes + */ void SetTimerState(int timer_state) { timer_state_ = timer_state; } + + /** @brief Get the timer for tracking time in current state + * @return Timer value in minutes + */ int GetTimerState() const { return timer_state_; } + + /** @} */ // end of State Management group + /** @name Volume and Physical Properties + * @brief Methods for managing cell volume and physical characteristics + * @{ + */ + + /** @brief Set the fluid fraction of the cell + * @param fluid_fraction The fluid fraction value + */ void SetFluidFraction(real_t fluid_fraction) { fluid_fraction_ = fluid_fraction; } + + /** @brief Get the fluid fraction of the cell + * @return The current fluid fraction + */ real_t GetFluidFraction() const { return fluid_fraction_; } + /** @brief Set the nuclear volume + * @param nuclear_volume The nuclear volume value + */ void SetNuclearVolume(real_t nuclear_volume) { nuclear_volume_ = nuclear_volume; } + + /** @brief Get the nuclear volume + * @return The current nuclear volume + */ real_t GetNuclearVolume() const { return nuclear_volume_; } + /** @brief Set the target cytoplasm solid volume + * @param target_cytoplasm_solid The target cytoplasm solid volume + */ void SetTargetCytoplasmSolid(real_t target_cytoplasm_solid) { target_cytoplasm_solid_ = target_cytoplasm_solid; } + + /** @brief Get the target cytoplasm solid volume + * @return The target cytoplasm solid volume + */ real_t GetTargetCytoplasmSolid() const { return target_cytoplasm_solid_; } + /** @brief Set the target nucleus solid volume + * @param target_nucleus_solid The target nucleus solid volume + */ void SetTargetNucleusSolid(real_t target_nucleus_solid) { target_nucleus_solid_ = target_nucleus_solid; } + + /** @brief Get the target nucleus solid volume + * @return The target nucleus solid volume + */ real_t GetTargetNucleusSolid() const { return target_nucleus_solid_; } + /** @brief Set the target fraction of fluid + * @param target_fraction_fluid The target fluid fraction + */ void SetTargetFractionFluid(real_t target_fraction_fluid) { target_fraction_fluid_ = target_fraction_fluid; } + + /** @brief Get the target fraction of fluid + * @return The target fluid fraction + */ real_t GetTargetFractionFluid() const { return target_fraction_fluid_; } + /** @brief Set the target relation between cytoplasm and nucleus + * @param target_relation_cytoplasm_nucleus The target relation value + */ void SetTargetRelationCytoplasmNucleus(real_t target_relation_cytoplasm_nucleus) { target_relation_cytoplasm_nucleus_ = target_relation_cytoplasm_nucleus; } + + /** @brief Get the target relation between cytoplasm and nucleus + * @return The target relation value + */ real_t GetTargetRelationCytoplasmNucleus() const { return target_relation_cytoplasm_nucleus_; } + /** @} */ // end of Volume and Physical Properties group + + /** @name Tumor Cell Attachment + * @brief Methods for managing attachment to tumor cells + * @{ + */ + + /** @brief Set whether the cell is attached to a tumor cell + * @param attached True if attached, false otherwise + */ void SetAttachedToTumorCell(bool attached) { attached_to_tumor_cell_ = attached; } + + /** @brief Check if the cell is attached to a tumor cell + * @return True if attached to a tumor cell, false otherwise + */ bool IsAttachedToTumorCell() const { return attached_to_tumor_cell_; } + /** @brief Get the attached tumor cell + * @return Pointer to the attached tumor cell, or nullptr if not attached + */ + TumorCell* GetAttachedCell() const { return attached_cell_; } + + /** @brief Set the attached tumor cell + * @param cell Pointer to the tumor cell to attach + */ + void SetAttachedCell(TumorCell* cell) { attached_cell_ = cell; } + + /** @} */ // end of Tumor Cell Attachment group + + /** @name Movement and Velocity + * @brief Methods for managing cell movement and velocity + * @{ + */ + + /** @brief Get the velocity from the previous time step + * @return The velocity vector from the previous step + */ Real3 GetOlderVelocity() const { return older_velocity_; } + + /** @brief Set the velocity from the previous time step + * @param velocity The velocity vector to set + */ void SetOlderVelocity(const Real3& velocity) { older_velocity_ = velocity; } + /** @brief Check whether the cell moves by its own + * @return True if the cell can move independently, false otherwise + */ + bool DoesCellMove(); + + /** @} */ // end of Movement and Velocity group + + /** @name Biochemical Properties + * @brief Methods for managing oxygen consumption and cell lifetime + * @{ + */ + + /** @brief Get the oxygen consumption rate + * @return The current oxygen consumption rate + */ real_t GetOxygenConsumptionRate() const { return oxygen_consumption_rate_; } + + /** @brief Set the oxygen consumption rate + * @param rate The oxygen consumption rate to set + */ void SetOxygenConsumptionRate(real_t rate) { oxygen_consumption_rate_ = rate; } + /** @brief Get the current live time + * @return The current time until apoptosis + */ real_t GetCurrentLiveTime() const { return current_live_time_; } + + /** @brief Set the current live time + * @param time The current live time to set + */ void SetCurrentLiveTime(real_t time) { current_live_time_ = time; } - TumorCell* GetAttachedCell() const { return attached_cell_; } - void SetAttachedCell(TumorCell* cell) { attached_cell_ = cell; } + /** @} */ // end of Biochemical Properties group - //returns whether the cell moves by its own - bool DoesCellMove(); + /** @name Volume Calculations + * @brief Methods for volume calculations + * @{ + */ + /** @brief Calculate the target total volume of the cell + * @return The target total volume + */ real_t GetTargetTotalVolume(); - /// Returns the diffusion grid for oxygen + /** @} */ // end of Volume Calculations group + + /** @name Diffusion Grids + * @brief Methods for accessing diffusion grids + * @{ + */ + + /** @brief Get the diffusion grid for oxygen + * @return Pointer to the oxygen diffusion grid + */ DiffusionGrid* GetOxygenDiffusionGrid() const { return oxygen_dgrid_; } - /// Returns the diffusion grid for immunostimulatory factors + + /** @brief Get the diffusion grid for immunostimulatory factors + * @return Pointer to the immunostimulatory factor diffusion grid + */ DiffusionGrid* GetImmunostimulatoryFactorDiffusionGrid() const { return immunostimulatory_factor_dgrid_; } - // This method explicitly solves the system of exponential relaxation differential equation using a discrete - // update step. It is used to grow or shrink the volume (and proportions) smoothly toward a desired target - // volume over time. The relaxations rate controls the speed of convergence and dt=1 (the time_step). + /** @} */ // end of Diffusion Grids group + + /** @name Core Simulation Methods + * @brief Core methods for cell simulation and behavior + * @{ + */ + + /** @brief Change volume using exponential relaxation equation + * + * This method explicitly solves the system of exponential relaxation differential + * equations using a discrete update step. It is used to grow or shrink the volume + * (and proportions) smoothly toward a desired target volume over time. The relaxation + * rate controls the speed of convergence and dt=1 (the time_step). + * + * @param relaxation_rate_cytoplasm Relaxation rate for cytoplasm volume changes + * @param relaxation_rate_nucleus Relaxation rate for nucleus volume changes + * @param relaxation_rate_fluid Relaxation rate for fluid volume changes + */ void ChangeVolumeExponentialRelaxationEquation(real_t relaxation_rate_cytoplasm, real_t relaxation_rate_nucleus, real_t relaxation_rate_fluid); - //compute Displacement + /** @brief Calculate displacement of the cell + * + * Computes the displacement of the cell based on interaction forces. + * + * @param force Pointer to the interaction force object + * @param squared_radius The squared radius of the cell + * @param dt The time step for the simulation + * @return The calculated displacement vector + */ Real3 CalculateDisplacement(const InteractionForce* force, real_t squared_radius, real_t dt) override; - //Compute new oxygen or immunostimulatory factor concentration after consumption/ secretion + /** @brief Consume or secrete substances + * + * Computes new oxygen or immunostimulatory factor concentration after + * consumption or secretion by the cell. + * + * @param substance_id The ID of the substance (oxygen or immunostimulatory factor) + * @param old_concentration The previous concentration of the substance + * @return The new concentration after consumption/secretion + */ real_t ConsumeSecreteSubstance(int substance_id, real_t old_concentration); - //constants after cell's change of volume or quantities + /** @brief Compute constants for consumption and secretion + * + * Updates constants after the cell's change of volume or quantities. + * These constants are used in the consumption/secretion differential equations. + */ void ComputeConstantsConsumptionSecretion(); - //Attributes + /** @} */ // end of Core Simulation Methods group + + /** @name Private Member Variables + * @brief Private attributes of the CAR-T cell + * @{ + */ private: - CartCellState state_; // Current state of the cart cell - int timer_state_;//timer to track time in the current state (in minutes): used for apoptotic state - DiffusionGrid* oxygen_dgrid_; // Pointer to the oxygen diffusion grid - DiffusionGrid* immunostimulatory_factor_dgrid_; // Pointer to the immunostimulatory_factor diffusion grid - bool attached_to_tumor_cell_; // Flag to indicate if the cell is attached to a tumor cell - real_t current_live_time_; // Current time untill apoptosis - //volumes + /** @brief Current state of the CAR-T cell */ + CartCellState state_; + + /** @brief Timer to track time in the current state (in minutes) + * Used for apoptotic state timing + */ + int timer_state_; + + /** @brief Pointer to the oxygen diffusion grid */ + DiffusionGrid* oxygen_dgrid_; + + /** @brief Pointer to the immunostimulatory factor diffusion grid */ + DiffusionGrid* immunostimulatory_factor_dgrid_; + + /** @brief Flag indicating if the cell is attached to a tumor cell */ + bool attached_to_tumor_cell_; + + /** @brief Current time until apoptosis */ + real_t current_live_time_; + + /** @brief Fluid fraction of the cell volume */ real_t fluid_fraction_; - real_t nuclear_volume_; // Volume of the nucleus - // Target volume for shrinking apoptotic cells. The change of volume follows a exponential relaxation equation with this target volume - real_t target_cytoplasm_solid_; + + /** @brief Volume of the nucleus */ + real_t nuclear_volume_; + + /** @brief Target cytoplasm solid volume for exponential relaxation + * Used during volume changes following exponential relaxation equation + */ + real_t target_cytoplasm_solid_; + + /** @brief Target nucleus solid volume for exponential relaxation */ real_t target_nucleus_solid_; + + /** @brief Target fluid fraction for exponential relaxation */ real_t target_fraction_fluid_; + + /** @brief Target relation between cytoplasm and nucleus volumes */ real_t target_relation_cytoplasm_nucleus_; - Real3 older_velocity_; // Velocity of the cell in the previous step + + /** @brief Velocity of the cell in the previous time step */ + Real3 older_velocity_; + + /** @brief Rate of oxygen consumption by the cell */ real_t oxygen_consumption_rate_; + + /** @brief Rate of immunostimulatory factor secretion by the cell */ real_t immunostimulatory_factor_secretion_rate_; - //constants for ConsumptionSecretion differential equation solution + + /** @brief Constant 1 for oxygen consumption/secretion differential equation solution */ real_t constant1_oxygen_; + + /** @brief Constant 2 for oxygen consumption/secretion differential equation solution */ real_t constant2_oxygen_; - TumorCell* attached_cell_; // Pointer to the attached tumor cell + + /** @brief Pointer to the attached tumor cell */ + TumorCell* attached_cell_; + + /** @} */ // end of Private Member Variables group }; -// ───────────────────────────── -// Behavior: StateControlCart -// ───────────────────────────── +/** + * @brief Behavior class for controlling CAR-T cell state transitions + * + * This behavior handles the state control logic for CAR-T cells, managing + * transitions between different cell states such as alive and apoptotic phases. + * It inherits from the base Behavior class and implements the Run method to + * execute the state control logic during simulation steps. + */ struct StateControlCart : public Behavior { BDM_BEHAVIOR_HEADER(StateControlCart, Behavior, 1); + /** @brief Default constructor + * Calls AlwaysCopyToNew() to ensure the behavior is copied to new cells + */ StateControlCart() { AlwaysCopyToNew(); } + + /** @brief Virtual destructor */ virtual ~StateControlCart() {} + /** @brief Execute the state control behavior + * @param agent Pointer to the agent (cell) on which to apply the behavior + */ void Run(Agent* agent) override; }; diff --git a/src/cart_cell_draft.h b/src/cart_cell_draft.h deleted file mode 100644 index 6d151f9..0000000 --- a/src/cart_cell_draft.h +++ /dev/null @@ -1,422 +0,0 @@ -// ----------------------------------------------------------------------------- -// Copyright (C) 2025 Salvador de la Torre Gonzalez -// Co-author: Luciana Melina Luque -// -// Licensed under the Apache License, Version 2.0 (the "License"); -// you may not use this file except in compliance with the License. -// You may obtain a copy of the License at -// -// http://www.apache.org/licenses/LICENSE-2.0 -// -// Unless required by applicable law or agreed to in writing, software -// distributed under the License is distributed on an "AS IS" BASIS, -// WITHOUT WARRANTIES OR CONDITIONS OF ANY KIND, either express or implied. -// See the License for the specific language governing permissions and -// limitations under the License. -// ----------------------------------------------------------------------------- - -// #ifndef CART_CELL_H_ -// #define CART_CELL_H_ - -// #include "biodynamo.h" -// #include "core/util/log.h" -// #include "core/util/root.h" -// #include "utils_aux.h" -// #include "hyperparams.h" -// #include "tumor_cell.h" - -// namespace bdm { - - -// enum class FasesKi67 : int {// Enum representing the different proliferation phases of the protein Ki67 expression in a cell -// kKi67Negative = 0, // Ki67 negative phase -// kKi67PositivePremitotic = 1, // Ki67 positive phase before mitosis -// kKi67PositivePostmitotic = 2, // Ki67 positive phase just after mitosis, returning to kNegative -// }; - - - -// // ───────────────────────────── -// // CartCellState Enum Definition -// // ───────────────────────────── -// /// Enum representing the different states of a tumor cell -// enum class CartCellState : int { -// kActivated = 0, -// kApoptotic = 1, -// kDead = 2 -// }; - - -// // ───────────────────────────── -// // CartCell Class Definition -// // ───────────────────────────── -// class CartCell : public Cell {//CHANGE: consumes 1 oxygen per minute //CHANGE: Induces apoptosis include and copy code form tumor_cell entry apoptosis -// BDM_AGENT_HEADER(CartCell, Cell, 1); -// public: -// CartCell() {} -// explicit CartCell(const real_t3& position) { -// // Initialize the cell with a given position -// SetPosition(position); -// state_ = CartCellState::kActivated; // Default state for new cells -// remaining_life_time_ = SamplePositiveGaussian(kAverageLifeTimeCartCell, kStandardDeviationLifeTimeCartCell); //random time following a gaussian distribution -// timer_last_division_=0; -// timer_kill_trial_=kTimeKillTrialCart; //new cells are ready to kill -// exhaustion_level_=0; -// suppression_level_=0; - - -// recognized_antigens_= SampleAntigenPattern(kRecognizedAntigensCart); // Sample a random antigen pattern from the predefined antigen patterns for CAR-T cells -// this->oxygen_dgrid_ = Simulation::GetActive()->GetResourceManager()->GetDiffusionGrid("oxygen"); // Pointer to oxygen diffusion grid -// this->SetDiameter(kDiameterCartCell); // Set default diameter -// this->SetMass(this->GetVolume() * kCartCellDensity); // Set initial mass -// } -// virtual ~CartCell() {} - -// /// Called when a new agent is created (e.g., after cell division) -// void Initialize(const NewAgentEvent& event) override { -// Base::Initialize(event); - -// if (auto* mother = dynamic_cast(event.existing_agent)) { -// if (event.GetUid() == CellDivisionEvent::kUid) { -// // Initialize a new CartCell as a daughter of the mother CartCell -// state_ = CartCellState::kActivated; // Default state for new cells -// remaining_life_time_ = SamplePositiveGaussian(kAverageLifeTimeCartCell, kStandardDeviationLifeTimeCartCell); //random time following a gaussian distribution -// timer_last_division_=0; -// timer_kill_trial_=mother->timer_kill_trial_; // Inherit the timer for kill trials from the mother cell -// exhaustion_level_=0; -// suppression_level_=0; -// recognized_antigens_= mother->recognized_antigens_;//recognizes the same antigens as the mother cell -// this->oxygen_dgrid_ = mother->oxygen_dgrid_; // Pointer to oxygen diffusion grid -// // this->nutrients_dgrid_ = mother->nutrients_dgrid_; // Pointer to nutrients diffusion grid -// this->SetDiameter(kDiameterCartCell); // Set default diameter for daughter cell (avoid numerical instabilities) -// this->SetMass(this->GetVolume() * kCartCellDensity); // Set initial mass -// mother->SetMass(mother->GetVolume()*kCartCellDensity); -// } -// } - -// } - -// void SetState(CartCellState state) { state_ = state; } -// CartCellState GetState() const { return state_; } - -// void SetExpresedAntigens(std::map recognized_antigens) { recognized_antigens_ = recognized_antigens; } -// std::map GetExpresedAntigens() const { return recognized_antigens_; } - -// void SetRecognizedAntigens(const std::map& recognized_antigens) { recognized_antigens_ = recognized_antigens; } -// std::map GetRecognizedAntigens() const { return recognized_antigens_; } - -// void SetOxygenDGrid(DiffusionGrid* oxygen_dgrid) { oxygen_dgrid_ = oxygen_dgrid; } -// DiffusionGrid* GetOxygenDGrid() const { return oxygen_dgrid_; } - - -// void SetRemainingLifeTime(int remaining_life_time) {remaining_life_time_ = remaining_life_time;} -// int GetRemainingLifeTime() const { return remaining_life_time_; } - -// void SetTimerLastDivision(int timer_last_division) { timer_last_division_ = timer_last_division; } -// int GetTimerLastDivision() const { return timer_last_division_; } - -// void SetTimerKillTrial(int timer_kill_trial) { timer_kill_trial_ = timer_kill_trial; } -// int GetTimerKillTrial() const { return timer_kill_trial_; } - -// void SetTimerState(int timer_state) { timer_state_ = timer_state; } -// int GetTimerState() const { return timer_state_; } - -// void SetExhaustionLevel(real_t exhaustion_level) { exhaustion_level_ = exhaustion_level; } -// real_t GetExhaustionLevel() const { return exhaustion_level_; } - -// void SetSuppressionLevel(real_t suppression_level) { suppression_level_ = suppression_level; } -// real_t GetSuppressionLevel() const { return suppression_level_; } - -// void SetTimerUnderSuppression(int timer_under_suppression) { timer_under_suppression_ = timer_under_suppression; } -// int GetTimerUnderSuppression() const { return timer_under_suppression_; } - - -// /// Returns the diffusion grid for oxygen -// DiffusionGrid* GetOxygenDiffusionGrid() const { return oxygen_dgrid_; } -// /// Returns the diffusion grid for nutrients -// // DiffusionGrid* GetNutrientsDiffusionGrid() const { return nutrients_dgrid_; } - - -// private: -// CartCellState state_; -// int remaining_life_time_;//remaining steps life time of the cell. FIrst used to turn the cell apoptotic, then to remove it from the simulation -// int timer_last_division_; // Timer since the last division -// int timer_kill_trial_; // Timer sice the last kill trial -// int timer_state_; // Timer for the current state (used for apoptosis and dead states) -// real_t exhaustion_level_; // CAR-T exhaustion level (Permanent damage) -// real_t suppression_level_; // CAR-T suppression level (Cyotokines temporal damage) -// int timer_under_suppression_; // Counter of steps under high suppression -// std::map recognized_antigens_; // Recognized antigens -// DiffusionGrid* oxygen_dgrid_; // Pointer to the oxygen diffusion grid -// // DiffusionGrid* nutrients_dgrid_; // Pointer to the nutrients diffusion grid -// //CHANGE add cytokines grids -// }; - -// // ───────────────────────────── -// // Behavior: StateControlGrowProliferate -// // ───────────────────────────── -// struct StateControlAndCartDivision : public Behavior { -// BDM_BEHAVIOR_HEADER(StateControlAndCartDivision, Behavior, 1); - -// StateControlAndCartDivision() { AlwaysCopyToNew(); } -// virtual ~StateControlAndCartDivision() {} - -// /// Main behavior executed at each simulation step -// void Run(Agent* agent) override { -// auto* sim = Simulation::GetActive(); -// auto* random = sim->GetRandom(); - -// if (auto* cell = dynamic_cast(agent)) { - -// // Nutrients and oxygen levels -// real_t3 current_position = cell->GetPosition(); -// auto* oxygen_dgrid = cell->GetOxygenDiffusionGrid(); // Pointer to the oxygen diffusion grid -// // auto* nutrients_dgrid = cell->GetNutrientsDiffusionGrid(); // Pointer to the nutrients diffusion grid -// real_t oxygen_level = oxygen_dgrid->GetValue(current_position); -// // real_t nutrients_level = nutrients_dgrid->GetValue(current_position); -// // Get the cytokines levels CHANGE - - -// //compute Suppression level -// real_t suppression_level =0.;// f(cytokines) //CHANGE -// //Increase suppression level based on oxygen and nutrients levels -// if (oxygen_level < kThresholdOxygenLevelSuppression) { suppression_level += 0.1;} -// // if (nutrients_level < kThresholdNutrientsLevelSuppression) { suppression_level += 0.1; } -// cell->SetSuppressionLevel(suppression_level); - -// //Exaustion level from suppression level -// if (suppression_level > kThresholdHighSuppression) { -// cell->SetTimerUnderSuppression(cell->GetTimerUnderSuppression() + 1); // Increment timer under suppression -// if (cell->GetTimerUnderSuppression() >= kThresholdStepsUnderHighSuppression) { // If under suppression for too long -// real_t previous_exhaustion_level = cell->GetExhaustionLevel(); -// real_t diff = suppression_level- kThresholdHighSuppression; // Difference from the threshold -// cell->SetExhaustionLevel(std::min(1.0, previous_exhaustion_level+ SamplePositiveGaussian(diff*diff,0.005))); // Increase exhaustion level based on suppression level -// } -// } else { -// cell->SetTimerUnderSuppression(0); // Reset timer under suppression -// } -// //CHANGE increase exhaustion level based on certain cytokines that increase it directly - -// switch (cell->GetState()) -// { -// case CartCellState::kActivated: // Cell is in nomral activated state -// cell->SetTimerLastDivision(cell->GetTimerLastDivision() + 1); // Increment timer_last_division -// if (cell->GetRemainingLifeTime() <= 0) { -// cell->SetState(CartCellState::kApoptotic); // Transition to apoptotic state -// cell->SetTimerState(0); // Reset timer_state -// } else { -// // Decrease remaining life time -// auto aux_exp=std::exp(3*cell->GetExhaustionLevel()); -// real_t decrement= SamplePositiveGaussian(aux_exp, 0.2*aux_exp); // Decrease life time based on exhaustion level -// cell->SetRemainingLifeTime(cell->GetRemainingLifeTime() - decrement); -// // Check if the cell can divide -// if (cell->GetTimerLastDivision() >= kTimeLastDivisionCartCell) { -// if (random->Uniform(0.0, 1.0) < kBaseProbabilityDivideCartCell) {//CHANGE: probability needs to depend on the nutrients and cytokines levels -// cell->SetTimerLastDivision(0); // Reset timer_last_division -// // Create a new daughter cell -// cell->SetDiameter(std::cbrt(2.0) *kDiameterCartCell); // adjust the diameter so that the volume of the two new cells is conserved is the same as before division -// cell->Divide(); // Perform cell division -// cell->SetDiameter(kDiameterCartCell); // Reset diameter to original value to avoid insteabilities -// } -// } -// } -// break; -// case CartCellState::kApoptotic: -// // Apoptosis induced cells die after a certain time -// cell->SetTimerState(cell->GetTimerState() + 1); // Increase timer_state to track duration -// if (cell->GetTimerState() >= kTimeApoptosisInducedCart ) { -// cell->SetState(CartCellState::kDead); -// cell->SetTimerState(0); // Reset timer_state -// } -// break; -// case CartCellState::kDead: -// cell->SetTimerState(cell->GetTimerState() + 1); // Increase timer_state to track duration -// if (cell->GetTimerState() >= kTimeDeadCart ) { -// //remove the cell from the simulation -// auto* ctxt = sim->GetExecutionContext(); -// ctxt->RemoveAgent(agent->GetUid()); -// } -// break; -// default: -// Log::Error("StateControlGrowProliferate::Run", "Unknown CartCellState"); -// break; -// } -// } else { -// Log::Error("StateControlGrowProliferate::Run", "SimObject is not a CartCell"); -// } -// } -// }; - -// struct CartMigration : public Behavior{ -// BDM_BEHAVIOR_HEADER(CartMigration, Behavior, 1); - -// CartMigration() { AlwaysCopyToNew(); } -// virtual ~CartMigration() {} - -// /// Main behavior executed at each simulation step -// void Run(Agent* agent) override { -// auto* sim = Simulation::GetActive(); -// auto* random = sim->GetRandom(); -// if (auto* cell = dynamic_cast(agent)) { - -// real_t3 current_position = cell->GetPosition(); - -// // auto* oxygen_dgrid = cell->GetOxygenDiffusionGrid(); //CHANGE: get cytokines grids -// real_t speed = kMaxSpeedCartCell; // Default speed - -// // Adjust speed based on suppression and exhaustion levels -// // CHANGE this equation -// speed = kMaxSpeedCartCell * (0.5*(1-cell->GetSuppressionLevel()) + 0.5*(1-cell->GetExhaustionLevel())); - - -// Real3 direction; -// switch (cell->GetState()) -// { -// case CartCellState::kActivated: -// //the speed should is reduced in hypoxic conditions because of the lack of oxygen in the equation used prevously -// // dcytokines->GetGradient(current_position, &direction); // returns normalized gradient towards the cytokines source CHANGE -// direction = {// Move randomly, CHANGE: this should be a gradient towards the cytokines source -// random->Uniform(-0.1, 0.1), -// random->Uniform(-0.1, 0.1), -// random->Uniform(-0.1, 0.1)};; -// break; -// case CartCellState::kApoptotic: -// // Apoptosis induced cells may not move or move less -// speed = speed * 0.2; // Further reduced speed for apoptosis induced cells -// direction = { -// random->Uniform(-0.1, 0.1), -// random->Uniform(-0.1, 0.1), -// random->Uniform(-0.1, 0.1)}; -// break; -// case CartCellState::kDead: -// // Dead cells do not move -// return; -// default: -// Log::Error("CartMigration::Run", "Unknown CartCellState"); -// return; -// } - -// // Update the cell's position -// cell->SetTractorForce(direction * speed); -// } -// } -// }; - -// // struct CartReleaseChemicals : public Behavior { -// // BDM_BEHAVIOR_HEADER(CartReleaseChemicals, Behavior, 1); - -// // CartReleaseChemicals() { AlwaysCopyToNew(); } -// // virtual ~CartReleaseChemicals() {} - -// // /// Main behavior executed at each simulation step -// // void Run(Agent* agent) override { -// // auto* sim = Simulation::GetActive(); -// // auto* random = sim->GetRandom(); -// // //nutrients= sim->GetEnvironment()->GetNutrients(); //CHANGE: Get the current nutrients level from the environment and effect the chemicals released -// // if (auto* cell = dynamic_cast(agent)) { - -// // switch (cell->GetState()) -// // { -// // case CartCellState::kProliferative: - -// // break; -// // case CartCellState::kGrowing: - -// // break; -// // case CartCellState::kHypoxic: - -// // break; -// // case CartCellState::kApoptosisInduced: - -// // break; -// // case CartCellState::kDead: -// // return; -// // default: -// // Log::Error("CartReleaseChemicals::Run", "Unknown CartCellState"); -// // return; -// // } -// // } -// // } -// // }; - -// class CartAttackBehavior : public Behavior { -// BDM_BEHAVIOR_HEADER(CartAttackBehavior, Behavior, 1); - -// public: -// CartAttackBehavior() { AlwaysCopyToNew(); } -// virtual ~CartAttackBehavior() {} - -// void Run(Agent* agent) override { -// if (auto* cart = dynamic_cast(agent)) { -// cart->SetTimerKillTrial(cart->GetTimerKillTrial() + 1); // Increase the timer for kill trials -// if (cart->GetState() == CartCellState::kActivated && cart->GetTimerKillTrial() >= kTimeKillTrialCart){// If the cell is activated and ready to attack -// auto* sim= Simulation::GetActive(); -// auto* random = sim->GetRandom(); - -// auto* ctxt = sim->GetExecutionContext(); -// const auto& cart_pos = cart->GetPosition(); -// real_t radius = (cart->GetDiameter() + kMaxDiameterTumorCell) * 0.5;//contact distance with tumor cells -// real_t squared_radius = radius * radius + 0.01; // Add a small value to avoid numerical issues - -// TumorCell* closest_target = nullptr; -// real_t min_sq_dist = std::numeric_limits::max(); - -// // Lambda to find the closest alive tumor cell within contact distance -// auto lambda_neighbors = [&](Agent* neighbor, real_t squared_distance) { -// if (auto* tumor = dynamic_cast(neighbor)) { -// real_t contact_dist = (cart->GetDiameter() + tumor->GetDiameter()) * 0.5; -// // Find the closest target within contact distance(+ epsilon) and exclude dead tumor cells (apoptotic are included as possible targets) -// auto recognized_antigens = cart->GetRecognizedAntigens(); -// // auto tumor_antigens = tumor->GetExpressedAntigens(); - -// bool recognized_as_target = false; - -// // Check if CART recognizes the tumor cell's antigens to target it -// for (const auto& pair : recognized_antigens) { -// const std::string& antigen = pair.first; -// bool is_recognized = pair.second; -// if (is_recognized) { -// auto it = tumor_antigens.find(antigen); -// real_t prob = (it != tumor_antigens.end()) ? it->second : 0.0; -// if (random->Uniform(0.0, 1.0) < prob) { -// recognized_as_target = true;//if it detects at any of the antigens, the tumor cell is recognized as a target -// break; -// } -// } -// } - -// if (recognized_as_target && // If the tumor cell is recognized as a target to be killed -// squared_distance <= contact_dist * contact_dist + 0.01 && // Ensure both cells are within contact distance( + epsilon for numerical stability) -// squared_distance < min_sq_dist //&&// Looking for the closest target -// // tumor->GetState() != TumorCellState::kDead -// ) {// the target must not be dead (it can be apoptotic though) -// closest_target = tumor; -// min_sq_dist = squared_distance; -// } -// } -// }; - -// // sim->GetEnvironment()->ForcedUpdate(); - -// // auto functor = bdm::L2F(lambda_neighbors); -// // ctxt->ForEachNeighbor(functor, cart_pos, squared_radius); - -// // if (closest_target) {//there is a target to attack -// // cart->SetTimerKillTrial(0); // Reset the timer for kill trials after an attack -// // // Attack the closest target - -// // real_t prob = (1-closest_target->GetBaseImmunogenicity())*(0.7*(1-cart->GetSuppressionLevel())+0.3*(1-cart->GetExhaustionLevel())); //CHANGE: make a kill probability dependent of suppression and exhaustion levels and tumor immunogenicity -// // if (random->Uniform(0.0, 1.0) < prob) { -// // closest_target->SetState(TumorCellState::kApoptosisInduced); -// // closest_target->SetTimerState(0); // Reset the timer for the target cell -// // } -// // } -// } -// } -// } -// }; - - -// } // namespace bdm - -// #endif // CART_CELL_H_ diff --git a/src/cart_tumor.cc b/src/cart_tumor.cc index 4df4cd6..482ecc4 100644 --- a/src/cart_tumor.cc +++ b/src/cart_tumor.cc @@ -1,16 +1,22 @@ -// ----------------------------------------------------------------------------- -// -// Copyright (C) 2021 CERN & University of Surrey for the benefit of the -// BioDynaMo collaboration. All Rights Reserved. -// -// Licensed under the Apache License, Version 2.0 (the "License"); -// you may not use this file except in compliance with the License. -// -// See the LICENSE file distributed with this work for details. -// See the NOTICE file distributed with this work for additional information -// regarding copyright ownership. -// -// ----------------------------------------------------------------------------- +/* + * Copyright 2025 compiler-research.org, Salvador de la Torre Gonzalez, Luciana Melina Luque + * + * Licensed under the Apache License, Version 2.0 (the "License"); + * you may not use this file except in compliance with the License. + * You may obtain a copy of the License at + * + * http://www.apache.org/licenses/LICENSE-2.0 + * SPDX-License-Identifier: Apache-2.0 + * + * Unless required by applicable law or agreed to in writing, software + * distributed under the License is distributed on an "AS IS" BASIS, + * WITHOUT WARRANTIES OR CONDITIONS OF ANY KIND, either express or implied. + * See the License for the specific language governing permissions and + * limitations under the License. + * + * This file contains a model developed under Google Summer of Code (GSoC) + * for the compiler-research.org organization. + */ #include "cart_tumor.h" int main(int argc, const char** argv) { return bdm::Simulate(argc, argv); } diff --git a/src/cart_tumor.h b/src/cart_tumor.h index 0c1d95d..c73fb63 100644 --- a/src/cart_tumor.h +++ b/src/cart_tumor.h @@ -1,19 +1,22 @@ -// ----------------------------------------------------------------------------- -// Copyright (C) 2025 Salvador de la Torre Gonzalez -// Co-author: Luciana Melina Luque -// -// Licensed under the Apache License, Version 2.0 (the "License"); -// you may not use this file except in compliance with the License. -// You may obtain a copy of the License at -// -// http://www.apache.org/licenses/LICENSE-2.0 -// -// Unless required by applicable law or agreed to in writing, software -// distributed under the License is distributed on an "AS IS" BASIS, -// WITHOUT WARRANTIES OR CONDITIONS OF ANY KIND, either express or implied. -// See the License for the specific language governing permissions and -// limitations under the License. -// ----------------------------------------------------------------------------- +/* + * Copyright 2025 compiler-research.org, Salvador de la Torre Gonzalez, Luciana Melina Luque + * + * Licensed under the Apache License, Version 2.0 (the "License"); + * you may not use this file except in compliance with the License. + * You may obtain a copy of the License at + * + * http://www.apache.org/licenses/LICENSE-2.0 + * SPDX-License-Identifier: Apache-2.0 + * + * Unless required by applicable law or agreed to in writing, software + * distributed under the License is distributed on an "AS IS" BASIS, + * WITHOUT WARRANTIES OR CONDITIONS OF ANY KIND, either express or implied. + * See the License for the specific language governing permissions and + * limitations under the License. + * + * This file contains a model developed under Google Summer of Code (GSoC) + * for the compiler-research.org organization. + */ #ifndef CART_TUMOR_H_ #define CART_TUMOR_H_ @@ -29,19 +32,49 @@ namespace bdm { -// List the extracellular substances -enum Substances { kImmunostimulatoryFactor, kOxygen }; - +/** + * @brief Enumeration of extracellular substances in the simulation + * + * This enum defines the different types of substances that can diffuse + * through the extracellular environment in the simulation. + */ +enum Substances { + /** @brief Immunostimulatory factor substance identifier */ + kImmunostimulatoryFactor, + /** @brief Oxygen substance identifier */ + kOxygen +}; + +/** + * @brief Main simulation function for CAR-T cell and tumor interaction + * + * This function sets up and runs the complete simulation including: + * - Simulation parameters and boundary conditions + * - Mechanical forces and grid environment + * - Diffusion grids for oxygen and immunostimulatory factors + * - Initial tumor cell population + * - Simulation execution and output + * + * @param argc Number of command line arguments + * @param argv Array of command line arguments + * @return Exit code (0 for success) + */ inline int Simulate(int argc, const char** argv) { - // Set simulation bounds + /** @brief Configure simulation parameters + * + * Lambda function to set up simulation parameters including: + * - Random seed for reproducibility + * - Boundary conditions (torus/periodic) + * - Spatial bounds and simulation time step + */ auto set_param = [](Param* param) { - param->random_seed = kSeed; // Set a fixed random seed for reproducibility - param->bound_space = Param::BoundSpaceMode::kTorus;// Periodic boundary + param->random_seed = kSeed; /** @brief Set a fixed random seed for reproducibility */ + param->bound_space = Param::BoundSpaceMode::kTorus; /** @brief Periodic boundary conditions */ param->min_bound = -kBoundedSpaceLength / 2; - param->max_bound = kBoundedSpaceLength/2; // Cube of 1000x1000x1000 centered at origin + param->max_bound = kBoundedSpaceLength/2; /** @brief Cube of 1000x1000x1000 centered at origin */ param->simulation_time_step = kDt; }; @@ -50,93 +83,146 @@ inline int Simulate(int argc, const char** argv) { Simulation simulation(argc, argv, set_param); auto* ctxt = simulation.GetExecutionContext(); - //Change Forces + /** @brief Configure mechanical forces + * + * Change the default mechanical forces to use custom interaction velocity forces + * and set up the uniform grid environment with specified box length. + */ auto* scheduler = simulation.GetScheduler(); auto* op = scheduler->GetOps("mechanical forces")[0]; op->GetImplementation()->SetInteractionForce(new InteractionVelocity()); auto* env = dynamic_cast(Simulation::GetActive()->GetEnvironment()); - env->SetBoxLength(kLengthBoxMechanics); // Fix the box length for the uniform grid environment + env->SetBoxLength(kLengthBoxMechanics); /** @brief Fix the box length for the uniform grid environment */ - // ─────────────────────────────────────── - // Define Substances - // ─────────────────────────────────────── + /** @name Substance Definition and Configuration + * @brief Setup of diffusion grids for extracellular substances + * @{ + */ auto* rm = Simulation::GetActive()->GetResourceManager(); - // Oxygen - // substance_id, name, diffusion_coefficient, decay_constant, resolution, time_step + /** @brief Oxygen diffusion grid setup + * + * Creates a diffusion grid for oxygen with Thomas algorithm solver. + * Parameters: substance_id, name, diffusion_coefficient, decay_constant, resolution, time_step + * Uses Dirichlet boundary conditions to simulate oxygen supply from capillary vessels. + */ auto* oxygen_grid = new DiffusionThomasAlgorithm( kOxygen, "oxygen", - kDiffusionCoefficientOxygen,// 100000 micrometers^2/minute - kDecayConstantOxygen, // 0.1 minutes^-1 + kDiffusionCoefficientOxygen,/** @brief 100000 micrometers^2/minute */ + kDecayConstantOxygen, /** @brief 0.1 minutes^-1 */ kResolutionGridSubstances, kDtSubstances, - true); // true indicates Dirichlet border conditions + true); /** @brief true indicates Dirichlet border conditions */ rm->AddContinuum(oxygen_grid); - // Immunostimulatory Factor - // substance_id, name, diffusion_coefficient, decay_constant, resolution + /** @brief Immunostimulatory factor diffusion grid setup + * + * Creates a diffusion grid for immunostimulatory factors with Thomas algorithm solver. + * Parameters: substance_id, name, diffusion_coefficient, decay_constant, resolution + * Uses Neumann boundary conditions (no flux across boundaries). + */ auto* immunostimulatory_factor_grid = new DiffusionThomasAlgorithm( kImmunostimulatoryFactor, "immunostimulatory_factor", - kDiffusionCoefficientImmunostimulatoryFactor, // 1000 micrometers^2/minute - kDecayConstantImmunostimulatoryFactor, // 0.016 minutes^-1 + kDiffusionCoefficientImmunostimulatoryFactor, /** @brief 1000 micrometers^2/minute */ + kDecayConstantImmunostimulatoryFactor, /** @brief 0.016 minutes^-1 */ kResolutionGridSubstances, kDtSubstances, - false); // false indicates Neumann border conditions + false); /** @brief false indicates Neumann border conditions */ rm->AddContinuum(immunostimulatory_factor_grid); - - // Boundary Conditions Dirichlet: simulating absorption or total loss at the boundaries of the space. - //Oxygen comming from the borders (capillary vessels) + /** @brief Boundary conditions setup + * + * Dirichlet boundary conditions simulate absorption or total loss at the boundaries. + * Oxygen comes from the borders (simulating capillary vessels). + */ ModelInitializer::AddBoundaryConditions( kOxygen, BoundaryConditionType::kDirichlet, - std::make_unique(kOxygenReferenceLevel));// kOxygenReferenceLevel mmHg is the physiological level of oxygen in tissues, o2 saturation is 100% at this level + std::make_unique(kOxygenReferenceLevel));/** @brief kOxygenReferenceLevel mmHg is the physiological level of oxygen in tissues, O2 saturation is 100% at this level */ - //This is useless now but should be added this way in a future version of BioDynaMo + /** @brief Neumann boundary conditions for immunostimulatory factor + * + * This is currently not used but should be added this way in a future version of BioDynaMo + */ ModelInitializer::AddBoundaryConditions( kImmunostimulatoryFactor, BoundaryConditionType::kNeumann, nullptr); - //Initialize oxygen voxels + /** @brief Initialize oxygen concentration throughout the simulation space */ ModelInitializer::InitializeSubstance(kOxygen, [](real_t x, real_t y, real_t z) { - return kInitialOxygenLevel; // Set all voxels to kInitialOxygenLevel mmHg + return kInitialOxygenLevel; /** @brief Set all voxels to kInitialOxygenLevel mmHg */ }); - // ─────────────────────────────────────── - // One spherical tumor of radius kInitialRadiusTumor in the center of the simulation space - // ─────────────────────────────────────── - std::vector positions=CreateSphereOfTumorCells(kInitialRadiusTumor);//positions of the cells - // positions={{0.1,0.1,0.1},{19.9,19.9,19.9}};//Debug {0.1,0.1,0.1},{19.9,19.9,19.9} + /** @} */ // end of Substance Definition and Configuration group + + /** @name Initial Cell Population Setup + * @brief Creation of initial tumor cell population + * @{ + */ + + /** @brief Create spherical tumor of specified radius + * + * Generate positions for tumor cells arranged in a sphere of radius kInitialRadiusTumor + * centered at the origin of the simulation space. + */ + std::vector positions=CreateSphereOfTumorCells(kInitialRadiusTumor);/** @brief positions of the cancer cells */ + + /** @brief Create and initialize tumor cells */ for (const auto& pos : positions) { TumorCell* tumor_cell = new TumorCell(pos); tumor_cell->AddBehavior(new StateControlGrowProliferate()); ctxt->AddAgent(tumor_cell); } - + /** @brief Debug CAR-T cell creation (commented out) + * + * Uncomment to add a single CAR-T cell at origin for debugging purposes + */ // //debug // CartCell* cart_cell = new CartCell({0.,0.,0.}); // cart_cell->AddBehavior(new StateControlCart()); // ctxt->AddAgent(cart_cell); + /** @} */ // end of Initial Cell Population Setup group - //OutputSummary operation + + /** @name Output Operations Setup + * @brief Configuration of simulation output and data collection + * @{ + */ + + /** @brief Setup output summary operation + * + * Creates and schedules an operation to output CSV files at regular intervals + * for data analysis and visualization. + */ auto* summary_op = new bdm::Operation("OutputSummary"); - summary_op->frequency_ = kOutputCsvInterval; // Set the interval for outputting CSV files + summary_op->frequency_ = kOutputCsvInterval; /** @brief Set the interval for outputting CSV files */ summary_op->AddOperationImpl(bdm::kCpu, new bdm::OutputSummary()); scheduler->ScheduleOp(summary_op); + /** @} */ // end of Output Operations Setup group + - // ─────────────────────────────────────── - // Run simulation - // ─────────────────────────────────────── - scheduler->Simulate(1+kTotalMinutesToSimulate/kDt);//simulate kTotalMinutesToSimulate minutes including the last minute + /** @name Simulation Execution + * @brief Run the main simulation loop + * @{ + */ + + /** @brief Execute the simulation + * + * Run the simulation for the specified duration. The simulation runs for + * kTotalMinutesToSimulate minutes including the final minute (hence 1+). + */ + scheduler->Simulate(1+kTotalMinutesToSimulate/kDt);/** @brief simulate kTotalMinutesToSimulate minutes including the last minute */ std::cout << "Simulation completed successfully!" << std::endl; return 0; + + /** @} */ // end of Simulation Execution group } } // namespace bdm diff --git a/src/diffusion_thomas_algorithm.cc b/src/diffusion_thomas_algorithm.cc index c0f64b7..b07cfea 100644 --- a/src/diffusion_thomas_algorithm.cc +++ b/src/diffusion_thomas_algorithm.cc @@ -1,20 +1,22 @@ -// ----------------------------------------------------------------------------- -// Copyright (C) 2025 Salvador de la Torre Gonzalez -// Co-author: Luciana Melina Luque -// -// Licensed under the Apache License, Version 2.0 (the "License"); -// you may not use this file except in compliance with the License. -// You may obtain a copy of the License at -// -// http://www.apache.org/licenses/LICENSE-2.0 -// -// Unless required by applicable law or agreed to in writing, software -// distributed under the License is distributed on an "AS IS" BASIS, -// WITHOUT WARRANTIES OR CONDITIONS OF ANY KIND, either express or implied. -// See the License for the specific language governing permissions and -// limitations under the License. -// ----------------------------------------------------------------------------- - +/* + * Copyright 2025 compiler-research.org, Salvador de la Torre Gonzalez, Luciana Melina Luque + * + * Licensed under the Apache License, Version 2.0 (the "License"); + * you may not use this file except in compliance with the License. + * You may obtain a copy of the License at + * + * http://www.apache.org/licenses/LICENSE-2.0 + * SPDX-License-Identifier: Apache-2.0 + * + * Unless required by applicable law or agreed to in writing, software + * distributed under the License is distributed on an "AS IS" BASIS, + * WITHOUT WARRANTIES OR CONDITIONS OF ANY KIND, either express or implied. + * See the License for the specific language governing permissions and + * limitations under the License. + * + * This file contains a model developed under Google Summer of Code (GSoC) + * for the compiler-research.org organization. + */ #include "diffusion_thomas_algorithm.h" #include "core/resource_manager.h" #include "core/simulation.h" @@ -27,7 +29,7 @@ namespace bdm { DiffusionThomasAlgorithm::DiffusionThomasAlgorithm(int substance_id, std::string substance_name, real_t dc, real_t mu,int resolution, real_t dt, bool dirichlet_border)//time step : DiffusionGrid(substance_id, std::move(substance_name), dc, mu, resolution) { - this->SetTimeStep(dt); + SetTimeStep(dt); resolution_ = GetResolution();//num of voxels in each direction d_space_ = kBoundedSpaceLength / resolution_; // Voxel side length in micrometers @@ -141,7 +143,7 @@ void DiffusionThomasAlgorithm::ApplyDirichletBoundaryConditions() { // Sets the concentration at a specific voxel void DiffusionThomasAlgorithm::SetConcentration(size_t idx, real_t amount){ - this->ChangeConcentrationBy(idx, amount - GetAllConcentrations()[idx], InteractionMode::kAdditive, false); + ChangeConcentrationBy(idx, amount - GetAllConcentrations()[idx], InteractionMode::kAdditive, false); }; // Flattens the 3D coordinates (x, y, z) into a 1D index @@ -183,7 +185,7 @@ void DiffusionThomasAlgorithm::Step(real_t dt) {//instead of overwriting Step, i void DiffusionThomasAlgorithm::DiffuseChemical(real_t dt) { - // CHANGE to add double buffer for paralelization + // Change to add double buffer for paralelization // //Debug // std::ofstream file("output/vector_densities_mine.csv", std::ios::app); @@ -288,9 +290,9 @@ void DiffusionThomasAlgorithm::ComputeConsumptionsSecretions() { rm->ForEachAgent([this, current_time](bdm::Agent* agent) { if (auto* cell = dynamic_cast(agent)) { const auto& pos = cell->GetPosition(); - real_t conc = this->GetValue(pos); + real_t conc = GetValue(pos); real_t new_conc = cell->ConsumeSecreteSubstance(GetContinuumId(),conc); - this->ChangeConcentrationBy(pos, new_conc - conc, InteractionMode::kAdditive, false); + ChangeConcentrationBy(pos, new_conc - conc, InteractionMode::kAdditive, false); } //Debug // std::ofstream file("output/consumptions_mine.csv", std::ios::app); diff --git a/src/diffusion_thomas_algorithm.h b/src/diffusion_thomas_algorithm.h index 36b496c..dc0d67a 100644 --- a/src/diffusion_thomas_algorithm.h +++ b/src/diffusion_thomas_algorithm.h @@ -1,19 +1,22 @@ -// ----------------------------------------------------------------------------- -// Copyright (C) 2025 Salvador de la Torre Gonzalez -// Co-author: Luciana Melina Luque -// -// Licensed under the Apache License, Version 2.0 (the "License"); -// you may not use this file except in compliance with the License. -// You may obtain a copy of the License at -// -// http://www.apache.org/licenses/LICENSE-2.0 -// -// Unless required by applicable law or agreed to in writing, software -// distributed under the License is distributed on an "AS IS" BASIS, -// WITHOUT WARRANTIES OR CONDITIONS OF ANY KIND, either express or implied. -// See the License for the specific language governing permissions and -// limitations under the License. -// ----------------------------------------------------------------------------- +/* + * Copyright 2025 compiler-research.org, Salvador de la Torre Gonzalez, Luciana Melina Luque + * + * Licensed under the Apache License, Version 2.0 (the "License"); + * you may not use this file except in compliance with the License. + * You may obtain a copy of the License at + * + * http://www.apache.org/licenses/LICENSE-2.0 + * SPDX-License-Identifier: Apache-2.0 + * + * Unless required by applicable law or agreed to in writing, software + * distributed under the License is distributed on an "AS IS" BASIS, + * WITHOUT WARRANTIES OR CONDITIONS OF ANY KIND, either express or implied. + * See the License for the specific language governing permissions and + * limitations under the License. + * + * This file contains a model developed under Google Summer of Code (GSoC) + * for the compiler-research.org organization. + */ #ifndef DIFFUSION_THOMAS_ALGORITHM_H_ #define DIFFUSION_THOMAS_ALGORITHM_H_ @@ -24,93 +27,258 @@ namespace bdm { -/** @brief Continuum model for the 3D heat equation with exponential decay - \f$ \partial_t u = \nabla D \nabla u - \mu u \f$. -*/ +/** + * @brief Continuum model for the 3D heat equation with exponential decay + * + * Implements the diffusion equation: ∂t u = ∇D∇u - μu + * Uses the Thomas algorithm for solving tridiagonal systems efficiently. + */ class DiffusionThomasAlgorithm : public DiffusionGrid { public: + /** @brief Default constructor */ DiffusionThomasAlgorithm() = default; - DiffusionThomasAlgorithm(int substance_id, // Substance ID - std::string substance_name, // Substance name - real_t dc, // Diffusion coefficient - real_t mu,// Diffusion coefficient and decay constant - int resolution, // number of voxels in each direction - real_t dt,//time step - bool dirichlet_border);//if the border conditions are Dirichlet, this flag should not be necessary in a future version of BioDynaMo - - //Methonds to set new concentration at a given position + + /** @brief Constructor with full parameter specification + * + * @param substance_id Unique identifier for the substance + * @param substance_name Human-readable name of the substance + * @param dc Diffusion coefficient (μm²/min) + * @param mu Decay constant (min⁻¹) + * @param resolution Number of voxels in each spatial direction + * @param dt Time step for simulation (min) + * @param dirichlet_border Flag indicating Dirichlet boundary conditions + * (this flag should not be necessary in a future version of BioDynaMo) + */ + DiffusionThomasAlgorithm(int substance_id, + std::string substance_name, + real_t dc, + real_t mu, + int resolution, + real_t dt, + bool dirichlet_border); + + /** @name Concentration Setters + * @brief Methods to set substance concentration at specific locations + * @{ + */ + + /** @brief Set concentration at spatial coordinates + * + * @param x X-coordinate in micrometers + * @param y Y-coordinate in micrometers + * @param z Z-coordinate in micrometers + * @param amount Concentration value to set + */ void SetConcentration(real_t x, real_t y, real_t z, real_t amount){ SetConcentration(GetBoxIndex(x, y, z), amount); }; + + /** @brief Set concentration at voxel index + * + * @param idx Linear index of the voxel + * @param amount Concentration value to set + */ void SetConcentration(size_t idx, real_t amount); - //These methods are overridden but empty because they are not used. This should be fixed in future versions of BioDynaMo + /** @} */ // end of Concentration Setters group + + /** @name Legacy Diffusion Methods (Unused) + * @brief Overridden methods that are empty as they are not used + * + * These methods are overridden but empty because they are not used. + * This should be fixed in future versions of BioDynaMo. + * @{ + */ + + /** @brief Diffusion with closed edge boundary conditions (not implemented) */ void DiffuseWithClosedEdge(real_t dt) override{}; + + /** @brief Diffusion with open edge boundary conditions (not implemented) */ void DiffuseWithOpenEdge(real_t dt) override{}; + + /** @brief Diffusion with Neumann boundary conditions (not implemented) */ void DiffuseWithNeumann(real_t dt) override{}; + + /** @brief Diffusion with periodic boundary conditions (not implemented) */ void DiffuseWithPeriodic(real_t dt) override{}; + + /** @brief Diffusion with Dirichlet boundary conditions (not implemented) */ void DiffuseWithDirichlet(real_t dt) override{}; + /** @} */ // end of Legacy Diffusion Methods group - //These methods are the important ones + + /** @name Core Diffusion Methods + * @brief Main methods for diffusion computation + * @{ + */ + + /** @brief Perform chemical diffusion using Thomas algorithm + * + * Computes the diffusion of the substance using the Thomas algorithm + * for solving tridiagonal systems efficiently. + * + * @param dt Time step for the diffusion computation + */ void DiffuseChemical(real_t dt); + + /** @brief Execute one simulation step + * + * Main stepping function that performs one time step of the simulation, + * including diffusion and cellular consumption/secretion. + * + * @param dt Time step for the simulation + */ void Step(real_t dt) override; - // ───────────────────────────── - // Secretion or consumption of a substance following the differential equation - // ∂ρ/∂t = ∇·(D ∇ρ) − λ · ρ + sum_{cells in voxel}((V_k / V_voxel) · [ S_k · ( ρ*_k − ρ ) − (S_k + U_k) · ρ ]) - // where: - // ρ = concentration of the substance in the microenvironment - // S_k = secretion rate of cell k - // U_k = uptake (consumption) rate of cell k - // ρ*_k = saturation (target) density for secretion - // V_k = volume of the cell k which is approximated to the default volume of a new tumor cell - // V_voxel = volume of the voxel containing the cell - // dt = simulation time step - // - // In this class, we only model the secretion and consumption of the substance, - // not its diffusion, which is: - // (ρ − σ)/dt = sum_{cells in voxel}((V_k / V_voxel) · [ S_k · ( ρ*_k − ρ ) − (S_k + U_k) · ρ ]) - // where σ is the concentration of the substance in the voxel at the previous time step (it can include the diffusion term) - // ρⁿ⁺¹ = (ρⁿ + dt · (V_k / V_voxel) · S_k · ρ*_k) - // / [1 + dt · (V_k / V_voxel) · (S_k + U_k)] - // - // where: - // ρⁿ = current concentration - // ρⁿ⁺¹ = updated concentration after secretion/uptake - // This assumes secretion is toward a saturation level, and uptake is proportional to ρ - // ───────────────────────────── - + /** @brief Compute cellular consumption and secretion effects + * + * Handles secretion or consumption of substances following the differential equation: + * + * ∂ρ/∂t = ∇·(D ∇ρ) − λ · ρ + sum_{cells in voxel}((V_k / V_voxel) · [ S_k · ( ρ*_k − ρ ) − (S_k + U_k) · ρ ]) + * + * Where: + * - ρ = concentration of the substance in the microenvironment + * - S_k = secretion rate of cell k + * - U_k = uptake (consumption) rate of cell k + * - ρ*_k = saturation (target) density for secretion + * - V_k = volume of cell k (approximated to default volume of new tumor cell) + * - V_voxel = volume of the voxel containing the cell + * - dt = simulation time step + * + * In this class, we only model the secretion and consumption of the substance, + * not its diffusion, which follows: + * (ρ − σ)/dt = sum_{cells in voxel}((V_k / V_voxel) · [ S_k · ( ρ*_k − ρ ) − (S_k + U_k) · ρ ]) + * + * Where σ is the concentration at the previous time step (may include diffusion term). + * The solution is: + * ρⁿ⁺¹ = (ρⁿ + dt · (V_k / V_voxel) · S_k · ρ*_k) / [1 + dt · (V_k / V_voxel) · (S_k + U_k)] + * + * Where: + * - ρⁿ = current concentration + * - ρⁿ⁺¹ = updated concentration after secretion/uptake + * + * This assumes secretion is toward a saturation level, and uptake is proportional to ρ. + * + * In a future version, consider using a Behavior associated to each agent but controlling the time in which it is applied so that it is executed always after the diffusion module + * + */ void ComputeConsumptionsSecretions(); + + /** @} */ // end of Core Diffusion Methods group + /** @name Private Member Variables + * @brief Internal data structures and parameters + * @{ + */ private: - size_t resolution_; // Number of voxels in each direction - real_t d_space_; // Voxel side length in micrometers - - std::vector thomas_denom_x_; // Denominators for x-direction - std::vector thomas_c_x_; // Coefficients for x-direction - std::vector thomas_denom_y_; // Denominators for y-direction - std::vector thomas_c_y_; // Coefficients for y-direction - std::vector thomas_denom_z_; // Denominators for z-direction - std::vector thomas_c_z_; // Coefficients for z-direction + /** @brief Number of voxels in each spatial direction */ + size_t resolution_; + + /** @brief Voxel side length in micrometers */ + real_t d_space_; + + /** @name Thomas Algorithm Coefficients + * @brief Precomputed coefficients for Thomas algorithm in each direction + * @{ + */ + + /** @brief Denominators for x-direction Thomas algorithm */ + std::vector thomas_denom_x_; + + /** @brief Coefficients for x-direction Thomas algorithm */ + std::vector thomas_c_x_; + + /** @brief Denominators for y-direction Thomas algorithm */ + std::vector thomas_denom_y_; + + /** @brief Coefficients for y-direction Thomas algorithm */ + std::vector thomas_c_y_; + + /** @brief Denominators for z-direction Thomas algorithm */ + std::vector thomas_denom_z_; + + /** @brief Coefficients for z-direction Thomas algorithm */ + std::vector thomas_c_z_; + + /** @} */ // end of Thomas Algorithm Coefficients group + + /** @name Index Jump Values + * @brief Precomputed index jumps for 3D array traversal + * @{ + */ + + /** @brief Index jump for i-direction (x-axis) */ int jump_i_; + + /** @brief Index jump for j-direction (y-axis) */ int jump_j_; + + /** @brief Index jump for k-direction (z-axis) */ int jump_k_; + + /** @} */ // end of Index Jump Values group + /** @name Precomputed Constants + * @brief Constants used in diffusion calculations + * @{ + */ + + /** @brief First diffusion constant */ real_t constant1_; + + /** @brief Alternative first diffusion constant */ real_t constant1a_; + + /** @brief Second diffusion constant */ real_t constant2_; + + /** @brief Third diffusion constant */ real_t constant3_; + + /** @brief Alternative third diffusion constant */ real_t constant3a_; + + /** @} */ // end of Precomputed Constants group - bool dirichlet_border_; // Flag to indicate if the border conditions are Dirichlet + /** @brief Flag indicating Dirichlet boundary conditions */ + bool dirichlet_border_; - // Function for initializing the coefficients of each direction + /** @} */ // end of Private Member Variables group + + /** @name Private Helper Methods + * @brief Internal utility functions + * @{ + */ + + /** @brief Initialize Thomas algorithm coefficient vectors + * + * Sets up the precomputed coefficients for efficient Thomas algorithm + * execution in the specified direction. + * + * @param thomas_denom Reference to denominator vector to initialize + * @param thomas_c Reference to coefficient vector to initialize + */ void InitializeThomasAlgorithmVectors(std::vector& thomas_denom, std::vector& thomas_c); - // Function to apply Dirichlet boundary conditions to the grid + + /** @brief Apply Dirichlet boundary conditions to the diffusion grid + * + * Sets the boundary values according to Dirichlet boundary conditions, + * maintaining constant values at the grid boundaries. + */ void ApplyDirichletBoundaryConditions(); + /** @brief Convert 3D coordinates to linear index + * + * @param x X-coordinate in voxel space + * @param y Y-coordinate in voxel space + * @param z Z-coordinate in voxel space + * @return Linear index in the flattened 3D array + */ size_t GetBoxIndex(size_t x, size_t y, size_t z) const; + + /** @} */ // end of Private Helper Methods group + BDM_CLASS_DEF_OVERRIDE(DiffusionThomasAlgorithm, 1); }; diff --git a/src/forces_tumor_cart.cc b/src/forces_tumor_cart.cc index b0239bf..f45d209 100644 --- a/src/forces_tumor_cart.cc +++ b/src/forces_tumor_cart.cc @@ -1,19 +1,22 @@ -// ----------------------------------------------------------------------------- -// Copyright (C) 2025 Salvador de la Torre Gonzalez -// Co-author: Luciana Melina Luque -// -// Licensed under the Apache License, Version 2.0 (the "License"); -// you may not use this file except in compliance with the License. -// You may obtain a copy of the License at -// -// http://www.apache.org/licenses/LICENSE-2.0 -// -// Unless required by applicable law or agreed to in writing, software -// distributed under the License is distributed on an "AS IS" BASIS, -// WITHOUT WARRANTIES OR CONDITIONS OF ANY KIND, either express or implied. -// See the License for the specific language governing permissions and -// limitations under the License. -// ----------------------------------------------------------------------------- +/* + * Copyright 2025 compiler-research.org, Salvador de la Torre Gonzalez, Luciana Melina Luque + * + * Licensed under the Apache License, Version 2.0 (the "License"); + * you may not use this file except in compliance with the License. + * You may obtain a copy of the License at + * + * http://www.apache.org/licenses/LICENSE-2.0 + * SPDX-License-Identifier: Apache-2.0 + * + * Unless required by applicable law or agreed to in writing, software + * distributed under the License is distributed on an "AS IS" BASIS, + * WITHOUT WARRANTIES OR CONDITIONS OF ANY KIND, either express or implied. + * See the License for the specific language governing permissions and + * limitations under the License. + * + * This file contains a model developed under Google Summer of Code (GSoC) + * for the compiler-research.org organization. + */ #include "forces_tumor_cart.h" @@ -55,8 +58,10 @@ Real4 InteractionVelocity::Calculate(const Agent* lhs, const Agent* rhs) const { if (distance < R) { - temp_r = 1.0 - distance / R; // 1 - d/R - temp_r *= temp_r;// (1 - d/R)^2 + // 1 - d/R + temp_r = 1.0 - distance / R; + // (1 - d/R)^2 + temp_r *= temp_r; double repulsion; // std::cout << "temp_r = " << temp_r<< std::endl;// Debug output @@ -85,8 +90,10 @@ Real4 InteractionVelocity::Calculate(const Agent* lhs, const Agent* rhs) const { if (distance < max_interaction_distance) { - double temp_a = 1.0 - distance / max_interaction_distance; // 1 - d/S - temp_a *= temp_a;// (1-d/S)^2 + // 1 - d/S + double temp_a = 1.0 - distance / max_interaction_distance; + // (1-d/S)^2 + temp_a *= temp_a; // std::cout << "temp_a = " << temp_a << std::endl;// Debug output @@ -142,7 +149,7 @@ Real4 InteractionVelocity::Calculate(const Agent* lhs, const Agent* rhs) const { // return{0.,0.,0.,0.};//debug - return {2*force_magnitude * displacement[0],//Change this is aggregated twice in the papers code + return {2*force_magnitude * displacement[0], 2*force_magnitude * displacement[1], 2*force_magnitude * displacement[2], 0.0}; // 4th component is unused diff --git a/src/forces_tumor_cart.h b/src/forces_tumor_cart.h index 9a629fa..2edde28 100644 --- a/src/forces_tumor_cart.h +++ b/src/forces_tumor_cart.h @@ -1,19 +1,22 @@ -// ----------------------------------------------------------------------------- -// Copyright (C) 2025 Salvador de la Torre Gonzalez -// Co-author: Luciana Melina Luque -// -// Licensed under the Apache License, Version 2.0 (the "License"); -// you may not use this file except in compliance with the License. -// You may obtain a copy of the License at -// -// http://www.apache.org/licenses/LICENSE-2.0 -// -// Unless required by applicable law or agreed to in writing, software -// distributed under the License is distributed on an "AS IS" BASIS, -// WITHOUT WARRANTIES OR CONDITIONS OF ANY KIND, either express or implied. -// See the License for the specific language governing permissions and -// limitations under the License. -// ----------------------------------------------------------------------------- +/* + * Copyright 2025 compiler-research.org, Salvador de la Torre Gonzalez, Luciana Melina Luque + * + * Licensed under the Apache License, Version 2.0 (the "License"); + * you may not use this file except in compliance with the License. + * You may obtain a copy of the License at + * + * http://www.apache.org/licenses/LICENSE-2.0 + * SPDX-License-Identifier: Apache-2.0 + * + * Unless required by applicable law or agreed to in writing, software + * distributed under the License is distributed on an "AS IS" BASIS, + * WITHOUT WARRANTIES OR CONDITIONS OF ANY KIND, either express or implied. + * See the License for the specific language governing permissions and + * limitations under the License. + * + * This file contains a model developed under Google Summer of Code (GSoC) + * for the compiler-research.org organization. + */ #ifndef FORCES_TUMOR_CART_H_ #define FORCES_TUMOR_CART_H_ @@ -28,13 +31,41 @@ namespace bdm { +/** + * @brief Custom interaction force implementation for velocity-based cell interactions + * + * This class implements a specialized interaction force that takes into account + * the velocity of cells when calculating forces between agents (tumor cells and CAR-T cells). + * It extends the base InteractionForce class to provide custom force calculations + * specific to the tumor-CAR-T cell interaction simulation. + */ class InteractionVelocity : public InteractionForce { public: + /** @brief Default constructor */ InteractionVelocity() = default; + + /** @brief Virtual destructor */ ~InteractionVelocity() override = default; + /** @brief Calculate interaction force between two agents + * + * Computes the force vector between two agents (cells) based on their + * positions, properties, and velocities. This method is called by the + * mechanical forces operation during each simulation step. + * + * @param lhs Pointer to the first agent (left-hand side) + * @param rhs Pointer to the second agent (right-hand side) + * @return Real4 vector containing the force components (fx, fy, fz, magnitude) + */ Real4 Calculate(const Agent* lhs, const Agent* rhs) const override; + /** @brief Create a copy of this interaction force + * + * Creates a new instance of the InteractionVelocity force for use + * in multi-threaded simulations where each thread needs its own copy. + * + * @return Pointer to a new InteractionVelocity instance + */ InteractionForce* NewCopy() const override; }; diff --git a/src/hyperparams.h b/src/hyperparams.h index 80ba478..2d866d2 100644 --- a/src/hyperparams.h +++ b/src/hyperparams.h @@ -1,19 +1,22 @@ -// ----------------------------------------------------------------------------- -// Copyright (C) 2025 Salvador de la Torre Gonzalez -// Co-author: Luciana Melina Luque -// -// Licensed under the Apache License, Version 2.0 (the "License"); -// you may not use this file except in compliance with the License. -// You may obtain a copy of the License at -// -// http://www.apache.org/licenses/LICENSE-2.0 -// -// Unless required by applicable law or agreed to in writing, software -// distributed under the License is distributed on an "AS IS" BASIS, -// WITHOUT WARRANTIES OR CONDITIONS OF ANY KIND, either express or implied. -// See the License for the specific language governing permissions and -// limitations under the License. -// ----------------------------------------------------------------------------- +/* + * Copyright 2025 compiler-research.org, Salvador de la Torre Gonzalez, Luciana Melina Luque + * + * Licensed under the Apache License, Version 2.0 (the "License"); + * you may not use this file except in compliance with the License. + * You may obtain a copy of the License at + * + * http://www.apache.org/licenses/LICENSE-2.0 + * SPDX-License-Identifier: Apache-2.0 + * + * Unless required by applicable law or agreed to in writing, software + * distributed under the License is distributed on an "AS IS" BASIS, + * WITHOUT WARRANTIES OR CONDITIONS OF ANY KIND, either express or implied. + * See the License for the specific language governing permissions and + * limitations under the License. + * + * This file contains a model developed under Google Summer of Code (GSoC) + * for the compiler-research.org organization. + */ #ifndef TUMOR_HYPERPARAMS_H_ #define TUMOR_HYPERPARAMS_H_ @@ -25,163 +28,379 @@ namespace bdm { -// ───────────────────────────── -// TumorCell Hyperparameters -// ───────────────────────────── +/** @name Tumor Cell Hyperparameters + * @brief Parameters controlling tumor cell behavior and properties. This should be in a not recompiled parameters file in the future + * @{ + */ -constexpr real_t kRateSecretionImmunostimulatoryFactor= 10.0; // Rate of secretion of immunostimulatory factor of tumor cells per minute -constexpr real_t kSaturationDensityImmunostimulatoryFactor = 1.0; // Saturation density of immunostimulatory factor for tumor cells -constexpr real_t kOncoproteinMean = 1.0; // Mean level of oncoprotein expression in tumor cells -constexpr real_t kOncoproteinStandardDeviation = 0.25; // Standard deviation of oncoprotein expression in tumor cells -constexpr real_t kOxygenSaturationInProliferation = 38.0; // Oxygen saturation level in tumor cells for proliferation -constexpr real_t kOxygenLimitForProliferation = 10.0; // Limit of oxygen level for tumor cell proliferation -constexpr real_t kOxygenLimitForNecrosis = 5.0; // Limit of oxygen to start causing necrosis -constexpr real_t kOxygenLimitForNecrosisMaximum= 2.5; // Limit of oxygen to maximum necrosis probability +/** @brief Rate of immunostimulatory factor secretion by tumor cells (per minute) */ +constexpr real_t kRateSecretionImmunostimulatoryFactor= 10.0; + +/** @brief Saturation density of immunostimulatory factor for tumor cells */ +constexpr real_t kSaturationDensityImmunostimulatoryFactor = 1.0; + +/** @brief Mean level of oncoprotein expression in tumor cells */ +constexpr real_t kOncoproteinMean = 1.0; + +/** @brief Standard deviation of oncoprotein expression in tumor cells */ +constexpr real_t kOncoproteinStandardDeviation = 0.25; + +/** @brief Oxygen saturation level required for tumor cell proliferation (mmHg) */ +constexpr real_t kOxygenSaturationInProliferation = 38.0; + +/** @brief Minimum oxygen level threshold for tumor cell proliferation (mmHg) */ +constexpr real_t kOxygenLimitForProliferation = 10.0; + +/** @brief Oxygen level threshold below which necrosis begins (mmHg) */ +constexpr real_t kOxygenLimitForNecrosis = 5.0; + +/** @brief Oxygen level for maximum necrosis probability (mmHg) */ +constexpr real_t kOxygenLimitForNecrosisMaximum= 2.5; +/** @brief Transition rates for Ki67 expression states (commented out) + * + * Transition rates for Ki67 expression states in min⁻¹: + * - Rate from 0 to 1 (ki67 negative to ki67 positive pre-mitotic) + * - Rate from 1 to 2 (ki67 positive pre-mitotic to ki67 positive post-mitotic) + * - Rate from 2 to 0 (ki67 positive post-mitotic to ki67 negative) + */ // constexpr real_t kTransitionRateKi67[] = {// Transition rates for Ki67 expression states in min**-1 // 1.0 / (3.62 * 60.0), // Rate from 0 to 1 (ki67 negative to ki67 positive pre-mitotic) // 1.0 / (13.0 * 60.0), // Rate from 1 to 2 (ki67 positive pre-mitotic to ki67 positive post-mitotic) // 1.0 / (2.5 * 60.0) // Rate from 2 to 0 (ki67 positive post-mitotic to ki67 negative) // }; -constexpr real_t kTimeLysis = 60*24*60.; // Time in minutes until a lysed necrotic cell is removed from the simulation -constexpr real_t kDivisionRate = 0.02717 / 60.0; // Rate of cell division in min**-1 -constexpr real_t kMaximumNecrosisRate= 1.0 / (6.0 * 60.0); // Maximum rate per minute of necrosis for tumor cells in case of hypoxia with 0 oxygen -constexpr real_t kDefaultOxygenConsumption = 10.0; // Default oxygen consumption rate of tumor cell -//Volume parameters -constexpr real_t kDefaultVolumeNewTumorCell = 2494.0; // Default total volume of a new tumor cell in μm³ -constexpr real_t kDefaultVolumeNucleusTumorCell = 540.0; // Default volume of the nucleus of a new tumor cell in μm³ -constexpr real_t kDefaultFractionFluidTumorCell = 0.75; // Default fraction of fluid volume in a new tumor cell +/** @brief Time until a lysed necrotic cell is removed from simulation (minutes) */ +constexpr real_t kTimeLysis = 60*24*60.; + +/** @brief Rate of cell division (min⁻¹) */ +constexpr real_t kDivisionRate = 0.02717 / 60.0; + +/** @brief Maximum necrosis rate for tumor cells in hypoxic conditions (min⁻¹) */ +constexpr real_t kMaximumNecrosisRate= 1.0 / (6.0 * 60.0); + +/** @brief Default oxygen consumption rate of tumor cells */ +constexpr real_t kDefaultOxygenConsumption = 10.0; +/** @name Volume Parameters + * @brief Default volume parameters for tumor cells + * @{ + */ + +/** @brief Default total volume of a new tumor cell (μm³) */ +constexpr real_t kDefaultVolumeNewTumorCell = 2494.0; + +/** @brief Default volume of the nucleus of a new tumor cell (μm³) */ +constexpr real_t kDefaultVolumeNucleusTumorCell = 540.0; -//volume relaxation rate (min^-1) for each state -constexpr real_t kVolumeRelaxarionRateAliveCytoplasm =0.13/60.;// 0.27/ 60.0; -constexpr real_t kVolumeRelaxarionRateAliveNucleus = 0.22/60.;//0.33/60. -constexpr real_t kVolumeRelaxarionRateAliveFluid = 1.3/60.;//3.0/60. +/** @brief Default fraction of fluid volume in a new tumor cell */ +constexpr real_t kDefaultFractionFluidTumorCell = 0.75; +/** @} */ // end of Volume Parameters group + + +/** @name Volume Relaxation Rates + * @brief Volume relaxation rates (min⁻¹) for different cell states + * @{ + */ + +/** @name Alive Cell Volume Relaxation Rates + * @brief Relaxation rates for living cells + * @{ + */ + +/** @brief Volume relaxation rate for cytoplasm in alive cells (min⁻¹) */ +constexpr real_t kVolumeRelaxarionRateAliveCytoplasm =0.13/60.; + +/** @brief Volume relaxation rate for nucleus in alive cells (min⁻¹) */ +constexpr real_t kVolumeRelaxarionRateAliveNucleus = 0.22/60.; + +/** @brief Volume relaxation rate for fluid in alive cells (min⁻¹) */ +constexpr real_t kVolumeRelaxarionRateAliveFluid = 1.3/60.; + +/** @} */ // end of Alive Cell Volume Relaxation Rates group + +/** @name Necrotic Swelling Volume Relaxation Rates + * @brief Relaxation rates for necrotic cells during swelling phase + * @{ + */ + +/** @brief Volume relaxation rate for cytoplasm in necrotic swelling cells (min⁻¹) */ constexpr real_t kVolumeRelaxarionRateCytoplasmNecroticSwelling = 0.0032/60.0; + +/** @brief Volume relaxation rate for nucleus in necrotic swelling cells (min⁻¹) */ constexpr real_t kVolumeRelaxarionRateNucleusNecroticSwelling = 0.013/60.; + +/** @brief Volume relaxation rate for fluid in necrotic swelling cells (min⁻¹) */ constexpr real_t kVolumeRelaxarionRateFluidNecroticSwelling = 0.050/60.0; +/** @} */ // end of Necrotic Swelling Volume Relaxation Rates group + +/** @name Necrotic Lysed Volume Relaxation Rates + * @brief Relaxation rates for necrotic cells during lysis phase + * @{ + */ + +/** @brief Volume relaxation rate for cytoplasm in necrotic lysed cells (min⁻¹) */ constexpr real_t kVolumeRelaxarionRateCytoplasmNecroticLysed = 0.0032/60.00; + +/** @brief Volume relaxation rate for nucleus in necrotic lysed cells (min⁻¹) */ constexpr real_t kVolumeRelaxarionRateNucleusNecroticLysed = 0.013/60.; + +/** @brief Volume relaxation rate for fluid in necrotic lysed cells (min⁻¹) */ constexpr real_t kVolumeRelaxarionRateFluidNecroticLysed = 0.050/60.0; +/** @} */ // end of Necrotic Lysed Volume Relaxation Rates group +/** @} */ // end of Volume Relaxation Rates group +/** @} */ // end of Tumor Cell Hyperparameters group + + +/** @name General Simulation Hyperparameters + * @brief Core simulation parameters and timing + * @{ + */ + +/** @brief Seed for random number generation */ +constexpr int kSeed =3; + +/** @name Time Steps + * @brief Different time steps for various simulation processes + * @{ + */ + +/** @brief Time step for substance secretion/consumption (minutes) */ +constexpr real_t kDtSubstances = 0.01; + +/** @brief Time step for cell mechanics (minutes) */ +constexpr real_t kDtMechanics = 0.1; + +/** @brief Time step for cell cycle processes (minutes) */ +constexpr real_t kDtCycle = 6.0; + +/** @brief General time step for the simulation (same as kDtMechanics) + * @warning Do not modify this line + */ +constexpr real_t kDt = kDtMechanics; -// ───────────────────────────── -// General Hyperparameters -// ───────────────────────────── +/** @brief Number of steps per cycle step + * @warning Do not modify this line. Computed to avoid errors with fmod + */ +constexpr int kStepsPerCycle = kDtCycle / kDt; -constexpr int kSeed =3; // Seed for random number generation +/** @} */ // end of Time Steps group -constexpr real_t kDtSubstances = 0.01; // 0.01 minutes time step for substances secretion/consumption -constexpr real_t kDtMechanics = 0.1; // 0.1 minutes time step for the cell mechanics -constexpr real_t kDtCycle = 6.0; // 6 minutes time step for the cell cycle +/** @name Simulation Duration and Output + * @brief Parameters controlling simulation length and output frequency + * @{ + */ -constexpr real_t kDt = kDtMechanics; // General time step for the simulation: it is the same as kDtMechanics, do not modify this line -constexpr int kStepsPerCycle = kDtCycle / kDt; // Number of steps per cycle step, do not modify this line. Needs to be computed to avoid errors with fmod +/** @brief Output summary interval (every 12 hours in simulation time) */ +constexpr int kOutputCsvInterval = 12*60/kDt; -constexpr int kOutputCsvInterval = 12*60/kDt;// Output little summary each half a day +/** @brief Total simulation time in minutes (30 days) */ +constexpr int kTotalMinutesToSimulate = 30*24*60; +/** @} */ // end of Simulation Duration and Output group -constexpr int kTotalMinutesToSimulate = 30*24*60; //30 * 24 * 60; // Total simulation time in minutes (30 days) -constexpr int kBoundedSpaceLength = 1000; // Length of the bounded space in micrometers -constexpr real_t kInitialRadiusTumor = 150; // Initial radius of the spherical tumor (group of cancer cells) in micrometers +/** @name Spatial Parameters + * @brief Parameters defining the simulation space + * @{ + */ +/** @brief Length of the bounded simulation space (micrometers) */ +constexpr int kBoundedSpaceLength = 1000; +/** @brief Initial radius of the spherical tumor (micrometers) */ +constexpr real_t kInitialRadiusTumor = 150; + +/** @} */ // end of Spatial Parameters group + + +/** @name Apoptosis Parameters + * @brief Parameters for apoptotic cell behavior + * @{ + */ + +/** @brief Volume relaxation rate for cytoplasm in apoptotic cells (min⁻¹) */ constexpr real_t kVolumeRelaxarionRateCytoplasmApoptotic = 1.0/60.0; + +/** @brief Volume relaxation rate for nucleus in apoptotic cells (min⁻¹) */ constexpr real_t kVolumeRelaxarionRateNucleusApoptotic = 0.35/60.0; + +/** @brief Volume relaxation rate for fluid in apoptotic cells (min⁻¹) */ constexpr real_t kVolumeRelaxarionRateFluidApoptotic = 0.0; -constexpr real_t kTimeApoptosis = 8.6*60; // Time in minutes until an apoptotic cell is removed from the simulation -constexpr real_t kReductionConsumptionDeadCells= 0.1; // Reduction of consumption rate of dead cells when they enter necrosis - - - -//Chemicals -constexpr int kResolutionGridSubstances = 50; //50 // voxels per axis -constexpr real_t kVoxelVolume = (kBoundedSpaceLength / kResolutionGridSubstances)*(kBoundedSpaceLength / kResolutionGridSubstances)*(kBoundedSpaceLength/ kResolutionGridSubstances); //Do not modify this line -constexpr real_t kDiffusionCoefficientOxygen = 100000; // 100000 micrometers^2/minute -constexpr real_t kDecayConstantOxygen = 0.1; // 0.1 minutes^-1 -constexpr real_t kDiffusionCoefficientImmunostimulatoryFactor = 1000; // 1000 micrometers^2/minute -constexpr real_t kDecayConstantImmunostimulatoryFactor = 0.016; // 0.016 minutes^-1 -constexpr real_t kTimeStepOxygen = 0.0005; // 0.001 minutes CHANGE -constexpr real_t kTimeStepImmunostimulatoryFactor = 0.01; // 0.01 minutes -constexpr real_t kOxygenReferenceLevel = 38.; // Reference level of oxygen at the boundaries of the simulation space in mmHg -constexpr real_t kInitialOxygenLevel = 38.0; // Initial voxel concentration of oxygen in mmHg -constexpr real_t kOxygenSaturation = 30.0; //30.0 // Oxygen saturation in mmHg in microenvironment -//Forces -constexpr real_t kRepulsionTumorTumor = 10.0; // Repulsion coeficient between tumor cells -constexpr real_t kRepulsionCartCart = 50.0; // Repulsion coeficient between CAR-T cells -constexpr real_t kRepulsionCartTumor = 50.0; // Repulsion coeficient between CAR-T cells and tumor cells -constexpr real_t kRepulsionTumorCart = 10.0; // Repulsion coeficient between tumor cells and CAR-T cells -constexpr real_t kMaxRelativeAdhesionDistance =1.25; // Maximum relative adhesion distance for cell interactions -constexpr real_t kAdhesionTumorTumor = 0.4; // Adhesion coeficient between tumor cells -constexpr real_t kAdhesionCartCart = 0.0; // Adhesion coeficient between CAR-T cells -constexpr real_t kAdhesionCartTumor = 0.0; // Adhesion coeficient between CAR-T cells and tumor cells -constexpr real_t kAdhesionTumorCart = 0.0; // Adhesion coeficient between tumor cells and CAR-T cells - -//Do not change -//coefficientes for the two step Adams-Bashforth approximation of the time derivative for position -//position(t + dt) ≈ position(t) + dt * [ 1.5 * velocity(t) - 0.5 * velocity(t - dt) ] -constexpr real_t kDnew= 1.5*kDtMechanics; //dt*1.5 -constexpr real_t kDold = -0.5*kDtMechanics; // dt*(-0.5) - -//Do not change this line -const real_t kLengthBoxMechanics =22; // Length of the box for mechanics in micrometers - -//Max Distance for considering two cells as neighbours for force calculations in μm -//Do not change this line -const real_t kSquaredMaxDistanceNeighborsForce = std::pow(0.1+ std::cbrt(kDefaultVolumeNewTumorCell * 6 / Math::kPi) * kMaxRelativeAdhesionDistance,2);// (twice biggest cell radius (in case to cells tha maximum size encounter each other) times kMaxRelativeAdhesionDistance + 0.1 to avoid mismatch because of numerical errors)**2 - - -// ───────────────────────────── -// CAR-T Cell Hyperparameters -// ───────────────────────────── + +/** @brief Time until an apoptotic cell is removed from simulation (minutes) */ +constexpr real_t kTimeApoptosis = 8.6*60; + +/** @brief Reduction factor for consumption rate of dead cells entering necrosis */ +constexpr real_t kReductionConsumptionDeadCells= 0.1; + +/** @} */ // end of Apoptosis Parameters group + + + +/** @name Chemical Diffusion Parameters + * @brief Parameters for substance diffusion and chemical environment + * @{ + */ + +/** @brief Number of voxels per axis in diffusion grid */ +constexpr int kResolutionGridSubstances = 50; + +/** @brief Volume of each voxel in the diffusion grid + * @warning Do not modify this line + */ +constexpr real_t kVoxelVolume = (kBoundedSpaceLength / kResolutionGridSubstances)*(kBoundedSpaceLength / kResolutionGridSubstances)*(kBoundedSpaceLength/ kResolutionGridSubstances); + +/** @name Oxygen Parameters + * @brief Parameters specific to oxygen diffusion and behavior + * @{ + */ + +/** @brief Oxygen diffusion coefficient (micrometers²/minute) */ +constexpr real_t kDiffusionCoefficientOxygen = 100000; + +/** @brief Oxygen decay constant (minutes⁻¹) */ +constexpr real_t kDecayConstantOxygen = 0.1; + +/** @brief Time step for oxygen diffusion calculations (minutes) */ +constexpr real_t kTimeStepOxygen = 0.0005; + +/** @brief Reference oxygen level at simulation boundaries (mmHg) */ +constexpr real_t kOxygenReferenceLevel = 38.; + +/** @brief Initial oxygen concentration in all voxels (mmHg) */ +constexpr real_t kInitialOxygenLevel = 38.0; + +/** @brief Oxygen saturation level in microenvironment (mmHg) */ +constexpr real_t kOxygenSaturation = 30.0; + +/** @} */ // end of Oxygen Parameters group + +/** @name Immunostimulatory Factor Parameters + * @brief Parameters specific to immunostimulatory factor diffusion + * @{ + */ + +/** @brief Immunostimulatory factor diffusion coefficient (micrometers²/minute) */ +constexpr real_t kDiffusionCoefficientImmunostimulatoryFactor = 1000; + +/** @brief Immunostimulatory factor decay constant (minutes⁻¹) */ +constexpr real_t kDecayConstantImmunostimulatoryFactor = 0.016; + +/** @brief Time step for immunostimulatory factor diffusion calculations (minutes) */ +constexpr real_t kTimeStepImmunostimulatoryFactor = 0.01; + +/** @} */ // end of Immunostimulatory Factor Parameters group +/** @} */ // end of Chemical Diffusion Parameters group +/** @name Mechanical Forces Parameters + * @brief Parameters controlling cell-cell interaction forces + * @{ + */ + +/** @name Repulsion Forces + * @brief Repulsion coefficients between different cell types + * @{ + */ + +/** @brief Repulsion coefficient between tumor cells */ +constexpr real_t kRepulsionTumorTumor = 10.0; + +/** @brief Repulsion coefficient between CAR-T cells */ +constexpr real_t kRepulsionCartCart = 50.0; + +/** @brief Repulsion coefficient from CAR-T cells to tumor cells */ +constexpr real_t kRepulsionCartTumor = 50.0; + +/** @brief Repulsion coefficient from tumor cells to CAR-T cells */ +constexpr real_t kRepulsionTumorCart = 10.0; + +/** @} */ // end of Repulsion Forces group + +/** @name Adhesion Forces + * @brief Adhesion coefficients and distance parameters + * @{ + */ + +/** @brief Maximum relative adhesion distance for cell interactions */ +constexpr real_t kMaxRelativeAdhesionDistance =1.25; + +/** @brief Adhesion coefficient between tumor cells */ +constexpr real_t kAdhesionTumorTumor = 0.4; + +/** @brief Adhesion coefficient between CAR-T cells */ +constexpr real_t kAdhesionCartCart = 0.0; + +/** @brief Adhesion coefficient from CAR-T cells to tumor cells */ +constexpr real_t kAdhesionCartTumor = 0.0; + +/** @brief Adhesion coefficient from tumor cells to CAR-T cells */ +constexpr real_t kAdhesionTumorCart = 0.0; + +/** @} */ // end of Adhesion Forces group +/** @} */ // end of Mechanical Forces Parameters group + +/** @name Computational Parameters + * @brief Internal computational parameters and constants + * @{ + */ + +/** @name Adams-Bashforth Coefficients + * @brief Coefficients for two-step Adams-Bashforth time derivative approximation + * + * Position update formula: position(t + dt) ≈ position(t) + dt * [1.5 * velocity(t) - 0.5 * velocity(t - dt)] + * @warning Do not change these values + * @{ + */ + +/** @brief Coefficient for current velocity term (dt × 1.5) */ +constexpr real_t kDnew= 1.5*kDtMechanics; + +/** @brief Coefficient for previous velocity term (dt × -0.5) */ +constexpr real_t kDold = -0.5*kDtMechanics; + +/** @} */ // end of Adams-Bashforth Coefficients group + +/** @brief Length of the mechanics box (micrometers) + * @warning Do not change this line + */ +const real_t kLengthBoxMechanics =22; + +/** @brief Maximum squared distance for considering cells as neighbors in force calculations (μm²) + * + * Calculated as: (0.1 + cell_radius × kMaxRelativeAdhesionDistance)² + * Includes 0.1 μm buffer to avoid numerical errors + * @warning Do not change this line + */ +const real_t kSquaredMaxDistanceNeighborsForce = std::pow(0.1+ std::cbrt(kDefaultVolumeNewTumorCell * 6 / Math::kPi) * kMaxRelativeAdhesionDistance,2); + +/** @} */ // end of Computational Parameters group +/** @} */ // end of General Simulation Hyperparameters group + + +/** @name CAR-T Cell Hyperparameters + * @brief Parameters controlling CAR-T cell behavior and properties + * @{ + */ + +/** @brief Average maximum time until apoptosis for CAR-T cells (minutes) */ constexpr real_t kAverageMaximumTimeUntillApoptosisCart= kDtCycle* 10.0 * 24.0 * 60.0; -//Volume parameters -constexpr real_t kDefaultVolumeNewCartCell = 2494.0; // Default total volume of a new CAR-T cell in μm³ -constexpr real_t kDefaultVolumeNucleusCartCell = 540.0; // Default volume of the nucleus of a new CAR-T cell in μm³ -constexpr real_t kDefaultFractionFluidCartCell = 0.75; // Default fraction of fluid volume in a new CAR-T cell - - -// ───────────────────────────── -// CAR-T Cell Hyperparameters -// ───────────────────────────── - - -// //////////////////////////////////////////////////////old -// constexpr real_t kDiameterCartCell = 10.0; // Diameter in μm -// constexpr real_t kVolumeGrowthCartCell = 800.0; // Volume increment per step in μm³ -// constexpr real_t kBaseProbabilityDivideCartCell = 0.05; // Probability of cell division per step -// constexpr int kTimeApoptosisInducedCart = 30; // Time until apoptosis-induced cell dies in steps -// constexpr int kTimeDeadCart = 40; // Time until dead cell is removed in steps -// constexpr real_t kTimeLastDivisionCartCell = 250; // Time until the cell can divide again after division in steps -// constexpr real_t kTimeKillTrialCart = 100; // Time until the cell can perform a kill trial again in steps -// constexpr real_t kMaxSpeedCartCell = 5.0; // Random displacement motility scale in μm -// constexpr real_t kCartCellDensity = 1.0; // Initial mass of a new tumor cell -// constexpr real_t kAverageLifeTimeCartCell = 500; // Average life time of a CAR-T cell in steps -// constexpr real_t kStandardDeviationLifeTimeCartCell = 20; // Standard deviation of the life time of a CAR-T cell in steps -// constexpr real_t kThresholdHighSuppression = 0.5; // Threshold for CAR-T cell tu be considered under high suppression -// constexpr real_t kThresholdStepsUnderHighSuppression = 10; // Minimum amount of steps a CAR-T cell has to be under high suppression for exhaustion to be increased -// constexpr real_t kThresholdOxygenLevelSuppression = 0.2; // Threshold for hypoxia in CAR-T cells -// constexpr real_t kThresholdNutrientsLevelSuppression = 0.05; // Threshold for low nutrients in CAR-T cells -// inline std::vector, float>> kRecognizedAntigensCart = {// -// { -// {// Antigen recognition this type of for CAR-T cells; -// {"HER2", true}, -// {"MUC1", false}, -// {"EpCAM", false}, -// }, -// 0.6f //proportion of cells that with the previous pattern of antigen recognition -// }, -// { -// { -// {"HER2", false}, -// {"MUC1", false}, -// {"EpCAM", true}, -// }, -// 0.4f//40% of cells recognize only EpCAM antigen -// },//the proportions need to add up to 1.0 -// }; +/** @name CAR-T Cell Volume Parameters + * @brief Default volume parameters for CAR-T cells + * @{ + */ + +/** @brief Default total volume of a new CAR-T cell (μm³) */ +constexpr real_t kDefaultVolumeNewCartCell = 2494.0; + +/** @brief Default volume of the nucleus of a new CAR-T cell (μm³) */ +constexpr real_t kDefaultVolumeNucleusCartCell = 540.0; + +/** @brief Default fraction of fluid volume in a new CAR-T cell */ +constexpr real_t kDefaultFractionFluidCartCell = 0.75; + +/** @} */ // end of CAR-T Cell Volume Parameters group +/** @} */ // end of CAR-T Cell Hyperparameters group } // namespace bdm diff --git a/src/tumor_cell.cc b/src/tumor_cell.cc index 0a7b770..3f76e9f 100644 --- a/src/tumor_cell.cc +++ b/src/tumor_cell.cc @@ -1,20 +1,22 @@ -// ----------------------------------------------------------------------------- -// Copyright (C) 2025 Salvador de la Torre Gonzalez -// Co-author: Luciana Melina Luque -// -// Licensed under the Apache License, Version 2.0 (the "License"); -// you may not use this file except in compliance with the License. -// You may obtain a copy of the License at -// -// http://www.apache.org/licenses/LICENSE-2.0 -// -// Unless required by applicable law or agreed to in writing, software -// distributed under the License is distributed on an "AS IS" BASIS, -// WITHOUT WARRANTIES OR CONDITIONS OF ANY KIND, either express or implied. -// See the License for the specific language governing permissions and -// limitations under the License. -// ----------------------------------------------------------------------------- - +/* + * Copyright 2025 compiler-research.org, Salvador de la Torre Gonzalez, Luciana Melina Luque + * + * Licensed under the Apache License, Version 2.0 (the "License"); + * you may not use this file except in compliance with the License. + * You may obtain a copy of the License at + * + * http://www.apache.org/licenses/LICENSE-2.0 + * SPDX-License-Identifier: Apache-2.0 + * + * Unless required by applicable law or agreed to in writing, software + * distributed under the License is distributed on an "AS IS" BASIS, + * WITHOUT WARRANTIES OR CONDITIONS OF ANY KIND, either express or implied. + * See the License for the specific language governing permissions and + * limitations under the License. + * + * This file contains a model developed under Google Summer of Code (GSoC) + * for the compiler-research.org organization. + */ #include "tumor_cell.h" namespace bdm { @@ -25,28 +27,28 @@ TumorCell::TumorCell(const Real3& position) { timer_state_ = 0; // Initial timer_state //volumes - this->SetVolume(kDefaultVolumeNewTumorCell); // Set default volume - this->SetFluidFraction(kDefaultFractionFluidTumorCell); // Set default fluid fraction - this->SetNuclearVolume(kDefaultVolumeNucleusTumorCell); // Set default nuclear volume + SetVolume(kDefaultVolumeNewTumorCell); // Set default volume + SetFluidFraction(kDefaultFractionFluidTumorCell); // Set default fluid fraction + SetNuclearVolume(kDefaultVolumeNucleusTumorCell); // Set default nuclear volume //target volumes - this->SetTargetFractionFluid(kDefaultFractionFluidTumorCell); // Set target fraction of fluid - this->SetTargetRelationCytoplasmNucleus((kDefaultVolumeNewTumorCell - kDefaultVolumeNucleusTumorCell) / ( 1e-16 + kDefaultVolumeNucleusTumorCell)); // Set target relation between cytoplasm and nucleus - this->SetTargetNucleusSolid(kDefaultVolumeNucleusTumorCell*(1-kDefaultFractionFluidTumorCell)); // Set target nucleus solid volume to real_t - this->SetTargetCytoplasmSolid((kDefaultVolumeNewTumorCell - kDefaultVolumeNucleusTumorCell) * (1 - kDefaultFractionFluidTumorCell)); // Set target cytoplasm solid volume to real_t + SetTargetFractionFluid(kDefaultFractionFluidTumorCell); // Set target fraction of fluid + SetTargetRelationCytoplasmNucleus((kDefaultVolumeNewTumorCell - kDefaultVolumeNucleusTumorCell) / ( 1e-16 + kDefaultVolumeNucleusTumorCell)); // Set target relation between cytoplasm and nucleus + SetTargetNucleusSolid(kDefaultVolumeNucleusTumorCell*(1-kDefaultFractionFluidTumorCell)); // Set target nucleus solid volume to real_t + SetTargetCytoplasmSolid((kDefaultVolumeNewTumorCell - kDefaultVolumeNucleusTumorCell) * (1 - kDefaultFractionFluidTumorCell)); // Set target cytoplasm solid volume to real_t - this->SetOncoproteineLevel(SamplePositiveGaussian(kOncoproteinMean,kOncoproteinStandardDeviation)); // Set initial oncoproteine level with a truncated normal distribution - // this->SetOncoproteineLevel(1.); //Debug - this->oxygen_dgrid_ = Simulation::GetActive()->GetResourceManager()->GetDiffusionGrid("oxygen"); // Pointer to oxygen diffusion grid - this->immunostimulatory_factor_dgrid_ = Simulation::GetActive()->GetResourceManager()->GetDiffusionGrid("immunostimulatory_factor"); // Pointer to immunostimulatory_factor diffusion grid - this->SetTransformationRandomRate(); // Set state transition random rate - this->attached_to_cart_ = false; // Initially not attached to a cart + SetOncoproteineLevel(SamplePositiveGaussian(kOncoproteinMean,kOncoproteinStandardDeviation)); // Set initial oncoproteine level with a truncated normal distribution + // SetOncoproteineLevel(1.); //Debug + oxygen_dgrid_ = Simulation::GetActive()->GetResourceManager()->GetDiffusionGrid("oxygen"); // Pointer to oxygen diffusion grid + immunostimulatory_factor_dgrid_ = Simulation::GetActive()->GetResourceManager()->GetDiffusionGrid("immunostimulatory_factor"); // Pointer to immunostimulatory_factor diffusion grid + SetTransformationRandomRate(); // Set state transition random rate + attached_to_cart_ = false; // Initially not attached to a cart - this->older_velocity_ = {0, 0, 0}; // Initialize the velocity of the cell in the previous step to zero + older_velocity_ = {0, 0, 0}; // Initialize the velocity of the cell in the previous step to zero //Add Consumption and Secretion - this->SetOxygenConsumptionRate(kDefaultOxygenConsumption); // Set default oxygen consumption rate - this->SetImmunostimulatoryFactorSecretionRate(kRateSecretionImmunostimulatoryFactor); // Set default immunostimulatory factor secretion rate - this->ComputeConstantsConsumptionSecretion(); // Compute constants for all ConsumptionSecretion of Oxygen and Immunostimulatory Factors + SetOxygenConsumptionRate(kDefaultOxygenConsumption); // Set default oxygen consumption rate + SetImmunostimulatoryFactorSecretionRate(kRateSecretionImmunostimulatoryFactor); // Set default immunostimulatory factor secretion rate + ComputeConstantsConsumptionSecretion(); // Compute constants for all ConsumptionSecretion of Oxygen and Immunostimulatory Factors } @@ -107,11 +109,12 @@ void TumorCell::SetOncoproteineLevel(real_t level) { } void TumorCell::SetTransformationRandomRate() { - transformation_random_rate_ = 1/(std::max(SamplePositiveGaussian(38.6,3.7)*60., 1e-16));// avoid division by zero + // avoid division by zero + transformation_random_rate_ = 1/(std::max(SamplePositiveGaussian(38.6,3.7)*60., 1e-16)); } real_t TumorCell::GetTargetTotalVolume() { - return this->GetTargetNucleusSolid() * (1 + GetTargetRelationCytoplasmNucleus()) / (1 - GetTargetFractionFluid()); + return GetTargetNucleusSolid() * (1 + GetTargetRelationCytoplasmNucleus()) / (1 - GetTargetFractionFluid()); } // This method explicitly solves the system of exponential relaxation differential equation using a discrete @@ -119,9 +122,9 @@ real_t TumorCell::GetTargetTotalVolume() { // volume over time. The relaxations rate controls the speed of convergence void TumorCell::ChangeVolumeExponentialRelaxationEquation(real_t relaxation_rate_cytoplasm, real_t relaxation_rate_nucleus, real_t relaxation_rate_fluid) { // Exponential relaxation towards the target volume - real_t current_total_volume = this->GetVolume(); - real_t fluid_fraction= this->GetFluidFraction(); - real_t nuclear_volume = this->GetNuclearVolume(); + real_t current_total_volume = GetVolume(); + real_t fluid_fraction= GetFluidFraction(); + real_t nuclear_volume = GetNuclearVolume(); real_t current_nuclear_solid = nuclear_volume * (1 - fluid_fraction); real_t current_cytoplasm_solid = (current_total_volume - nuclear_volume) * (1-fluid_fraction); @@ -134,18 +137,22 @@ void TumorCell::ChangeVolumeExponentialRelaxationEquation(real_t relaxation_rate real_t current_fluid = fluid_fraction * current_total_volume; - real_t new_fluid = current_fluid + kDtCycle* relaxation_rate_fluid * (this->GetTargetFractionFluid() * current_total_volume - current_fluid); // Update fluid volume - if (new_fluid < 0.0) { new_fluid = 0.0; }// Clamp to zero to prevent negative volumes + // Update fluid volume + real_t new_fluid = current_fluid + kDtCycle* relaxation_rate_fluid * (GetTargetFractionFluid() * current_total_volume - current_fluid); + // Clamp to zero to prevent negative volumes + if (new_fluid < 0.0) { new_fluid = 0.0; } real_t nuclear_fluid = new_fluid* ( nuclear_volume/ current_total_volume); // real_t cytoplasm_fluid = new_fluid - nuclear_fluid; - real_t nuclear_solid = current_nuclear_solid + kDtCycle * relaxation_rate_nucleus * (this->GetTargetNucleusSolid() - current_nuclear_solid); - if (nuclear_solid < 0.0) { nuclear_solid = 0.0; } // Clamp to zero to prevent negative volumes + real_t nuclear_solid = current_nuclear_solid + kDtCycle * relaxation_rate_nucleus * (GetTargetNucleusSolid() - current_nuclear_solid); + // Clamp to zero to prevent negative volumes + if (nuclear_solid < 0.0) { nuclear_solid = 0.0; } - real_t target_cytoplasm_solid = this->GetTargetRelationCytoplasmNucleus() * this->GetTargetNucleusSolid(); + real_t target_cytoplasm_solid = GetTargetRelationCytoplasmNucleus() * GetTargetNucleusSolid(); real_t cytoplasm_solid = current_cytoplasm_solid + kDtCycle * relaxation_rate_cytoplasm * (target_cytoplasm_solid - current_cytoplasm_solid); - if (cytoplasm_solid < 0.0) { cytoplasm_solid = 0.0; } // Clamp to zero to prevent negative volumes + // Clamp to zero to prevent negative volumes + if (cytoplasm_solid < 0.0) { cytoplasm_solid = 0.0; } real_t new_total_solid= nuclear_solid + cytoplasm_solid; @@ -155,7 +162,8 @@ void TumorCell::ChangeVolumeExponentialRelaxationEquation(real_t relaxation_rate real_t new_volume = new_total_solid + new_fluid; - real_t new_fraction_fluid = new_fluid / (1e-16 + new_volume); // Avoid division by zero + // Avoid division by zero + real_t new_fraction_fluid = new_fluid / (1e-16 + new_volume); //Debug Debug Output params // std::ofstream file("output/volumes.csv", std::ios::app); @@ -176,12 +184,14 @@ void TumorCell::ChangeVolumeExponentialRelaxationEquation(real_t relaxation_rate // End Debug Output // Update the cell's properties - if (new_volume!= current_total_volume){//if the volume has changed - this->SetVolume(new_volume); - this->ComputeConstantsConsumptionSecretion(); // Update constants for all ConsumptionSecretion of Oxygen and Immunostimulatory Factors + // if the volume has changed + if (new_volume!= current_total_volume){ + SetVolume(new_volume); + // Update constants for all ConsumptionSecretion of Oxygen and Immunostimulatory Factors + ComputeConstantsConsumptionSecretion(); } - this->SetFluidFraction(new_fraction_fluid); - this->SetNuclearVolume(total_nuclear); + SetFluidFraction(new_fraction_fluid); + SetNuclearVolume(total_nuclear); } //compute Displacement @@ -189,7 +199,8 @@ Real3 TumorCell::CalculateDisplacement(const InteractionForce* force, real_t squared_radius, real_t dt) { Real3 movement_at_next_step{0, 0, 0}; - squared_radius=kSquaredMaxDistanceNeighborsForce;//this should be chaged in a future version of BioDynaMo in order to have a cleaner code instead of hardcoding it here + // this should be chaged in a future version of BioDynaMo in order to have a cleaner code instead of hardcoding it here + squared_radius=kSquaredMaxDistanceNeighborsForce; Real3 translation_velocity_on_point_mass{0, 0, 0}; @@ -223,7 +234,8 @@ Real3 TumorCell::CalculateDisplacement(const InteractionForce* force, older_velocity_ = translation_velocity_on_point_mass; - return movement_at_next_step;//Displacement + // Displacement + return movement_at_next_step; } //Compute new oxygen or immunostimulatory factor concentration after consumption/ secretion @@ -232,9 +244,11 @@ real_t TumorCell::ConsumeSecreteSubstance(int substance_id, real_t old_concentra // constant2_oxygen_ = 1.3; // Debug real_t res; if (substance_id == oxygen_dgrid_->GetContinuumId()) { - res= (old_concentration + constant1_oxygen_) / constant2_oxygen_;// consuming oxygen + // consuming oxygen + res= (old_concentration + constant1_oxygen_) / constant2_oxygen_; } else if (substance_id == immunostimulatory_factor_dgrid_->GetContinuumId()) { - res= (old_concentration + constant1_immunostimulatory_factor_) / constant2_immunostimulatory_factor_;// secreting immunostimulatory factor + // secreting immunostimulatory factor + res= (old_concentration + constant1_immunostimulatory_factor_) / constant2_immunostimulatory_factor_; } else { throw std::invalid_argument("Unknown substance id: " + std::to_string(substance_id)); } @@ -252,14 +266,17 @@ void TumorCell::ComputeConstantsConsumptionSecretion() { // V_voxel = volume of the voxel containing the cell // dt = simulation time step - real_t new_volume = this->GetVolume(); + real_t new_volume = GetVolume(); //compute the constants for the differential equation explicit solution: for oxygen and immunostimulatory factor //dt*(cell_volume/voxel_volume)*quantity_secretion*substance_saturation = dt · (V_k / V_voxel) · S_k · ρ*_k) constant1_oxygen_ = 0.; - constant1_immunostimulatory_factor_ = immunostimulatory_factor_secretion_rate_ * kSaturationDensityImmunostimulatoryFactor * kDtSubstances * (new_volume / kVoxelVolume);// Scale by the volume of the cell in the Voxel and time step + // Scale by the volume of the cell in the Voxel and time step + constant1_immunostimulatory_factor_ = immunostimulatory_factor_secretion_rate_ * kSaturationDensityImmunostimulatoryFactor * kDtSubstances * (new_volume / kVoxelVolume); //1 + dt*(cell_volume/voxel_volume)*(quantity_secretion + quantity_consumption ) = [1 + dt · (V_k / V_voxel) · (S_k + U_k)] - constant2_oxygen_ = 1 + kDtSubstances * (new_volume/ kVoxelVolume) * (oxygen_consumption_rate_);// Scale by the volume of the cell in the Voxel and time step - constant2_immunostimulatory_factor_ = 1 + kDtSubstances * (new_volume/ kVoxelVolume) * (immunostimulatory_factor_secretion_rate_);// Scale by the volume of the cell in the Voxel and time step + // Scale by the volume of the cell in the Voxel and time step + constant2_oxygen_ = 1 + kDtSubstances * (new_volume/ kVoxelVolume) * (oxygen_consumption_rate_); + // Scale by the volume of the cell in the Voxel and time step + constant2_immunostimulatory_factor_ = 1 + kDtSubstances * (new_volume/ kVoxelVolume) * (immunostimulatory_factor_secretion_rate_); } /// Main behavior executed at each simulation step @@ -304,7 +321,7 @@ void StateControlGrowProliferate::Run(Agent* agent) { cell->SetTimerState(cell->GetTimerState() + kDtCycle); // Increase timer_state to track time in this state (kDtCycle minutes per step) - if (this->ShouldEnterNecrosis(oxygen_level, cell)) { // Enter necrosis if oxygen level is too low + if (ShouldEnterNecrosis(oxygen_level, cell)) { // Enter necrosis if oxygen level is too low return; // Exit the function to prevent further processing } @@ -326,14 +343,14 @@ void StateControlGrowProliferate::Run(Agent* agent) { final_rate_transition= cell->GetTransformationRandomRate() * multiplier * cell->GetOncoproteineLevel(); // Calculate the rate of state change based on oxygen level and oncoproteine (min^-1) //Debug - int current_time = sim->GetScheduler()->GetSimulatedSteps()* kDt; // Get the current time step in minutes - std::ofstream file("output/simulation_data_mine" + std::to_string(current_time/(12*60)) + ".csv", std::ios::app); - if (file.is_open()) { - file << oxygen_level << "," - << cell->GetOncoproteineLevel() << "," - <GetTransformationRandomRate()<< "," - << final_rate_transition << "\n"; - } + // int current_time = sim->GetScheduler()->GetSimulatedSteps()* kDt; // Get the current time step in minutes + // std::ofstream file("output/simulation_data_mine" + std::to_string(current_time/(12*60)) + ".csv", std::ios::app); + // if (file.is_open()) { + // file << oxygen_level << "," + // << cell->GetOncoproteineLevel() << "," + // <GetTransformationRandomRate()<< "," + // << final_rate_transition << "\n"; + // } //End Debug //Debug Debug Output params @@ -381,9 +398,10 @@ void StateControlGrowProliferate::Run(Agent* agent) { case TumorCellState::kNecroticSwelling:{//the cell is swelling before lysing cell->SetTimerState(cell->GetTimerState() + kDtCycle); // Increase timer_state to track time in this state (kDtCycle minutes per step) //volume change + // The cell swells cell->ChangeVolumeExponentialRelaxationEquation(kVolumeRelaxarionRateCytoplasmNecroticSwelling, kVolumeRelaxarionRateNucleusNecroticSwelling, - kVolumeRelaxarionRateFluidNecroticSwelling);// The cell swells + kVolumeRelaxarionRateFluidNecroticSwelling); if (cell->GetVolume() >= 2*kDefaultVolumeNewTumorCell) { // If the cell has swollen to 2 times its original volume, it lyses cell->SetState(TumorCellState::kNecroticLysed); // Change state to necrotic lysed cell->SetTimerState(0); // Reset timer_state @@ -393,18 +411,22 @@ void StateControlGrowProliferate::Run(Agent* agent) { cell->SetTargetFractionFluid(0.0); cell->SetTargetRelationCytoplasmNucleus(0.0); // Stop secretion and consumption rate - cell->SetOxygenConsumptionRate(0.0);//Stop consumption - cell->SetImmunostimulatoryFactorSecretionRate(0.0);//Stop secretion - cell->ComputeConstantsConsumptionSecretion(); // Update constants for all ConsumptionSecretion of Oxygen and Immunostimulatory Factors + // Stop consumption + cell->SetOxygenConsumptionRate(0.0); + // Stop secretion + cell->SetImmunostimulatoryFactorSecretionRate(0.0); + // Update constants for all ConsumptionSecretion of Oxygen and Immunostimulatory Factors + cell->ComputeConstantsConsumptionSecretion(); } break; } case TumorCellState::kNecroticLysed:{//the cell is shirinking and will be removed after a certain time cell->SetTimerState(cell->GetTimerState() + kDtCycle); // Increase timer_state to track time in this state (kDtCycle minutes per step) //volume change + // The cell shrinks cell->ChangeVolumeExponentialRelaxationEquation(kVolumeRelaxarionRateCytoplasmNecroticLysed, kVolumeRelaxarionRateNucleusNecroticLysed, - kVolumeRelaxarionRateFluidNecroticLysed);// The cell shrinks + kVolumeRelaxarionRateFluidNecroticLysed); if (kTimeLysis < cell->GetTimerState()) { // If the timer_state exceeds the time to transition (this is a fixed duration transition) //remove the cell from the simulation auto* ctxt = sim->GetExecutionContext(); @@ -423,9 +445,10 @@ void StateControlGrowProliferate::Run(Agent* agent) { cell->SetTimerState(cell->GetTimerState() + kDtCycle); // Increase timer_state to track time in this state (kDtCycle minutes per step) //volume change CHANGe check if it should indeed be reduced to 0 + // The cell shrinks cell->ChangeVolumeExponentialRelaxationEquation(kVolumeRelaxarionRateCytoplasmApoptotic, kVolumeRelaxarionRateNucleusApoptotic, - kVolumeRelaxarionRateFluidApoptotic);// The cell shrinks + kVolumeRelaxarionRateFluidApoptotic); if (kTimeApoptosis < cell->GetTimerState()) { // If the timer_state exceeds the time to transition (this is a fixed duration transition) //remove the cell from the simulation auto* ctxt = sim->GetExecutionContext(); @@ -466,9 +489,12 @@ bool StateControlGrowProliferate::ShouldEnterNecrosis(real_t oxygen_level,TumorC cell->SetTimerState(0); // Reset timer_state //Stop Secretion and reduce consumption - cell->SetImmunostimulatoryFactorSecretionRate(0.0);//Stop secretion - cell->SetOxygenConsumptionRate(cell->GetOxygenConsumptionRate()*kReductionConsumptionDeadCells);//Reduce consumption - cell->ComputeConstantsConsumptionSecretion(); // Update constants for all ConsumptionSecretion of Oxygen and Immunostimulatory Factors + // Stop secretion + cell->SetImmunostimulatoryFactorSecretionRate(0.0); + // Reduce consumption + cell->SetOxygenConsumptionRate(cell->GetOxygenConsumptionRate()*kReductionConsumptionDeadCells); + // Update constants for all ConsumptionSecretion of Oxygen and Immunostimulatory Factors + cell->ComputeConstantsConsumptionSecretion(); // The cell will swell getting filled with fluid cell->SetTargetCytoplasmSolid(0); diff --git a/src/tumor_cell.h b/src/tumor_cell.h index c680320..d0de685 100644 --- a/src/tumor_cell.h +++ b/src/tumor_cell.h @@ -1,19 +1,22 @@ -// ----------------------------------------------------------------------------- -// Copyright (C) 2025 Salvador de la Torre Gonzalez -// Co-author: Luciana Melina Luque -// -// Licensed under the Apache License, Version 2.0 (the "License"); -// you may not use this file except in compliance with the License. -// You may obtain a copy of the License at -// -// http://www.apache.org/licenses/LICENSE-2.0 -// -// Unless required by applicable law or agreed to in writing, software -// distributed under the License is distributed on an "AS IS" BASIS, -// WITHOUT WARRANTIES OR CONDITIONS OF ANY KIND, either express or implied. -// See the License for the specific language governing permissions and -// limitations under the License. -// ----------------------------------------------------------------------------- +/* + * Copyright 2025 compiler-research.org, Salvador de la Torre Gonzalez, Luciana Melina Luque + * + * Licensed under the Apache License, Version 2.0 (the "License"); + * you may not use this file except in compliance with the License. + * You may obtain a copy of the License at + * + * http://www.apache.org/licenses/LICENSE-2.0 + * SPDX-License-Identifier: Apache-2.0 + * + * Unless required by applicable law or agreed to in writing, software + * distributed under the License is distributed on an "AS IS" BASIS, + * WITHOUT WARRANTIES OR CONDITIONS OF ANY KIND, either express or implied. + * See the License for the specific language governing permissions and + * limitations under the License. + * + * This file contains a model developed under Google Summer of Code (GSoC) + * for the compiler-research.org organization. + */ #ifndef TUMOR_CELL_H_ #define TUMOR_CELL_H_ @@ -26,145 +29,471 @@ namespace bdm { -// ───────────────────────────── -// TumorCellState Enum Definition -// ───────────────────────────── -/// Enum representing the different states of a tumor cell including the different proliferation phases of the protein Ki67 expression +/** + * @brief Enumeration representing the different states of a tumor cell + * + * This enum class defines the various states a tumor cell can be in during its lifecycle, + * including different proliferation phases based on Ki67 protein expression and various + * death pathways (necrosis and apoptosis). + */ enum class TumorCellState : int { - // growing schedule of a living cell + /** @brief Living cell state - cell is alive and can potentially proliferate */ kAlive=0, - // Death schedule of a necrotic cell: death by necrosis - kNecroticSwelling = 1, // Necrotic swelling phase (the cell loses membrane integrity and starts absorbing fluid, swelling abnormally in volume before rupture) - kNecroticLysed = 2, // Necrotic lysed phase (the cell membrane breaks apart, releasing its contents; the cell is now considered dead and will be removed from the simulation after a defined time) + /** @brief Necrotic swelling phase + * + * The cell loses membrane integrity and starts absorbing fluid, swelling abnormally + * in volume before rupture. This is the first phase of necrotic cell death. + */ + kNecroticSwelling = 1, + + /** @brief Necrotic lysed phase + * + * The cell membrane breaks apart, releasing its contents. The cell is now considered + * dead and will be removed from the simulation after a defined time. + */ + kNecroticLysed = 2, - // Apoptotic schedule of a apoptotic cell: controled death - kApoptotic=3 // Apoptotic phase (the cell is undergoing programmed cell death characterized by cell shrinkage) + /** @brief Apoptotic phase + * + * The cell is undergoing programmed cell death characterized by cell shrinkage. + * This is a controlled form of cell death. + */ + kApoptotic=3 }; -// ───────────────────────────── -// TumorCell Class Definition -// ───────────────────────────── +/** + * @brief Tumor cell class implementation + * + * This class represents a tumor cell in the simulation with capabilities for: + * - Different cellular states (alive, necrotic, apoptotic) + * - Volume dynamics with exponential relaxation + * - Oxygen consumption and immunostimulatory factor secretion + * - Oncoprotein expression levels + * - Interactions with CAR-T cells + */ class TumorCell : public Cell { BDM_AGENT_HEADER(TumorCell, Cell, 1); public: + /** @brief Default constructor */ TumorCell() {} + + /** @brief Constructor with position parameter + * @param position Initial 3D position of the cell + */ explicit TumorCell(const Real3& position); + + /** @brief Virtual destructor */ virtual ~TumorCell() {} - /// Called when a new agent is created (e.g., after cell division) + /** @brief Called when a new agent is created (e.g., after cell division) + * @param event The new agent event containing initialization data + */ void Initialize(const NewAgentEvent& event) override; - //Getters and Setters + /** @name State Management + * @brief Methods for managing tumor cell state + * @{ + */ + + /** @brief Set the current state of the tumor cell + * @param state The new state to set + */ void SetState(TumorCellState state) { state_ = state; } + + /** @brief Get the current state of the tumor cell + * @return The current cell state + */ TumorCellState GetState() const { return state_; } + /** @brief Set the timer for tracking time in current state + * @param timer_state Timer value in minutes + */ void SetTimerState(int timer_state) { timer_state_ = timer_state; } + + /** @brief Get the timer for tracking time in current state + * @return Timer value in minutes + */ int GetTimerState() const { return timer_state_; } - void SetOncoproteineLevel(real_t level); - real_t GetOncoproteineLevel() const { return oncoproteine_level_; } + /** @} */ // end of State Management group + + /** @name Oncoprotein Management + * @brief Methods for managing oncoprotein expression levels + * @{ + */ + /** @brief Set the oncoprotein expression level + * @param level The oncoprotein level to set + */ + void SetOncoproteineLevel(real_t level); + + /** @brief Get the oncoprotein expression level + * @return The current oncoprotein level + */ + real_t GetOncoproteineLevel() const { return oncoproteine_level_; } + + /** @} */ // end of Oncoprotein Management group + + /** @name Volume and Physical Properties + * @brief Methods for managing cell volume and physical characteristics + * @{ + */ + + /** @brief Set the fluid fraction of the cell + * @param fluid_fraction The fluid fraction value + */ void SetFluidFraction(real_t fluid_fraction) { fluid_fraction_ = fluid_fraction; } + + /** @brief Get the fluid fraction of the cell + * @return The current fluid fraction + */ real_t GetFluidFraction() const { return fluid_fraction_; } + /** @brief Set the nuclear volume + * @param nuclear_volume The nuclear volume value + */ void SetNuclearVolume(real_t nuclear_volume) { nuclear_volume_ = nuclear_volume; } + + /** @brief Get the nuclear volume + * @return The current nuclear volume + */ real_t GetNuclearVolume() const { return nuclear_volume_; } + /** @brief Set the target cytoplasm solid volume + * @param target_cytoplasm_solid The target cytoplasm solid volume + */ void SetTargetCytoplasmSolid(real_t target_cytoplasm_solid) { target_cytoplasm_solid_ = target_cytoplasm_solid; } + + /** @brief Get the target cytoplasm solid volume + * @return The target cytoplasm solid volume + */ real_t GetTargetCytoplasmSolid() const { return target_cytoplasm_solid_; } + /** @brief Set the target nucleus solid volume + * @param target_nucleus_solid The target nucleus solid volume + */ void SetTargetNucleusSolid(real_t target_nucleus_solid) { target_nucleus_solid_ = target_nucleus_solid; } - real_t GetTargetNucleusSolid() const { return target_nucleus_solid_; } - + + /** @brief Get the target nucleus solid volume + * @return The target nucleus solid volume + */ + real_t GetTargetNucleusSolid() const { return target_nucleus_solid_; } + + /** @brief Set the target fraction of fluid + * @param target_fraction_fluid The target fluid fraction + */ void SetTargetFractionFluid(real_t target_fraction_fluid) { target_fraction_fluid_ = target_fraction_fluid; } - real_t GetTargetFractionFluid() const { return target_fraction_fluid_; } - + + /** @brief Get the target fraction of fluid + * @return The target fluid fraction + */ + real_t GetTargetFractionFluid() const { return target_fraction_fluid_; } + + /** @brief Set the target relation between cytoplasm and nucleus + * @param target_relation_cytoplasm_nucleus The target relation value + */ void SetTargetRelationCytoplasmNucleus(real_t target_relation_cytoplasm_nucleus) { target_relation_cytoplasm_nucleus_ = target_relation_cytoplasm_nucleus; } + + /** @brief Get the target relation between cytoplasm and nucleus + * @return The target relation value + */ real_t GetTargetRelationCytoplasmNucleus() const { return target_relation_cytoplasm_nucleus_; } + /** @} */ // end of Volume and Physical Properties group + + /** @name Transformation and Cell Type + * @brief Methods for managing transformation rates and cell types + * @{ + */ + + /** @brief Set the transformation random rate for state transitions + * + * This rate affects the probability of transitioning between states and + * depends on the individual cell. It remains constant during the cell's lifetime. + */ void SetTransformationRandomRate(); + + /** @brief Get the transformation random rate + * @return The current transformation random rate + */ real_t GetTransformationRandomRate() const { return transformation_random_rate_; } + /** @brief Set the cell type based on oncoprotein level + * @param type Cell type (1-4: 1 is most mutated/proliferative, 4 is least aggressive; 5 means dead) + */ + void SetType(int type) { type_ = type; } + + /** @brief Get the cell type + * @return The current cell type + */ + int GetType() const { return type_; } + + /** @name CAR-T Cell Interaction + * @brief Methods for managing attachment to CAR-T cells + * @{ + */ + + /** @brief Set whether the cell is attached to a CAR-T cell + * @param attached True if attached, false otherwise + */ void SetAttachedToCart(bool attached) { attached_to_cart_ = attached; } + + /** @brief Check if the cell is attached to a CAR-T cell + * @return True if attached to a CAR-T cell, false otherwise + */ bool IsAttachedToCart() const { return attached_to_cart_; } - void SetType(int type) { type_ = type; } - int GetType() const { return type_; } + /** @} */ // end of CAR-T Cell Interaction group + + /** @name Movement and Velocity + * @brief Methods for managing cell movement and velocity + * @{ + */ + /** @brief Get the velocity from the previous time step + * @return The velocity vector from the previous step + */ Real3 GetOlderVelocity() const { return older_velocity_; } + + /** @brief Set the velocity from the previous time step + * @param velocity The velocity vector to set + */ void SetOlderVelocity(const Real3& velocity) { older_velocity_ = velocity; } + /** @} */ // end of Movement and Velocity group + + /** @name Biochemical Properties + * @brief Methods for managing substance consumption and secretion + * @{ + */ + + /** @brief Get the oxygen consumption rate + * @return The current oxygen consumption rate + */ real_t GetOxygenConsumptionRate() const { return oxygen_consumption_rate_; } + + /** @brief Set the oxygen consumption rate + * @param rate The oxygen consumption rate to set + */ void SetOxygenConsumptionRate(real_t rate) { oxygen_consumption_rate_ = rate; } + /** @brief Get the immunostimulatory factor secretion rate + * @return The current immunostimulatory factor secretion rate + */ real_t GetImmunostimulatoryFactorSecretionRate() const { return immunostimulatory_factor_secretion_rate_; } + + /** @brief Set the immunostimulatory factor secretion rate + * @param rate The immunostimulatory factor secretion rate to set + */ void SetImmunostimulatoryFactorSecretionRate(real_t rate) { immunostimulatory_factor_secretion_rate_ = rate; } + /** @} */ // end of Biochemical Properties group + + /** @name Volume Calculations + * @brief Methods for volume calculations + * @{ + */ + + /** @brief Calculate the target total volume of the cell + * @return The target total volume + */ real_t GetTargetTotalVolume(); - /// Returns the diffusion grid for oxygen + /** @} */ // end of Volume Calculations group + + /** @name Diffusion Grids + * @brief Methods for accessing diffusion grids + * @{ + */ + + /** @brief Get the diffusion grid for oxygen + * @return Pointer to the oxygen diffusion grid + */ DiffusionGrid* GetOxygenDiffusionGrid() const { return oxygen_dgrid_; } - /// Returns the diffusion grid for immunostimulatory factors + + /** @brief Get the diffusion grid for immunostimulatory factors + * @return Pointer to the immunostimulatory factor diffusion grid + */ DiffusionGrid* GetImmunostimulatoryFactorDiffusionGrid() const { return immunostimulatory_factor_dgrid_; } - // This method explicitly solves the system of exponential relaxation differential equation using a discrete - // update step. It is used to grow or shrink the volume (and proportions) smoothly toward a desired target - // volume over time. The relaxations rate controls the speed of convergence and dt=1 (the time_step). + /** @} */ // end of Diffusion Grids group + + /** @name Core Simulation Methods + * @brief Core methods for cell simulation and behavior + * @{ + */ + + /** @brief Change volume using exponential relaxation equation + * + * This method explicitly solves the system of exponential relaxation differential + * equations using a discrete update step. It is used to grow or shrink the volume + * (and proportions) smoothly toward a desired target volume over time. The relaxation + * rate controls the speed of convergence and dt=1 (the time_step). + * + * @param relaxation_rate_cytoplasm Relaxation rate for cytoplasm volume changes + * @param relaxation_rate_nucleus Relaxation rate for nucleus volume changes + * @param relaxation_rate_fluid Relaxation rate for fluid volume changes + */ void ChangeVolumeExponentialRelaxationEquation(real_t relaxation_rate_cytoplasm, real_t relaxation_rate_nucleus, real_t relaxation_rate_fluid); - //compute Displacement + /** @brief Calculate displacement of the cell + * + * Computes the displacement of the cell based on interaction forces. + * + * @param force Pointer to the interaction force object + * @param squared_radius The squared radius of the cell + * @param dt The time step for the simulation + * @return The calculated displacement vector + */ Real3 CalculateDisplacement(const InteractionForce* force, real_t squared_radius, real_t dt) override; - //Compute new oxygen or immunostimulatory factor concentration after consumption/ secretion + /** @brief Consume or secrete substances + * + * Computes new oxygen or immunostimulatory factor concentration after + * consumption or secretion by the cell. + * + * @param substance_id The ID of the substance (oxygen or immunostimulatory factor) + * @param old_concentration The previous concentration of the substance + * @return The new concentration after consumption/secretion + */ real_t ConsumeSecreteSubstance(int substance_id, real_t old_concentration); - //constants after cell's change of volume or quantities + /** @brief Compute constants for consumption and secretion + * + * Updates constants after the cell's change of volume or quantities. + * These constants are used in the consumption/secretion differential equations. + */ void ComputeConstantsConsumptionSecretion(); - //Attributes + /** @} */ // end of Core Simulation Methods group + + /** @name Private Member Variables + * @brief Private attributes of the tumor cell + * @{ + */ private: - TumorCellState state_; // Current state of the tumor cell - int timer_state_;//timer to track time in the current state (in minutes) - DiffusionGrid* oxygen_dgrid_; // Pointer to the oxygen diffusion grid - DiffusionGrid* immunostimulatory_factor_dgrid_; // Pointer to the immunostimulatory_factor diffusion grid - real_t oncoproteine_level_;// Level of oncoproteine expression - real_t transformation_random_rate_; // Transition random rate between states. Affects the probability of transitioning and depends on the cell: it is kept constant during the cell's life - bool attached_to_cart_; // Flag to indicate if the cell is attached to a cart - //volumes + /** @brief Current state of the tumor cell */ + TumorCellState state_; + + /** @brief Timer to track time in the current state (in minutes) */ + int timer_state_; + + /** @brief Pointer to the oxygen diffusion grid */ + DiffusionGrid* oxygen_dgrid_; + + /** @brief Pointer to the immunostimulatory factor diffusion grid */ + DiffusionGrid* immunostimulatory_factor_dgrid_; + + /** @brief Level of oncoprotein expression */ + real_t oncoproteine_level_; + + /** @brief Transition random rate between states + * + * Affects the probability of transitioning and depends on the individual cell. + * This rate is kept constant during the cell's lifetime. + */ + real_t transformation_random_rate_; + + /** @brief Flag indicating if the cell is attached to a CAR-T cell */ + bool attached_to_cart_; + + /** @brief Fluid fraction of the cell volume */ real_t fluid_fraction_; - real_t nuclear_volume_; // Volume of the nucleus - // Target volume for growing (or shrinking) tumor cells. The change of volume follows a exponential relaxation equation with this target volume - real_t target_cytoplasm_solid_; + + /** @brief Volume of the nucleus */ + real_t nuclear_volume_; + + /** @brief Target cytoplasm solid volume for exponential relaxation + * + * Used for growing or shrinking tumor cells. The volume change follows + * an exponential relaxation equation toward this target volume. + */ + real_t target_cytoplasm_solid_; + + /** @brief Target nucleus solid volume for exponential relaxation */ real_t target_nucleus_solid_; + + /** @brief Target fluid fraction for exponential relaxation */ real_t target_fraction_fluid_; + + /** @brief Target relation between cytoplasm and nucleus volumes */ real_t target_relation_cytoplasm_nucleus_; - int type_;//type acording to the oncoproteine level: 1, 2, 3 or 4. 1 is the most muttated and ploriferative type and 4 is the least aggressive one. Type 5 means dead - Real3 older_velocity_; // Velocity of the cell in the previous step + + /** @brief Cell type according to oncoprotein level + * + * Types 1-4: 1 is the most mutated and proliferative type, 4 is the least aggressive. + * Type 5 means the cell is dead. + */ + int type_; + + /** @brief Velocity of the cell in the previous time step */ + Real3 older_velocity_; + + /** @brief Rate of oxygen consumption by the cell */ real_t oxygen_consumption_rate_; + + /** @brief Rate of immunostimulatory factor secretion by the cell */ real_t immunostimulatory_factor_secretion_rate_; - //constants for ConsumptionSecretion differential equation solution + + /** @name Consumption/Secretion Constants + * @brief Constants for consumption/secretion differential equation solutions + * @{ + */ + + /** @brief Constant 1 for oxygen consumption/secretion differential equation solution */ real_t constant1_oxygen_; + + /** @brief Constant 2 for oxygen consumption/secretion differential equation solution */ real_t constant2_oxygen_; + + /** @brief Constant 1 for immunostimulatory factor consumption/secretion differential equation solution */ real_t constant1_immunostimulatory_factor_; + + /** @brief Constant 2 for immunostimulatory factor consumption/secretion differential equation solution */ real_t constant2_immunostimulatory_factor_; + + /** @} */ // end of Consumption/Secretion Constants group + + /** @} */ // end of Private Member Variables group }; -// ───────────────────────────── -// Behavior: StateControlGrowProliferate -// ───────────────────────────── +/** + * @brief Behavior class for controlling tumor cell state transitions and growth + * + * This behavior handles the state control logic for tumor cells, managing + * transitions between different cell states, growth, proliferation, and death + * processes. It includes logic for determining when cells should enter necrosis + * based on oxygen levels and other environmental factors. + */ struct StateControlGrowProliferate : public Behavior { BDM_BEHAVIOR_HEADER(StateControlGrowProliferate, Behavior, 1); + /** @brief Default constructor + * Calls AlwaysCopyToNew() to ensure the behavior is copied to new cells + */ StateControlGrowProliferate() { AlwaysCopyToNew(); } + + /** @brief Virtual destructor */ virtual ~StateControlGrowProliferate() {} + /** @brief Execute the state control and growth behavior + * @param agent Pointer to the agent (cell) on which to apply the behavior + */ void Run(Agent* agent) override; private: - // computes the probability of the cell entering necrosis + /** @brief Compute the probability of the cell entering necrosis + * + * Determines whether a cell should enter necrosis based on oxygen levels + * and other cellular conditions. + * + * @param oxygen_level Current oxygen concentration at the cell's location + * @param cell Pointer to the tumor cell being evaluated + * @return True if the cell should enter necrosis, false otherwise + */ bool ShouldEnterNecrosis(real_t oxygen_level,TumorCell* cell) const; }; diff --git a/src/utils_aux.cc b/src/utils_aux.cc index ead04de..15594b4 100644 --- a/src/utils_aux.cc +++ b/src/utils_aux.cc @@ -1,20 +1,22 @@ -// ----------------------------------------------------------------------------- -// Copyright (C) 2025 Salvador de la Torre Gonzalez -// Co-author: Luciana Melina Luque -// -// Licensed under the Apache License, Version 2.0 (the "License"); -// you may not use this file except in compliance with the License. -// You may obtain a copy of the License at -// -// http://www.apache.org/licenses/LICENSE-2.0 -// -// Unless required by applicable law or agreed to in writing, software -// distributed under the License is distributed on an "AS IS" BASIS, -// WITHOUT WARRANTIES OR CONDITIONS OF ANY KIND, either express or implied. -// See the License for the specific language governing permissions and -// limitations under the License. -// ----------------------------------------------------------------------------- - +/* + * Copyright 2025 compiler-research.org, Salvador de la Torre Gonzalez, Luciana Melina Luque + * + * Licensed under the Apache License, Version 2.0 (the "License"); + * you may not use this file except in compliance with the License. + * You may obtain a copy of the License at + * + * http://www.apache.org/licenses/LICENSE-2.0 + * SPDX-License-Identifier: Apache-2.0 + * + * Unless required by applicable law or agreed to in writing, software + * distributed under the License is distributed on an "AS IS" BASIS, + * WITHOUT WARRANTIES OR CONDITIONS OF ANY KIND, either express or implied. + * See the License for the specific language governing permissions and + * limitations under the License. + * + * This file contains a model developed under Google Summer of Code (GSoC) + * for the compiler-research.org organization. + */ #include "utils_aux.h" namespace bdm { @@ -27,92 +29,6 @@ real_t SamplePositiveGaussian(float mean, float sigma) { return value; } -// In a future version, consider using this Behavior but controlling the time in which it is applied so that it is executed always after the diffusion module -// ConsumptionSecretion::ConsumptionSecretion(const std::string& substance, real_t quantity_consumption, real_t quantity_secretion, real_t substance_saturation_density){ -// dgrid_ = Simulation::GetActive()->GetResourceManager()->GetDiffusionGrid(substance); -// substance_saturation_density_ = substance_saturation_density; -// this->SetQuantities(quantity_consumption,quantity_secretion); -// AlwaysCopyToNew(); -// } - -// ConsumptionSecretion::ConsumptionSecretion(DiffusionGrid* dgrid, real_t quantity_consumption, real_t quantity_secretion,real_t substance_saturation_density){ -// dgrid_ = dgrid; -// substance_saturation_density_ = substance_saturation_density; -// this->SetQuantities(quantity_consumption,quantity_secretion); -// AlwaysCopyToNew(); -// } - -// void ConsumptionSecretion::Initialize(const NewAgentEvent& event) { -// Base::Initialize(event); -// auto* other = bdm_static_cast(event.existing_behavior); -// dgrid_ = other->dgrid_; -// quantity_consumption_ = other->quantity_consumption_; -// quantity_secretion_ = other->quantity_secretion_; -// substance_saturation_density_ = other->substance_saturation_density_; -// constant1_ = other->constant1_; -// constant2_ = other->constant2_; -// } - -// void ConsumptionSecretion::Run(Agent* agent) { - -// const auto& pos = agent->GetPosition(); - -// // // std::cout<<"constant1: "<GetValue(pos); -// new_conc = (conc + constant1_) / constant2_; // Equation solution -// dgrid_->ChangeConcentrationBy(pos, new_conc - conc, InteractionMode::kAdditive, false);//CHANGE to use SetConcentration from DiffusionThomasAlgorithm -// } - -// // double current_time = Simulation::GetActive()->GetScheduler()->GetSimulatedSteps()* kDt; // Get the current time step in minutes -// // std::ofstream file("output/consumptions_mine.csv", std::ios::app);////Debug -// // if (file.is_open()) { -// // file << current_time << "," << conc << "," << constant1_ << "," << constant2_ << "," << new_conc <<"\n"; -// // } -// // double current_time = Simulation::GetActive()->GetScheduler()->GetSimulatedSteps()* kDt; // Get the current time step in minutes -// // std::ofstream file("output/consumptions_mine" + std::to_string(current_time) + ".csv", std::ios::app);////Debug//(12*60)) + ".csv", std::ios::app); -// // if (file.is_open()) { -// // file << conc << "," << constant1_ << "," << constant2_ << "," << new_conc <<"\n"; - - -// // } -// // Debug: print all parameters and values if new concentration > 100 -// // if (new_conc > 100) { -// // std::cout << "Debug ConsumptionSecretion:\n"; -// // std::cout << " Position: (" << pos[0] << ", " << pos[1] << ", " << pos[2] << ")\n"; -// // std::cout << " conc (current concentration): " << conc << "\n"; -// // std::cout << " constant1: " << constant1_ << "\n"; -// // std::cout << " constant2: " << constant2_ << "\n"; -// // std::cout << " new_conc: " << new_conc << "\n"; -// // std::cout << " quantity_consumption_: " << quantity_consumption_ << "\n"; -// // std::cout << " quantity_secretion_: " << quantity_secretion_ << "\n"; -// // std::cout << " substance_saturation_density_: " << substance_saturation_density_ << "\n"; -// // std::cout << " kDt: " << kDt << "\n"; -// // std::cout << " kDefaultVolumeNewTumorCell: " << kDefaultVolumeNewTumorCell << "\n"; -// // std::cout << " kVoxelVolume: " << kVoxelVolume << "\n"; -// // //stop simulation -// // throw std::runtime_error("Aborting simulation due to high concentration in ConsumptionSecretion."); -// // } -// } - -// void ConsumptionSecretion::SetQuantities(real_t quantity_consumption, real_t quantity_secretion) {// Set quantities for consumption and secretion by giving them already scaled -// quantity_consumption_ = quantity_consumption; -// quantity_secretion_ = quantity_secretion; -// } - -// void ConsumptionSecretion::ComputeConstants(real_t total_volume) { -// //compute the constants for the differential equation explicit solution -// //dt*(cell_volume/voxel_volume)*quantity_secretion*substance_saturation = dt · (V_k / V_voxel) · S_k · ρ*_k) -// constant1_ = quantity_secretion_ * substance_saturation_density_ * kDt * (total_volume / kVoxelVolume);// Scale by the volume of the cell in the Voxel and time step -// //1 + dt*(cell_volume/voxel_volume)*(quantity_secretion + quantity_consumption ) = [1 + dt · (V_k / V_voxel) · (S_k + U_k)] -// constant2_ = 1 + kDt * (total_volume/ kVoxelVolume) * (quantity_secretion_ + quantity_consumption_);// Scale by the volume of the cell in the Voxel and time step -// } std::vector CreateSphereOfTumorCells(real_t sphere_radius) { // V = (4/3)*pi*r^3 = (pi/6)*diameter^3 diff --git a/src/utils_aux.h b/src/utils_aux.h index cf88f69..480b79f 100644 --- a/src/utils_aux.h +++ b/src/utils_aux.h @@ -1,20 +1,22 @@ -// ----------------------------------------------------------------------------- -// Copyright (C) 2025 Salvador de la Torre Gonzalez -// Co-author: Luciana Melina Luque -// -// Licensed under the Apache License, Version 2.0 (the "License"); -// you may not use this file except in compliance with the License. -// You may obtain a copy of the License at -// -// http://www.apache.org/licenses/LICENSE-2.0 -// -// Unless required by applicable law or agreed to in writing, software -// distributed under the License is distributed on an "AS IS" BASIS, -// WITHOUT WARRANTIES OR CONDITIONS OF ANY KIND, either express or implied. -// See the License for the specific language governing permissions and -// limitations under the License. -// ----------------------------------------------------------------------------- - +/* + * Copyright 2025 compiler-research.org, Salvador de la Torre Gonzalez, Luciana Melina Luque + * + * Licensed under the Apache License, Version 2.0 (the "License"); + * you may not use this file except in compliance with the License. + * You may obtain a copy of the License at + * + * http://www.apache.org/licenses/LICENSE-2.0 + * SPDX-License-Identifier: Apache-2.0 + * + * Unless required by applicable law or agreed to in writing, software + * distributed under the License is distributed on an "AS IS" BASIS, + * WITHOUT WARRANTIES OR CONDITIONS OF ANY KIND, either express or implied. + * See the License for the specific language governing permissions and + * limitations under the License. + * + * This file contains a model developed under Google Summer of Code (GSoC) + * for the compiler-research.org organization. + */ #ifndef CORE_UTIL_UTILS_AUX_H_ #define CORE_UTIL_UTILS_AUX_H_ @@ -25,100 +27,91 @@ #include "tumor_cell.h" namespace bdm { - class TumorCell; // Forward declaration - -// Samples a Gaussian value with given mean and standard deviation but all negative values are mapped to zero + /** @brief Forward declaration of TumorCell class */ + class TumorCell; + +/** @name Random Sampling Functions + * @brief Functions for random value generation + * @{ + */ + +/** @brief Sample a positive Gaussian value + * + * Samples a Gaussian value with given mean and standard deviation. + * All negative values are mapped to zero to ensure positive results. + * + * @param mean Mean value of the Gaussian distribution + * @param sigma Standard deviation of the Gaussian distribution + * @return Sampled positive value (negative values mapped to zero) + */ real_t SamplePositiveGaussian(float mean, float sigma); -// Samples a random antigen pattern from the predefined antigen patterns for CAR-T cells -// inline std::map SampleAntigenPattern(const std::vector, float>>& possibilitiesRecognizedAntigensCart) { -// float accum = 0.0f; - -// float rnumber = Simulation::GetActive()->GetRandom()->Uniform(0.0f, 1.0f); - -// for (const auto& [dictionary, probability] : possibilitiesRecognizedAntigensCart) { -// accum += probability; -// if (rnumber <= accum) { -// return dictionary; -// } -// } - -// // Fallback in case no pattern is selected (should not happen) -// return possibilitiesRecognizedAntigensCart.back().first; -// } - -// ───────────────────────────── -// Behavior: Secretion or consumption of a substance following the differential equation -// ∂ρ/∂t = ∇·(D ∇ρ) − λ · ρ + sum_{cells in voxel}((V_k / V_voxel) · [ S_k · ( ρ*_k − ρ ) − (S_k + U_k) · ρ ]) -// where: -// ρ = concentration of the substance in the microenvironment -// S_k = secretion rate of cell k -// U_k = uptake (consumption) rate of cell k -// ρ*_k = saturation (target) density for secretion -// V_k = volume of the cell k which is approximated to the default volume of a new tumor cell -// V_voxel = volume of the voxel containing the cell -// dt = simulation time step -// -// In this class, we only model the secretion and consumption of the substance, -// not its diffusion, which is: -// (ρ − σ)/dt = sum_{cells in voxel}((V_k / V_voxel) · [ S_k · ( ρ*_k − ρ ) − (S_k + U_k) · ρ ]) -// where σ is the concentration of the substance in the voxel at the previous time step (it can include the diffusion term) -// ρⁿ⁺¹ = (ρⁿ + dt · (V_k / V_voxel) · S_k · ρ*_k) -// / [1 + dt · (V_k / V_voxel) · (S_k + U_k)] -// -// where: -// ρⁿ = current concentration -// ρⁿ⁺¹ = updated concentration after secretion/uptake -// This assumes secretion is toward a saturation level, and uptake is proportional to ρ -// ───────────────────────────── - -// class ConsumptionSecretion : public Behavior { -// BDM_BEHAVIOR_HEADER(ConsumptionSecretion, Behavior, 1); - -// public: -// ConsumptionSecretion() = default; -// explicit ConsumptionSecretion(const std::string& substance, real_t quantity_consumption, real_t quantity_secretion, real_t substance_saturation_density); -// explicit ConsumptionSecretion(DiffusionGrid* dgrid, real_t quantity_consumption, real_t quantity_secretion,real_t substance_saturation_density); - -// virtual ~ConsumptionSecretion() = default; - -// void Initialize(const NewAgentEvent& event) override; - -// void Run(Agent* agent) override; - -// real_t GetConsumption() const { return quantity_consumption_; } -// real_t GetSecretion() const { return quantity_secretion_; } - -// void SetQuantities(real_t quantity_consumption, real_t quantity_secretion);// Set quantities for consumption and secretion by giving them already scaled - -// void ComputeConstants(real_t total_volume); - -// private: -// DiffusionGrid* dgrid_ = nullptr; -// real_t constant1_;// = dt*(cell_volume/voxel_volume)*quantity_secretion*substance_saturation = dt · (V_k / V_voxel) · S_k · ρ*_k) -// real_t constant2_;// = 1 + dt*(cell_volume/voxel_volume)*(quantity_secretion + quantity_consumption ) = [1 + dt · (V_k / V_voxel) · (S_k + U_k)] -// real_t quantity_consumption_; -// real_t quantity_secretion_; -// real_t substance_saturation_density_; // Saturation density for the substance, the agent tries to secrete till this value -// }; - +/** @} */ // end of Random Sampling Functions group + +/** @name Tumor Analysis Functions + * @brief Functions for tumor creation and analysis + * @{ + */ + +/** @brief Create a spherical arrangement of tumor cells + * + * Generates a vector of 3D positions for tumor cells arranged in a spherical + * pattern with the specified radius. The cells are positioned to form a + * realistic tumor structure. + * + * @param sphere_radius Radius of the spherical tumor in micrometers + * @return Vector of 3D positions where tumor cells should be placed + */ std::vector CreateSphereOfTumorCells(real_t sphere_radius); -//Function to compute the number of tumor cells of each type and the radius of the tumor +/** @brief Compute tumor statistics and characteristics + * + * Analyzes the current tumor population to compute the number of tumor cells + * of each type and the overall radius of the tumor mass. + * + * @return Tuple containing: + * - Number of type 1 tumor cells (most aggressive) + * - Number of type 2 tumor cells + * - Number of type 3 tumor cells + * - Number of type 4 tumor cells (least aggressive) + * - Number of type 5 tumor cells (dead) + * - Total number of tumor cells + * - Current tumor radius in micrometers + */ std::tuple ComputeNumberTumorCellsAndRadius(); -// Function to output summary CSV +/** @} */ // end of Tumor Analysis Functions group + +/** @name Output and Analysis Operations + * @brief Operations for data output and simulation analysis + * @{ + */ + +/** @brief Operation for outputting simulation summary data to CSV files + * + * This operation collects and outputs summary statistics about the simulation + * state to CSV files for post-processing and analysis. It includes information + * about cell populations, tumor characteristics, and other relevant metrics. + */ struct OutputSummary : public StandaloneOperationImpl { BDM_OP_HEADER(OutputSummary); + /** @brief Frequency of output (every N simulation steps) */ uint64_t frequency_ = 1; + /** @brief Execute the output operation + * + * Collects current simulation data and writes it to CSV files. + * Called automatically by the simulation scheduler at the specified frequency. + */ void operator()() override; }; -// Register with CPU as compute target +/** @brief Register OutputSummary operation with CPU as compute target */ inline BDM_REGISTER_OP(OutputSummary, "OutputSummary", kCpu); +/** @} */ // end of Output and Analysis Operations group + } // namespace bdm #endif // CORE_UTIL_UTILS_AUX_H_ \ No newline at end of file From 69c73e2215b37c31d47df88a4524d88ea15039c1 Mon Sep 17 00:00:00 2001 From: =?UTF-8?q?Salvador=20de=20la=20Torre=20Gonz=C3=A1lez?= <91910656+salva24@users.noreply.github.com> Date: Sat, 16 Aug 2025 11:10:38 +0200 Subject: [PATCH 03/47] Update README.md Co-authored-by: Vassil Vassilev --- README.md | 3 +-- 1 file changed, 1 insertion(+), 2 deletions(-) diff --git a/README.md b/README.md index c000a66..9019f51 100644 --- a/README.md +++ b/README.md @@ -92,8 +92,7 @@ Directly from the build directory: ## Acknowledgments -This project builds upon the BioDynaMo simulation framework -(Copyright © 2021 CERN & University of Surrey): +This project builds upon the BioDynaMo simulation framework. > Lukas Breitwieser, Ahmad Hesam, Jean de Montigny, Vasileios Vavourakis, Alexandros Iosif, Jack Jennings, Marcus Kaiser, Marco Manca, Alberto Di Meglio, Zaid Al-Ars, Fons Rademakers, Onur Mutlu, Roman Bauer. > *BioDynaMo: a modular platform for high-performance agent-based simulation*. From 9ef971c4bdb0451369fafa05166e273b35dc0be4 Mon Sep 17 00:00:00 2001 From: =?UTF-8?q?Salvador=20de=20la=20Torre=20Gonz=C3=A1lez?= <91910656+salva24@users.noreply.github.com> Date: Sat, 16 Aug 2025 11:51:54 +0200 Subject: [PATCH 04/47] Update src/cart_cell.cc Co-authored-by: Vassil Vassilev --- src/cart_cell.cc | 7 ++++--- 1 file changed, 4 insertions(+), 3 deletions(-) diff --git a/src/cart_cell.cc b/src/cart_cell.cc index 9a7c018..6a03011 100644 --- a/src/cart_cell.cc +++ b/src/cart_cell.cc @@ -38,10 +38,11 @@ CartCell::CartCell(const Real3& position) { SetNuclearVolume(kDefaultVolumeNucleusCartCell); + ResourceManager &rm = *Simulation::GetActive()->GetResourceManager(); // Pointer to oxygen diffusion grid - oxygen_dgrid_ = Simulation::GetActive()->GetResourceManager()->GetDiffusionGrid("oxygen"); + oxygen_dgrid_ = rm.GetDiffusionGrid("oxygen"); // Pointer to immunostimulatory_factor diffusion grid - immunostimulatory_factor_dgrid_ = Simulation::GetActive()->GetResourceManager()->GetDiffusionGrid("immunostimulatory_factor"); + immunostimulatory_factor_dgrid_ = rm.GetDiffusionGrid("immunostimulatory_factor"); // Initially not attached to a tumor cell attached_to_tumor_cell_ = false; // Initialize attached cell pointer to null @@ -308,4 +309,4 @@ void StateControlCart::Run(Agent* agent) { } } -} // namespace bdm \ No newline at end of file +} // namespace bdm From 05cb370d41b179fea0283a1787f7dbdeae7dba7e Mon Sep 17 00:00:00 2001 From: salva24 Date: Sat, 16 Aug 2025 15:12:53 +0200 Subject: [PATCH 05/47] changed comments to follow doxygen-style --- src/diffusion_thomas_algorithm.cc | 16 ++++++++++------ 1 file changed, 10 insertions(+), 6 deletions(-) diff --git a/src/diffusion_thomas_algorithm.cc b/src/diffusion_thomas_algorithm.cc index b07cfea..dfe366c 100644 --- a/src/diffusion_thomas_algorithm.cc +++ b/src/diffusion_thomas_algorithm.cc @@ -30,8 +30,10 @@ DiffusionThomasAlgorithm::DiffusionThomasAlgorithm(int substance_id, std::string : DiffusionGrid(substance_id, std::move(substance_name), dc, mu, resolution) { SetTimeStep(dt); - resolution_ = GetResolution();//num of voxels in each direction - d_space_ = kBoundedSpaceLength / resolution_; // Voxel side length in micrometers + //num of voxels in each direction + resolution_ = GetResolution(); + // Voxel side length in micrometers + d_space_ = kBoundedSpaceLength / resolution_; dirichlet_border_ = dirichlet_border; @@ -39,12 +41,14 @@ DiffusionThomasAlgorithm::DiffusionThomasAlgorithm(int substance_id, std::string jump_j_ = resolution_; jump_k_ = resolution_ * resolution_; - constant1_ = dc;//all diffusion coefficients are the same for all directions (isotropic) + //all diffusion coefficients are the same for all directions (isotropic) + constant1_ = dc; constant1_ *=dt/(d_space_ * d_space_); constant1a_ = -constant1_; - - constant2_ = mu;//decay constant - constant2_ *= dt / 3.0; // Divide by 3 for the three directions + //decay constant + constant2_ = mu; + // Divide by 3 for the three directions + constant2_ *= dt / 3.0; constant3_ = 1.0 + 2 * constant1_ + constant2_; constant3a_ = 1.0 + constant1_ + constant2_; From 84d04731908e951cb5cfd09dfa8012b2be826fae Mon Sep 17 00:00:00 2001 From: salva24 Date: Sat, 16 Aug 2025 16:55:50 +0200 Subject: [PATCH 06/47] Remove draft_code_my_own_analysis/ from tracking and add to .gitignore --- .gitignore | 3 + .../compare_denstity_vectors.py | 39 -- ...eOxygen_freeOncoprotein_freeRandomRate.txt | 540 ------------------ ...rate_tumor_radius_and_cells_comparison.png | Bin 226022 -> 0 bytes ...rison_plots_fixed_cell_volume_adhesion.png | Bin 342456 -> 0 bytes ...ison_plots_fixed_cell_volume_repulsion.png | Bin 236610 -> 0 bytes ...rate_tumor_radius_and_cells_comparison.png | Bin 243721 -> 0 bytes ...andom_rate_tumor_cell_types_comparison.png | Bin 301464 -> 0 bytes ...rate_tumor_radius_and_cells_comparison.png | Bin 256780 -> 0 bytes ...no_cart_oxygen_oncoproteine_comparison.png | Bin 323736 -> 0 bytes .../oxygen_no_force_with_consumption.png | Bin 233463 -> 0 bytes .../oxygen_no_force_without_consumption.png | Bin 212437 -> 0 bytes draft_code_my_own_analysis/plot_forces.py | 88 --- .../plot_num_cells_nad_radius.py | 74 --- .../plot_oncoproteine_and_oxygen_levels.py | 102 ---- .../plot_oxygen_density.py | 75 --- .../plot_type_of_cells.py | 98 ---- .../process_csv_files.py | 84 --- .../read_csv_to_compare_levels.py | 102 ---- 19 files changed, 3 insertions(+), 1202 deletions(-) delete mode 100644 draft_code_my_own_analysis/compare_denstity_vectors.py delete mode 100644 draft_code_my_own_analysis/comparison_results_freeOxygen_freeOncoprotein_freeRandomRate.txt delete mode 100644 draft_code_my_own_analysis/fixed_oxygen_fixed_oncoproteine_fixed_random_rate_tumor_radius_and_cells_comparison.png delete mode 100644 draft_code_my_own_analysis/force_comparison_plots_fixed_cell_volume_adhesion.png delete mode 100644 draft_code_my_own_analysis/force_comparison_plots_fixed_cell_volume_repulsion.png delete mode 100644 draft_code_my_own_analysis/no_cart_free_oxygen_fixed_oncoproteine_fixed_random_rate_tumor_radius_and_cells_comparison.png delete mode 100644 draft_code_my_own_analysis/no_cart_free_oxygen_free_oncoproteine_free_random_rate_tumor_cell_types_comparison.png delete mode 100644 draft_code_my_own_analysis/no_cart_free_oxygen_free_oncoproteine_free_random_rate_tumor_radius_and_cells_comparison.png delete mode 100644 draft_code_my_own_analysis/no_cart_oxygen_oncoproteine_comparison.png delete mode 100644 draft_code_my_own_analysis/oxygen_no_force_with_consumption.png delete mode 100644 draft_code_my_own_analysis/oxygen_no_force_without_consumption.png delete mode 100644 draft_code_my_own_analysis/plot_forces.py delete mode 100644 draft_code_my_own_analysis/plot_num_cells_nad_radius.py delete mode 100644 draft_code_my_own_analysis/plot_oncoproteine_and_oxygen_levels.py delete mode 100644 draft_code_my_own_analysis/plot_oxygen_density.py delete mode 100644 draft_code_my_own_analysis/plot_type_of_cells.py delete mode 100644 draft_code_my_own_analysis/process_csv_files.py delete mode 100644 draft_code_my_own_analysis/read_csv_to_compare_levels.py diff --git a/.gitignore b/.gitignore index 28b174a..fc406c4 100644 --- a/.gitignore +++ b/.gitignore @@ -119,3 +119,6 @@ doc/latex # Result files *.xyz *.dat + +# Code for comparing models +draft_code_my_own_analysis/ \ No newline at end of file diff --git a/draft_code_my_own_analysis/compare_denstity_vectors.py b/draft_code_my_own_analysis/compare_denstity_vectors.py deleted file mode 100644 index 67bfcea..0000000 --- a/draft_code_my_own_analysis/compare_denstity_vectors.py +++ /dev/null @@ -1,39 +0,0 @@ -# ----------------------------------------------------------------------------- -# Copyright (C) 2025 Salvador de la Torre Gonzalez -# Co-author: Luciana Melina Luque -# -# Licensed under the Apache License, Version 2.0 (the "License"); -# you may not use this file except in compliance with the License. -# You may obtain a copy of the License at -# -# http://www.apache.org/licenses/LICENSE-2.0 -# -# Unless required by applicable law or agreed to in writing, software -# distributed under the License is distributed on an "AS IS" BASIS, -# WITHOUT WARRANTIES OR CONDITIONS OF ANY KIND, either express or implied. -# See the License for the specific language governing permissions and -# limitations under the License. -# ----------------------------------------------------------------------------- - -import numpy as np - -with open('vector_densities.csv', 'r') as file: - line = file.readline().strip() - vector_theirs = np.array([float(val) for val in line.split(',')]) - -print(f"Vector length: {len(vector_theirs)}") - -with open('vector_densities_mine.csv', 'r') as file: - line = file.readline().strip() - vector_mine = np.array([float(val) for val in line.split(',')]) - -print(f"Vector length: {len(vector_mine)}") - - -if np.array_equal(vector_theirs, vector_mine): - print("The vectors are equal.") -else: - print("The vectors are different at the following positions:") - for i, (a, b) in enumerate(zip(vector_theirs, vector_mine)): - if a != b: - print(f"Index {i}: vector_theirs={a}, vector_mine={b}") \ No newline at end of file diff --git a/draft_code_my_own_analysis/comparison_results_freeOxygen_freeOncoprotein_freeRandomRate.txt b/draft_code_my_own_analysis/comparison_results_freeOxygen_freeOncoprotein_freeRandomRate.txt deleted file mode 100644 index bb881c8..0000000 --- a/draft_code_my_own_analysis/comparison_results_freeOxygen_freeOncoprotein_freeRandomRate.txt +++ /dev/null @@ -1,540 +0,0 @@ - -Comparison for simulation 0: -Metric Mine Min Mine Avg Mine Max Paper Min Paper Avg Paper Max -------------------------------------------------------------------------------------------------- -Oxygen level 17.594600 22.428127 38.000000 17.423000 22.425188 26.784200 -Oncoprotein level 0.140756 0.999939 1.817520 0.102169 0.997280 1.860550 -Base transition rate 0.000318 0.000435 0.000644 0.000323 0.000436 0.000644 -Transition rate 0.000028 0.000193 0.000977 0.000018 0.000193 0.000480 -Necrosis probability 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 - -Comparison for simulation 1: -Metric Mine Min Mine Avg Mine Max Paper Min Paper Avg Paper Max -------------------------------------------------------------------------------------------------- -Oxygen level 17.348200 21.954317 26.571000 17.373200 22.231981 26.535400 -Oncoprotein level 0.140756 0.999939 1.817520 0.102169 0.997280 1.860550 -Base transition rate 0.000318 0.000435 0.000644 0.000323 0.000436 0.000644 -Transition rate 0.000028 0.000186 0.000446 0.000021 0.000190 0.000481 -Necrosis probability 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 - -Comparison for simulation 2: -Metric Mine Min Mine Avg Mine Max Paper Min Paper Avg Paper Max -------------------------------------------------------------------------------------------------- -Oxygen level 17.359800 21.953914 26.545200 17.300600 22.110227 26.369600 -Oncoprotein level 0.140756 0.999939 1.817520 0.102169 0.997293 1.860550 -Base transition rate 0.000318 0.000435 0.000644 0.000323 0.000436 0.000644 -Transition rate 0.000028 0.000186 0.000445 0.000021 0.000188 0.000480 -Necrosis probability 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 - -Comparison for simulation 3: -Metric Mine Min Mine Avg Mine Max Paper Min Paper Avg Paper Max -------------------------------------------------------------------------------------------------- -Oxygen level 17.352600 21.957852 27.394400 17.239900 22.049440 27.495300 -Oncoprotein level 0.140756 1.000765 1.817520 0.102169 0.998553 1.860550 -Base transition rate 0.000318 0.000435 0.000644 0.000323 0.000436 0.000644 -Transition rate 0.000028 0.000186 0.000459 0.000021 0.000188 0.000536 -Necrosis probability 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 - -Comparison for simulation 4: -Metric Mine Min Mine Avg Mine Max Paper Min Paper Avg Paper Max -------------------------------------------------------------------------------------------------- -Oxygen level 17.238100 21.999784 27.269400 17.219000 22.039997 27.533300 -Oncoprotein level 0.140756 1.012002 1.817520 0.102169 1.009633 1.860550 -Base transition rate 0.000318 0.000435 0.000644 0.000323 0.000436 0.000645 -Transition rate 0.000028 0.000189 0.000488 0.000019 0.000190 0.000524 -Necrosis probability 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 - -Comparison for simulation 5: -Metric Mine Min Mine Avg Mine Max Paper Min Paper Avg Paper Max -------------------------------------------------------------------------------------------------- -Oxygen level 16.877700 21.955641 27.225800 16.732700 21.988832 27.405700 -Oncoprotein level 0.140756 1.033408 1.817520 0.102169 1.031139 1.860550 -Base transition rate 0.000315 0.000435 0.000659 0.000323 0.000436 0.000645 -Transition rate 0.000025 0.000193 0.000513 0.000018 0.000194 0.000514 -Necrosis probability 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 - -Comparison for simulation 6: -Metric Mine Min Mine Avg Mine Max Paper Min Paper Avg Paper Max -------------------------------------------------------------------------------------------------- -Oxygen level 16.396100 21.700598 26.904800 16.229300 21.713228 27.070100 -Oncoprotein level 0.140756 1.048316 1.817520 0.102169 1.045505 1.860550 -Base transition rate 0.000315 0.000435 0.000659 0.000323 0.000437 0.000717 -Transition rate 0.000025 0.000192 0.000512 0.000019 0.000192 0.000501 -Necrosis probability 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 - -Comparison for simulation 7: -Metric Mine Min Mine Avg Mine Max Paper Min Paper Avg Paper Max -------------------------------------------------------------------------------------------------- -Oxygen level 16.107500 21.369941 26.853700 15.870200 21.324605 26.803500 -Oncoprotein level 0.140756 1.052880 1.817520 0.102169 1.051345 1.860550 -Base transition rate 0.000315 0.000435 0.000659 0.000323 0.000437 0.000717 -Transition rate 0.000022 0.000187 0.000501 0.000019 0.000186 0.000485 -Necrosis probability 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 - -Comparison for simulation 8: -Metric Mine Min Mine Avg Mine Max Paper Min Paper Avg Paper Max -------------------------------------------------------------------------------------------------- -Oxygen level 15.996500 21.033445 26.748400 15.466200 20.936556 26.850600 -Oncoprotein level 0.140756 1.055732 1.817520 0.102169 1.053421 1.860550 -Base transition rate 0.000315 0.000435 0.000659 0.000323 0.000437 0.000717 -Transition rate 0.000021 0.000181 0.000479 0.000017 0.000180 0.000478 -Necrosis probability 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 - -Comparison for simulation 9: -Metric Mine Min Mine Avg Mine Max Paper Min Paper Avg Paper Max -------------------------------------------------------------------------------------------------- -Oxygen level 15.586900 20.710775 26.495800 14.912200 20.617968 26.397300 -Oncoprotein level 0.140756 1.060112 1.817520 0.102169 1.055886 1.860550 -Base transition rate 0.000315 0.000435 0.000659 0.000323 0.000437 0.000717 -Transition rate 0.000021 0.000177 0.000443 0.000017 0.000175 0.000460 -Necrosis probability 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 - -Comparison for simulation 10: -Metric Mine Min Mine Avg Mine Max Paper Min Paper Avg Paper Max -------------------------------------------------------------------------------------------------- -Oxygen level 14.904200 20.407000 26.167800 14.788300 20.314331 26.118400 -Oncoprotein level 0.140756 1.064731 1.817520 0.102169 1.061169 1.860550 -Base transition rate 0.000315 0.000435 0.000659 0.000322 0.000437 0.000717 -Transition rate 0.000021 0.000173 0.000456 0.000015 0.000171 0.000465 -Necrosis probability 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 - -Comparison for simulation 11: -Metric Mine Min Mine Avg Mine Max Paper Min Paper Avg Paper Max -------------------------------------------------------------------------------------------------- -Oxygen level 14.814700 20.086179 26.078800 14.196200 20.023905 25.944000 -Oncoprotein level 0.140756 1.069362 1.817520 0.102169 1.066090 1.860550 -Base transition rate 0.000315 0.000435 0.000659 0.000322 0.000437 0.000717 -Transition rate 0.000022 0.000168 0.000455 0.000015 0.000167 0.000466 -Necrosis probability 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 - -Comparison for simulation 12: -Metric Mine Min Mine Avg Mine Max Paper Min Paper Avg Paper Max -------------------------------------------------------------------------------------------------- -Oxygen level 14.550800 19.784252 25.854500 13.829900 19.729240 25.655100 -Oncoprotein level 0.140756 1.074462 1.817520 0.102169 1.072082 1.860550 -Base transition rate 0.000315 0.000435 0.000672 0.000322 0.000437 0.000717 -Transition rate 0.000022 0.000164 0.000434 0.000015 0.000163 0.000461 -Necrosis probability 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 - -Comparison for simulation 13: -Metric Mine Min Mine Avg Mine Max Paper Min Paper Avg Paper Max -------------------------------------------------------------------------------------------------- -Oxygen level 14.251300 19.498935 25.548400 13.539100 19.441134 25.327900 -Oncoprotein level 0.140756 1.078960 1.817520 0.102169 1.077271 1.860550 -Base transition rate 0.000315 0.000435 0.000672 0.000322 0.000437 0.000717 -Transition rate 0.000019 0.000160 0.000429 0.000016 0.000159 0.000502 -Necrosis probability 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 - -Comparison for simulation 14: -Metric Mine Min Mine Avg Mine Max Paper Min Paper Avg Paper Max -------------------------------------------------------------------------------------------------- -Oxygen level 13.939700 19.242526 25.206900 13.575300 19.177553 25.716900 -Oncoprotein level 0.140756 1.083694 1.817520 0.102169 1.081173 1.860550 -Base transition rate 0.000315 0.000435 0.000672 0.000322 0.000437 0.000717 -Transition rate 0.000019 0.000157 0.000424 0.000015 0.000155 0.000486 -Necrosis probability 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 - -Comparison for simulation 15: -Metric Mine Min Mine Avg Mine Max Paper Min Paper Avg Paper Max -------------------------------------------------------------------------------------------------- -Oxygen level 13.573200 18.985843 25.386000 12.842600 18.912300 25.488300 -Oncoprotein level 0.140756 1.088919 1.817520 0.102169 1.086194 1.860550 -Base transition rate 0.000315 0.000435 0.000672 0.000322 0.000437 0.000717 -Transition rate 0.000015 0.000153 0.000502 0.000014 0.000152 0.000469 -Necrosis probability 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 - -Comparison for simulation 16: -Metric Mine Min Mine Avg Mine Max Paper Min Paper Avg Paper Max -------------------------------------------------------------------------------------------------- -Oxygen level 13.230900 18.716793 25.086300 12.527100 18.663084 24.985400 -Oncoprotein level 0.140756 1.094493 1.817520 0.102169 1.090740 1.860550 -Base transition rate 0.000315 0.000435 0.000672 0.000322 0.000437 0.000717 -Transition rate 0.000014 0.000149 0.000500 0.000013 0.000148 0.000445 -Necrosis probability 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 - -Comparison for simulation 17: -Metric Mine Min Mine Avg Mine Max Paper Min Paper Avg Paper Max -------------------------------------------------------------------------------------------------- -Oxygen level 13.012000 18.466823 25.205700 12.424700 18.413712 25.020100 -Oncoprotein level 0.140756 1.100105 1.817520 0.102169 1.095767 1.860550 -Base transition rate 0.000315 0.000436 0.000672 0.000322 0.000437 0.000717 -Transition rate 0.000014 0.000146 0.000488 0.000013 0.000145 0.000473 -Necrosis probability 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 - -Comparison for simulation 18: -Metric Mine Min Mine Avg Mine Max Paper Min Paper Avg Paper Max -------------------------------------------------------------------------------------------------- -Oxygen level 12.592200 18.207334 24.873000 12.319200 18.172157 24.689100 -Oncoprotein level 0.140756 1.105882 1.817520 0.102169 1.100481 1.860550 -Base transition rate 0.000315 0.000436 0.000672 0.000322 0.000437 0.000717 -Transition rate 0.000014 0.000142 0.000483 0.000012 0.000141 0.000465 -Necrosis probability 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 - -Comparison for simulation 19: -Metric Mine Min Mine Avg Mine Max Paper Min Paper Avg Paper Max -------------------------------------------------------------------------------------------------- -Oxygen level 12.311100 17.981109 24.736000 12.039500 17.934975 24.548500 -Oncoprotein level 0.140756 1.109801 1.817520 0.102169 1.105019 1.860550 -Base transition rate 0.000315 0.000435 0.000672 0.000322 0.000437 0.000717 -Transition rate 0.000013 0.000139 0.000497 0.000012 0.000138 0.000445 -Necrosis probability 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 - -Comparison for simulation 20: -Metric Mine Min Mine Avg Mine Max Paper Min Paper Avg Paper Max -------------------------------------------------------------------------------------------------- -Oxygen level 11.965000 17.769113 24.904300 11.759700 17.708320 24.414400 -Oncoprotein level 0.140756 1.114097 1.817520 0.102169 1.109409 1.860550 -Base transition rate 0.000315 0.000436 0.000699 0.000322 0.000437 0.000717 -Transition rate 0.000011 0.000136 0.000490 0.000010 0.000135 0.000466 -Necrosis probability 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 - -Comparison for simulation 21: -Metric Mine Min Mine Avg Mine Max Paper Min Paper Avg Paper Max -------------------------------------------------------------------------------------------------- -Oxygen level 11.710100 17.565833 24.389300 11.506500 17.502734 24.823500 -Oncoprotein level 0.140756 1.118690 1.817520 0.102169 1.113756 1.860550 -Base transition rate 0.000315 0.000436 0.000699 0.000322 0.000437 0.000717 -Transition rate 0.000011 0.000133 0.000471 0.000009 0.000132 0.000450 -Necrosis probability 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 - -Comparison for simulation 22: -Metric Mine Min Mine Avg Mine Max Paper Min Paper Avg Paper Max -------------------------------------------------------------------------------------------------- -Oxygen level 11.380300 17.349785 24.163700 11.248000 17.304599 24.453000 -Oncoprotein level 0.140756 1.123872 1.817520 0.102169 1.118863 1.860550 -Base transition rate 0.000315 0.000436 0.000699 0.000322 0.000437 0.000717 -Transition rate 0.000008 0.000130 0.000456 0.000007 0.000129 0.000449 -Necrosis probability 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 - -Comparison for simulation 23: -Metric Mine Min Mine Avg Mine Max Paper Min Paper Avg Paper Max -------------------------------------------------------------------------------------------------- -Oxygen level 11.136900 17.139827 24.356300 11.002300 17.099310 24.093000 -Oncoprotein level 0.140756 1.128547 1.817520 0.102169 1.123620 1.860550 -Base transition rate 0.000315 0.000436 0.000699 0.000322 0.000437 0.000717 -Transition rate 0.000007 0.000127 0.000437 0.000006 0.000126 0.000444 -Necrosis probability 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 - -Comparison for simulation 24: -Metric Mine Min Mine Avg Mine Max Paper Min Paper Avg Paper Max -------------------------------------------------------------------------------------------------- -Oxygen level 10.950700 16.951631 24.612200 10.774100 16.910248 23.825400 -Oncoprotein level 0.140756 1.132869 1.817520 0.102169 1.127700 1.860550 -Base transition rate 0.000315 0.000436 0.000699 0.000322 0.000437 0.000717 -Transition rate 0.000005 0.000124 0.000450 0.000004 0.000123 0.000426 -Necrosis probability 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 - -Comparison for simulation 25: -Metric Mine Min Mine Avg Mine Max Paper Min Paper Avg Paper Max -------------------------------------------------------------------------------------------------- -Oxygen level 10.661800 16.768649 24.502400 10.543000 16.735487 24.420600 -Oncoprotein level 0.140756 1.137370 1.817520 0.102169 1.132083 1.860550 -Base transition rate 0.000315 0.000436 0.000699 0.000322 0.000436 0.000717 -Transition rate 0.000004 0.000122 0.000422 0.000003 0.000120 0.000442 -Necrosis probability 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 - -Comparison for simulation 26: -Metric Mine Min Mine Avg Mine Max Paper Min Paper Avg Paper Max -------------------------------------------------------------------------------------------------- -Oxygen level 10.446200 16.585719 23.938500 10.328800 16.552484 23.967800 -Oncoprotein level 0.140756 1.141512 1.817520 0.102169 1.135809 1.860550 -Base transition rate 0.000315 0.000436 0.000699 0.000322 0.000436 0.000717 -Transition rate 0.000003 0.000119 0.000450 0.000002 0.000118 0.000431 -Necrosis probability 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 - -Comparison for simulation 27: -Metric Mine Min Mine Avg Mine Max Paper Min Paper Avg Paper Max -------------------------------------------------------------------------------------------------- -Oxygen level 10.012300 16.418778 23.772700 10.125400 16.389733 23.965400 -Oncoprotein level 0.140756 1.145541 1.817520 0.102169 1.139754 1.860550 -Base transition rate 0.000315 0.000436 0.000699 0.000318 0.000436 0.000717 -Transition rate 0.000000 0.000117 0.000452 0.000001 0.000115 0.000440 -Necrosis probability 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 - -Comparison for simulation 28: -Metric Mine Min Mine Avg Mine Max Paper Min Paper Avg Paper Max -------------------------------------------------------------------------------------------------- -Oxygen level 9.805190 16.261284 23.569100 9.922180 16.232386 24.125400 -Oncoprotein level 0.140756 1.149638 1.817520 0.102169 1.144059 1.860550 -Base transition rate 0.000315 0.000436 0.000699 0.000318 0.000436 0.000717 -Transition rate 0.000000 0.000114 0.000433 0.000000 0.000113 0.000424 -Necrosis probability 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 - -Comparison for simulation 29: -Metric Mine Min Mine Avg Mine Max Paper Min Paper Avg Paper Max -------------------------------------------------------------------------------------------------- -Oxygen level 9.600130 16.088548 23.912200 9.716580 16.068643 23.920200 -Oncoprotein level 0.140756 1.154091 1.817520 0.102169 1.148337 1.860550 -Base transition rate 0.000315 0.000436 0.000699 0.000318 0.000436 0.000717 -Transition rate 0.000000 0.000112 0.000427 0.000000 0.000111 0.000419 -Necrosis probability 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 - -Comparison for simulation 30: -Metric Mine Min Mine Avg Mine Max Paper Min Paper Avg Paper Max -------------------------------------------------------------------------------------------------- -Oxygen level 9.409560 15.925202 23.723300 9.519990 15.911264 23.623900 -Oncoprotein level 0.140756 1.158450 1.817520 0.102169 1.153024 1.860550 -Base transition rate 0.000315 0.000436 0.000699 0.000318 0.000436 0.000717 -Transition rate 0.000000 0.000109 0.000451 0.000000 0.000108 0.000419 -Necrosis probability 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 - -Comparison for simulation 31: -Metric Mine Min Mine Avg Mine Max Paper Min Paper Avg Paper Max -------------------------------------------------------------------------------------------------- -Oxygen level 9.225550 15.776761 23.784300 9.341730 15.761833 23.326900 -Oncoprotein level 0.140756 1.162948 1.817520 0.102169 1.157097 1.860550 -Base transition rate 0.000315 0.000436 0.000699 0.000318 0.000436 0.000717 -Transition rate 0.000000 0.000107 0.000456 0.000000 0.000106 0.000419 -Necrosis probability 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 - -Comparison for simulation 32: -Metric Mine Min Mine Avg Mine Max Paper Min Paper Avg Paper Max -------------------------------------------------------------------------------------------------- -Oxygen level 9.086410 15.636017 23.556500 9.164240 15.622604 23.389600 -Oncoprotein level 0.140756 1.167138 1.817520 0.102169 1.161487 1.860550 -Base transition rate 0.000315 0.000436 0.000699 0.000318 0.000436 0.000717 -Transition rate 0.000000 0.000105 0.000455 0.000000 0.000104 0.000411 -Necrosis probability 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 - -Comparison for simulation 33: -Metric Mine Min Mine Avg Mine Max Paper Min Paper Avg Paper Max -------------------------------------------------------------------------------------------------- -Oxygen level 9.070750 15.503244 23.385700 8.989210 15.487397 23.360600 -Oncoprotein level 0.140756 1.171375 1.817520 0.102169 1.166455 1.860550 -Base transition rate 0.000315 0.000436 0.000699 0.000318 0.000436 0.000717 -Transition rate 0.000000 0.000103 0.000434 0.000000 0.000102 0.000399 -Necrosis probability 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 - -Comparison for simulation 34: -Metric Mine Min Mine Avg Mine Max Paper Min Paper Avg Paper Max -------------------------------------------------------------------------------------------------- -Oxygen level 8.895440 15.373742 23.963800 8.810410 15.357498 23.237800 -Oncoprotein level 0.140756 1.175818 1.817520 0.102169 1.170871 1.860550 -Base transition rate 0.000315 0.000436 0.000699 0.000318 0.000436 0.000717 -Transition rate 0.000000 0.000102 0.000429 0.000000 0.000101 0.000421 -Necrosis probability 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 - -Comparison for simulation 35: -Metric Mine Min Mine Avg Mine Max Paper Min Paper Avg Paper Max -------------------------------------------------------------------------------------------------- -Oxygen level 8.713740 15.229996 23.767600 8.642020 15.224028 23.664100 -Oncoprotein level 0.140756 1.180412 1.817520 0.102169 1.175548 1.860550 -Base transition rate 0.000315 0.000436 0.000699 0.000318 0.000436 0.000717 -Transition rate 0.000000 0.000099 0.000418 0.000000 0.000099 0.000421 -Necrosis probability 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 - -Comparison for simulation 36: -Metric Mine Min Mine Avg Mine Max Paper Min Paper Avg Paper Max -------------------------------------------------------------------------------------------------- -Oxygen level 8.546280 15.101224 23.501400 8.473890 15.088911 23.509000 -Oncoprotein level 0.140756 1.184663 1.817520 0.102169 1.179978 1.860550 -Base transition rate 0.000315 0.000436 0.000699 0.000318 0.000436 0.000717 -Transition rate 0.000000 0.000098 0.000443 0.000000 0.000097 0.000427 -Necrosis probability 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 - -Comparison for simulation 37: -Metric Mine Min Mine Avg Mine Max Paper Min Paper Avg Paper Max -------------------------------------------------------------------------------------------------- -Oxygen level 8.381910 14.982520 23.331800 8.311440 14.960937 23.651600 -Oncoprotein level 0.140756 1.188685 1.817520 0.102169 1.184607 1.860550 -Base transition rate 0.000315 0.000436 0.000699 0.000318 0.000436 0.000717 -Transition rate 0.000000 0.000096 0.000432 0.000000 0.000095 0.000424 -Necrosis probability 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 - -Comparison for simulation 38: -Metric Mine Min Mine Avg Mine Max Paper Min Paper Avg Paper Max -------------------------------------------------------------------------------------------------- -Oxygen level 8.220090 14.859537 23.428100 8.152960 14.843803 23.658300 -Oncoprotein level 0.140756 1.192936 1.817520 0.102169 1.189061 1.860550 -Base transition rate 0.000315 0.000436 0.000699 0.000318 0.000436 0.000717 -Transition rate 0.000000 0.000094 0.000431 0.000000 0.000094 0.000404 -Necrosis probability 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 - -Comparison for simulation 39: -Metric Mine Min Mine Avg Mine Max Paper Min Paper Avg Paper Max -------------------------------------------------------------------------------------------------- -Oxygen level 8.065090 14.738817 23.858600 8.000030 14.726177 23.531100 -Oncoprotein level 0.140756 1.196930 1.817520 0.102169 1.193428 1.860550 -Base transition rate 0.000315 0.000436 0.000699 0.000318 0.000436 0.000717 -Transition rate 0.000000 0.000093 0.000422 0.000000 0.000092 0.000421 -Necrosis probability 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 - -Comparison for simulation 40: -Metric Mine Min Mine Avg Mine Max Paper Min Paper Avg Paper Max -------------------------------------------------------------------------------------------------- -Oxygen level 7.929770 14.624788 23.480800 7.859790 14.604976 23.614500 -Oncoprotein level 0.140756 1.200701 1.817520 0.102169 1.197624 1.860550 -Base transition rate 0.000315 0.000436 0.000699 0.000318 0.000436 0.000717 -Transition rate 0.000000 0.000091 0.000408 0.000000 0.000090 0.000424 -Necrosis probability 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 - -Comparison for simulation 41: -Metric Mine Min Mine Avg Mine Max Paper Min Paper Avg Paper Max -------------------------------------------------------------------------------------------------- -Oxygen level 7.782320 14.515849 23.527400 7.721980 14.504715 23.585400 -Oncoprotein level 0.140756 1.204858 1.817520 0.102169 1.202333 1.860550 -Base transition rate 0.000315 0.000436 0.000699 0.000318 0.000436 0.000717 -Transition rate 0.000000 0.000090 0.000435 0.000000 0.000089 0.000407 -Necrosis probability 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 - -Comparison for simulation 42: -Metric Mine Min Mine Avg Mine Max Paper Min Paper Avg Paper Max -------------------------------------------------------------------------------------------------- -Oxygen level 7.694630 14.411982 23.522100 7.586420 14.398103 23.766300 -Oncoprotein level 0.140756 1.209438 1.817520 0.102169 1.207264 1.860550 -Base transition rate 0.000315 0.000436 0.000699 0.000318 0.000436 0.000717 -Transition rate 0.000000 0.000088 0.000416 0.000000 0.000088 0.000423 -Necrosis probability 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 - -Comparison for simulation 43: -Metric Mine Min Mine Avg Mine Max Paper Min Paper Avg Paper Max -------------------------------------------------------------------------------------------------- -Oxygen level 7.559120 14.305111 23.925900 7.449100 14.297170 23.666200 -Oncoprotein level 0.140756 1.213490 1.817520 0.102169 1.212126 1.860550 -Base transition rate 0.000315 0.000436 0.000699 0.000318 0.000436 0.000717 -Transition rate 0.000000 0.000087 0.000459 0.000000 0.000087 0.000436 -Necrosis probability 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 - -Comparison for simulation 44: -Metric Mine Min Mine Avg Mine Max Paper Min Paper Avg Paper Max -------------------------------------------------------------------------------------------------- -Oxygen level 7.418110 14.208175 23.603400 7.315780 14.195608 23.679500 -Oncoprotein level 0.140756 1.217457 1.817520 0.102169 1.216743 1.860550 -Base transition rate 0.000315 0.000436 0.000699 0.000318 0.000436 0.000717 -Transition rate 0.000000 0.000086 0.000448 0.000000 0.000086 0.000430 -Necrosis probability 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 - -Comparison for simulation 45: -Metric Mine Min Mine Avg Mine Max Paper Min Paper Avg Paper Max -------------------------------------------------------------------------------------------------- -Oxygen level 7.287400 14.107919 23.338600 7.184130 14.098754 23.963500 -Oncoprotein level 0.140756 1.221697 1.817520 0.102169 1.221128 1.860550 -Base transition rate 0.000301 0.000436 0.000699 0.000318 0.000436 0.000717 -Transition rate 0.000000 0.000085 0.000437 0.000000 0.000084 0.000446 -Necrosis probability 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 - -Comparison for simulation 46: -Metric Mine Min Mine Avg Mine Max Paper Min Paper Avg Paper Max -------------------------------------------------------------------------------------------------- -Oxygen level 7.159020 14.008119 23.703500 7.059440 14.002697 23.590600 -Oncoprotein level 0.140756 1.225957 1.817520 0.102169 1.225892 1.860550 -Base transition rate 0.000301 0.000436 0.000703 0.000318 0.000436 0.000717 -Transition rate 0.000000 0.000083 0.000436 0.000000 0.000083 0.000440 -Necrosis probability 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 - -Comparison for simulation 47: -Metric Mine Min Mine Avg Mine Max Paper Min Paper Avg Paper Max -------------------------------------------------------------------------------------------------- -Oxygen level 7.028330 13.915995 23.772800 6.935010 13.909840 23.970200 -Oncoprotein level 0.140756 1.230287 1.817520 0.102169 1.231216 1.860550 -Base transition rate 0.000301 0.000436 0.000703 0.000318 0.000436 0.000717 -Transition rate 0.000000 0.000082 0.000423 0.000000 0.000082 0.000445 -Necrosis probability 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 - -Comparison for simulation 48: -Metric Mine Min Mine Avg Mine Max Paper Min Paper Avg Paper Max -------------------------------------------------------------------------------------------------- -Oxygen level 6.898240 13.830166 23.588900 6.815350 13.817463 24.617300 -Oncoprotein level 0.140756 1.234567 1.817520 0.102169 1.236088 1.860550 -Base transition rate 0.000301 0.000436 0.000703 0.000318 0.000436 0.000717 -Transition rate 0.000000 0.000082 0.000408 0.000000 0.000081 0.000455 -Necrosis probability 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 - -Comparison for simulation 49: -Metric Mine Min Mine Avg Mine Max Paper Min Paper Avg Paper Max -------------------------------------------------------------------------------------------------- -Oxygen level 6.792790 13.737205 23.481000 6.698440 13.731181 24.589000 -Oncoprotein level 0.140756 1.238894 1.817520 0.102169 1.240855 1.860550 -Base transition rate 0.000301 0.000436 0.000703 0.000318 0.000436 0.000717 -Transition rate 0.000000 0.000080 0.000413 0.000000 0.000081 0.000450 -Necrosis probability 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 - -Comparison for simulation 50: -Metric Mine Min Mine Avg Mine Max Paper Min Paper Avg Paper Max -------------------------------------------------------------------------------------------------- -Oxygen level 6.676380 13.653097 24.843200 6.580280 13.645607 24.119000 -Oncoprotein level 0.140756 1.243168 1.817520 0.102169 1.245594 1.860550 -Base transition rate 0.000301 0.000436 0.000703 0.000318 0.000436 0.000717 -Transition rate 0.000000 0.000080 0.000407 0.000000 0.000080 0.000476 -Necrosis probability 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 - -Comparison for simulation 51: -Metric Mine Min Mine Avg Mine Max Paper Min Paper Avg Paper Max -------------------------------------------------------------------------------------------------- -Oxygen level 6.560490 13.569002 24.405400 6.464580 13.564597 24.276000 -Oncoprotein level 0.140756 1.247355 1.817520 0.102169 1.250754 1.860550 -Base transition rate 0.000301 0.000436 0.000703 0.000318 0.000436 0.000717 -Transition rate 0.000000 0.000079 0.000432 0.000000 0.000079 0.000482 -Necrosis probability 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 - -Comparison for simulation 52: -Metric Mine Min Mine Avg Mine Max Paper Min Paper Avg Paper Max -------------------------------------------------------------------------------------------------- -Oxygen level 6.447430 13.493650 24.052400 6.354030 13.480191 24.448300 -Oncoprotein level 0.140756 1.251507 1.817520 0.102169 1.255656 1.860550 -Base transition rate 0.000301 0.000436 0.000703 0.000318 0.000436 0.000717 -Transition rate 0.000000 0.000078 0.000424 0.000000 0.000078 0.000463 -Necrosis probability 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 - -Comparison for simulation 53: -Metric Mine Min Mine Avg Mine Max Paper Min Paper Avg Paper Max -------------------------------------------------------------------------------------------------- -Oxygen level 6.337270 13.415935 24.146700 6.248710 13.405737 24.997500 -Oncoprotein level 0.140756 1.255699 1.817520 0.102169 1.260689 1.860550 -Base transition rate 0.000301 0.000436 0.000703 0.000318 0.000436 0.000717 -Transition rate 0.000000 0.000077 0.000437 0.000000 0.000078 0.000459 -Necrosis probability 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 - -Comparison for simulation 54: -Metric Mine Min Mine Avg Mine Max Paper Min Paper Avg Paper Max -------------------------------------------------------------------------------------------------- -Oxygen level 6.226590 13.344086 23.835400 6.140590 13.331262 24.457400 -Oncoprotein level 0.140756 1.259812 1.817520 0.102169 1.266005 1.860550 -Base transition rate 0.000301 0.000436 0.000703 0.000318 0.000436 0.000717 -Transition rate 0.000000 0.000077 0.000449 0.000000 0.000077 0.000483 -Necrosis probability 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 - -Comparison for simulation 55: -Metric Mine Min Mine Avg Mine Max Paper Min Paper Avg Paper Max -------------------------------------------------------------------------------------------------- -Oxygen level 6.120950 13.265365 24.143700 6.033240 13.258492 24.938100 -Oncoprotein level 0.140756 1.264034 1.817520 0.102169 1.271387 1.860550 -Base transition rate 0.000301 0.000436 0.000703 0.000318 0.000436 0.000717 -Transition rate 0.000000 0.000076 0.000438 0.000000 0.000076 0.000490 -Necrosis probability 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 - -Comparison for simulation 56: -Metric Mine Min Mine Avg Mine Max Paper Min Paper Avg Paper Max -------------------------------------------------------------------------------------------------- -Oxygen level 6.016760 13.196059 24.303400 5.926810 13.181925 24.723800 -Oncoprotein level 0.140756 1.268370 1.817520 0.102169 1.276952 1.860550 -Base transition rate 0.000301 0.000436 0.000703 0.000318 0.000436 0.000717 -Transition rate 0.000000 0.000075 0.000439 0.000000 0.000076 0.000478 -Necrosis probability 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 - -Comparison for simulation 57: -Metric Mine Min Mine Avg Mine Max Paper Min Paper Avg Paper Max -------------------------------------------------------------------------------------------------- -Oxygen level 5.910850 13.129018 24.023800 5.826400 13.108538 25.264200 -Oncoprotein level 0.140756 1.272781 1.817520 0.102169 1.282126 1.860550 -Base transition rate 0.000301 0.000436 0.000703 0.000318 0.000436 0.000717 -Transition rate 0.000000 0.000075 0.000439 0.000000 0.000075 0.000510 -Necrosis probability 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 - -Comparison for simulation 58: -Metric Mine Min Mine Avg Mine Max Paper Min Paper Avg Paper Max -------------------------------------------------------------------------------------------------- -Oxygen level 5.810160 13.059799 24.228000 5.726880 13.044158 25.611300 -Oncoprotein level 0.140756 1.276979 1.817520 0.102169 1.287362 1.860550 -Base transition rate 0.000301 0.000436 0.000703 0.000318 0.000436 0.000717 -Transition rate 0.000000 0.000074 0.000468 0.000000 0.000075 0.000515 -Necrosis probability 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 - -Comparison for simulation 59: -Metric Mine Min Mine Avg Mine Max Paper Min Paper Avg Paper Max -------------------------------------------------------------------------------------------------- -Oxygen level 5.708260 12.997844 24.777100 5.630130 12.979740 25.426500 -Oncoprotein level 0.140756 1.281323 1.817520 0.102169 1.292599 1.860550 -Base transition rate 0.000301 0.000436 0.000703 0.000318 0.000436 0.000717 -Transition rate 0.000000 0.000074 0.000499 0.000000 0.000074 0.000505 -Necrosis probability 0.000000 0.000000 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except in compliance with the License. -You may obtain a copy of the License at - - http://www.apache.org/licenses/LICENSE-2.0 - SPDX-License-Identifier: Apache-2.0 - -Unless required by applicable law or agreed to in writing, software -distributed under the License is distributed on an "AS IS" BASIS, -WITHOUT WARRANTIES OR CONDITIONS OF ANY KIND, either express or implied. -See the License for the specific language governing permissions and -limitations under the License. - -This file contains a model developed under Google Summer of Code (GSoC) -for the compiler-research.org organization. -""" - -import pandas as pd -import matplotlib.pyplot as plt - -# Read CSV files -df_mine = pd.read_csv('forces.csv', header=None) -df_mine_positive = df_mine[df_mine.iloc[:, 1] >= 0] - -df_theirs = pd.read_csv('fuerzas.csv', header=None) -df_theirs.iloc[:, 0] = df_theirs.iloc[:, 0] - 0.1 -df_theirs_positive = df_theirs[df_theirs.iloc[:, 1] >= 0] -# Define column names for clarity -# Column 0: time, Columns 1-3: coordinate_x, coordinate_y, coordinate_z -# Columns 4-6: not relevant, Column 7: displacement_norm - -# Create figure with 4 subplots -fig, ((ax1, ax2), (ax3, ax4)) = plt.subplots(2, 2, figsize=(12, 10)) - -# Plot 1: Time vs Coordinate X -ax1.plot(df_mine_positive.iloc[:, 0], df_mine_positive.iloc[:, 1], - color='blue', label='CARTopiaX data', linewidth=2, linestyle='-') -ax1.plot(df_theirs_positive.iloc[:, 0], df_theirs_positive.iloc[:, 1], - color='red', label='Nature Paper data', linewidth=2, linestyle='--') -ax1.set_xlabel('Time') -ax1.set_ylabel('Coordinate X') -ax1.set_title('Time vs Coordinate X') -ax1.legend() -ax1.grid(True, alpha=0.3) - -# Plot 2: Time vs Coordinate Y -ax2.plot(df_mine_positive.iloc[:, 0], df_mine_positive.iloc[:, 2], - color='blue', label='My data', linewidth=2, linestyle='-') -ax2.plot(df_theirs_positive.iloc[:, 0], df_theirs_positive.iloc[:, 2], - color='red', label='Their data', linewidth=2, linestyle='--') -ax2.set_xlabel('Time') -ax2.set_ylabel('Coordinate Y') -ax2.set_title('Time vs Coordinate Y') -ax2.legend() -ax2.grid(True, alpha=0.3) - -# Plot 3: Time vs Coordinate Z -ax3.plot(df_mine_positive.iloc[:, 0], df_mine_positive.iloc[:, 3], - color='blue', label='My data', linewidth=2, linestyle='-') -ax3.plot(df_theirs_positive.iloc[:, 0], df_theirs_positive.iloc[:, 3], - color='red', label='Their data', linewidth=2, linestyle='--') -ax3.set_xlabel('Time') -ax3.set_ylabel('Coordinate Z') -ax3.set_title('Time vs Coordinate Z') -ax3.legend() -ax3.grid(True, alpha=0.3) - -# Plot 4: Time vs Displacement Norm -ax4.plot(df_mine_positive.iloc[:, 0], df_mine_positive.iloc[:, 7], - color='blue', label='My data', linewidth=2, linestyle='-') -ax4.plot(df_theirs_positive.iloc[:, 0], df_theirs_positive.iloc[:, 7], - color='red', label='Their data', linewidth=2, linestyle='--') -ax4.set_xlabel('Time') -ax4.set_ylabel('Displacement Norm') -ax4.set_title('Time vs Displacement Norm') -ax4.legend() -ax4.grid(True, alpha=0.3) - -# Adjust layout to prevent overlapping -plt.tight_layout() - -# Save the figure -plt.savefig('force_comparison_plots_fixed_cell_volume_adhesion.png', dpi=300, bbox_inches='tight') -print("Plot saved") - diff --git a/draft_code_my_own_analysis/plot_num_cells_nad_radius.py b/draft_code_my_own_analysis/plot_num_cells_nad_radius.py deleted file mode 100644 index 50a04f9..0000000 --- a/draft_code_my_own_analysis/plot_num_cells_nad_radius.py +++ /dev/null @@ -1,74 +0,0 @@ -""" -Copyright 2025 compiler-research.org, Salvador de la Torre Gonzalez, Luciana Melina Luque - -Licensed under the Apache License, Version 2.0 (the "License"); -you may not use this file except in compliance with the License. -You may obtain a copy of the License at - - http://www.apache.org/licenses/LICENSE-2.0 - SPDX-License-Identifier: Apache-2.0 - -Unless required by applicable law or agreed to in writing, software -distributed under the License is distributed on an "AS IS" BASIS, -WITHOUT WARRANTIES OR CONDITIONS OF ANY KIND, either express or implied. -See the License for the specific language governing permissions and -limitations under the License. - -This file contains a model developed under Google Summer of Code (GSoC) -for the compiler-research.org organization. -""" - -import pandas as pd -import matplotlib.pyplot as plt -import os -import numpy as np - -# Paths to the data files -csv_data_path = 'final_data.csv' -dat_data_path = 'DatosFinales.dat' -days = 30.1 - -# Read the CSV data -df_csv = pd.read_csv(csv_data_path) - -column_names = ['#tiempo', 'volumen', 'volumen2', 'radio', 'celulas tumorales', - 'celulas muertas', 'tumor_muerto', 'todas las celulas'] -df_dat = pd.read_csv(dat_data_path, sep=' ', names=column_names, skiprows=1) - -df_dat['#tiempo'] = pd.to_numeric(df_dat['#tiempo']) - -df_dat['total_days'] = df_dat['#tiempo'] / 1440 # 1440 minutes in a day - -filtered_df_csv = df_csv[df_csv['total_days'] <= days] -filtered_df_dat = df_dat[df_dat['total_days'] <= days] - -fig, ax1 = plt.subplots(figsize=(10, 6)) - -color1 = 'blue' -ax1.set_xlabel('Time (days)') -ax1.set_ylabel('Tumor Radius', color=color1) -ax1.plot(filtered_df_csv['total_days'], filtered_df_csv['tumor_radius'], - color=color1, marker='o', label='Tumor Radius: CARTopiaX') -ax1.plot(filtered_df_dat['total_days'], filtered_df_dat['radio'], - color=color1, linestyle='--', marker='x', label='Tumor Radius: Model from Nature paper') -ax1.tick_params(axis='y', labelcolor=color1) - -ax2 = ax1.twinx() -color2 = 'red' -ax2.set_ylabel('Number of Cells', color=color2) -ax2.plot(filtered_df_csv['total_days'], filtered_df_csv['num_cells'], - color=color2, marker='s', label='Number of Cells: Model in BioDynaMo') -ax2.plot(filtered_df_dat['total_days'], filtered_df_dat['todas las celulas'], - color=color2, linestyle='--', marker='+', label='Number of Cells: Model from Nature paper') -ax2.tick_params(axis='y', labelcolor=color2) - -lines1, labels1 = ax1.get_legend_handles_labels() -lines2, labels2 = ax2.get_legend_handles_labels() -ax1.legend(lines1 + lines2, labels1 + labels2, loc='best') - -plt.title('Tumor Radius and Cell Count over Time') - -plt.tight_layout() -plt.grid(True, linestyle='--', alpha=0.7) -plt.savefig('./no_cart_free_oxygen_free_oncoproteine_free_random_rate_tumor_radius_and_cells_comparison.png', dpi=300) -print("Plot saved") \ No newline at end of file diff --git a/draft_code_my_own_analysis/plot_oncoproteine_and_oxygen_levels.py b/draft_code_my_own_analysis/plot_oncoproteine_and_oxygen_levels.py deleted file mode 100644 index 9d438cb..0000000 --- a/draft_code_my_own_analysis/plot_oncoproteine_and_oxygen_levels.py +++ /dev/null @@ -1,102 +0,0 @@ -""" -Copyright 2025 compiler-research.org, Salvador de la Torre Gonzalez, Luciana Melina Luque - -Licensed under the Apache License, Version 2.0 (the "License"); -you may not use this file except in compliance with the License. -You may obtain a copy of the License at - - http://www.apache.org/licenses/LICENSE-2.0 - SPDX-License-Identifier: Apache-2.0 - -Unless required by applicable law or agreed to in writing, software -distributed under the License is distributed on an "AS IS" BASIS, -WITHOUT WARRANTIES OR CONDITIONS OF ANY KIND, either express or implied. -See the License for the specific language governing permissions and -limitations under the License. - -This file contains a model developed under Google Summer of Code (GSoC) -for the compiler-research.org organization. -""" - -import pandas as pd -import matplotlib.pyplot as plt -import numpy as np - -# Configuration -num_files = 60 # Files from 0 to 59 -time_interval = 0.5 # Each file represents half a day - -# Initialize lists to store data -days = [] -oxygen_mine = [] -oxygen_paper = [] -oncoproteine_mine = [] -oncoproteine_paper = [] - -# Read data from all files -for i in range(num_files): - # Calculate the day for this file - day = i * time_interval - days.append(day) - - try: - # Read data from processed CSV files - df_mine = pd.read_csv(f'processed/simulation_data_CARTopiaX{i}_processed.csv') - df_paper = pd.read_csv(f'processed/simulation_data{i}_processed.csv') - - # Extract average values for plotting - oxygen_mine.append(df_mine['avg_oxygen_level'].iloc[0]) - oxygen_paper.append(df_paper['avg_oxygen_level'].iloc[0]) - oncoproteine_mine.append(df_mine['avg_oncoproteine_level'].iloc[0]) - oncoproteine_paper.append(df_paper['avg_oncoproteine_level'].iloc[0]) - - except FileNotFoundError: - print(f"Warning: File for simulation {i} not found, skipping...") - # Remove the day we just added if file doesn't exist - days.pop() - -# Create the plot -fig, ax1 = plt.subplots(figsize=(12, 8)) - -# Plot oxygen levels on the primary y-axis -color1 = 'blue' -ax1.set_xlabel('Time (days)') -ax1.set_ylabel('Average Oxygen Level', color=color1) -ax1.plot(days, oxygen_mine, color=color1, marker='o', markersize=4, - label='Average Oxygen Level: Model in BioDynaMo', linewidth=2) -ax1.plot(days, oxygen_paper, color=color1, linestyle='--', marker='x', markersize=4, - label='Average Oxygen Level: Model from Nature paper', linewidth=2) -ax1.tick_params(axis='y', labelcolor=color1) - -# Create secondary y-axis for oncoproteine levels -ax2 = ax1.twinx() -color2 = 'red' -ax2.set_ylabel('Average Oncoprotein Level', color=color2) -ax2.plot(days, oncoproteine_mine, color=color2, marker='s', markersize=4, - label='Average Oncoprotein Level: Model in BioDynaMo', linewidth=2) -ax2.plot(days, oncoproteine_paper, color=color2, linestyle='--', marker='+', markersize=4, - label='Average Oncoprotein Level: Model from Nature paper', linewidth=2) -ax2.tick_params(axis='y', labelcolor=color2) - -# Combine legends from both axes and position at top center -lines1, labels1 = ax1.get_legend_handles_labels() -lines2, labels2 = ax2.get_legend_handles_labels() -ax1.legend(lines1 + lines2, labels1 + labels2, loc='upper center', bbox_to_anchor=(0.5, 1.0), ncol=2) - -# Set title and formatting -plt.title('Oxygen and Oncoprotein Levels over Time Comparison', fontsize=14, fontweight='bold') -plt.tight_layout() -plt.grid(True, linestyle='--', alpha=0.7) - -# Save the plot -plt.savefig('./no_cart_oxygen_oncoproteine_comparison.png', dpi=300, bbox_inches='tight') -print("Plot saved as 'no_cart_oxygen_oncoproteine_comparison.png'") -plt.show() - -# Print summary statistics -print(f"\nSummary Statistics:") -print(f"Time range: {min(days):.1f} to {max(days):.1f} days") -print(f"Oxygen - Model in BioDynaMo: min={min(oxygen_mine):.6f}, max={max(oxygen_mine):.6f}, avg={np.mean(oxygen_mine):.6f}") -print(f"Oxygen - Model from Nature paper: min={min(oxygen_paper):.6f}, max={max(oxygen_paper):.6f}, avg={np.mean(oxygen_paper):.6f}") -print(f"Oncoproteine - Model in BioDynaMo: min={min(oncoproteine_mine):.6f}, max={max(oncoproteine_mine):.6f}, avg={np.mean(oncoproteine_mine):.6f}") -print(f"Oncoproteine - Model from Nature paper: min={min(oncoproteine_paper):.6f}, max={max(oncoproteine_paper):.6f}, avg={np.mean(oncoproteine_paper):.6f}") \ No newline at end of file diff --git a/draft_code_my_own_analysis/plot_oxygen_density.py b/draft_code_my_own_analysis/plot_oxygen_density.py deleted file mode 100644 index 011f394..0000000 --- a/draft_code_my_own_analysis/plot_oxygen_density.py +++ /dev/null @@ -1,75 +0,0 @@ -""" -Copyright 2025 compiler-research.org, Salvador de la Torre Gonzalez, Luciana Melina Luque - -Licensed under the Apache License, Version 2.0 (the "License"); -you may not use this file except in compliance with the License. -You may obtain a copy of the License at - - http://www.apache.org/licenses/LICENSE-2.0 - SPDX-License-Identifier: Apache-2.0 - -Unless required by applicable law or agreed to in writing, software -distributed under the License is distributed on an "AS IS" BASIS, -WITHOUT WARRANTIES OR CONDITIONS OF ANY KIND, either express or implied. -See the License for the specific language governing permissions and -limitations under the License. - -This file contains a model developed under Google Summer of Code (GSoC) -for the compiler-research.org organization. -""" - -import pandas as pd -import os -import seaborn as sns -import matplotlib.pyplot as plt -import numpy as np - - -df_theirs = pd.read_csv("./simulation_data_theirs11.csv", - names=['oxygen_level', 'oncoproteine_level', 'base_transition_rate', - 'final_rate_transition', 'probability_necrosis']) -df_mine = pd.read_csv("./simulation_data_mine12.csv", - names=['oxygen_level', 'oncoproteine_level', 'base_transition_rate', - 'final_rate_transition', 'probability_necrosis']) - - -plt.figure(figsize=(10, 6)) -# Create normalized density plots for both datasets -sns.kdeplot(df_theirs['oxygen_level'], fill=True, alpha=0.6, label='Theirs', color='blue') -sns.kdeplot(df_mine['oxygen_level'], fill=True, alpha=0.6, label='Mine', color='red') - -# Calculate means -mean_theirs = df_theirs['oxygen_level'].mean() -mean_mine = df_mine['oxygen_level'].mean() - -# Add vertical lines for means -plt.axvline(mean_theirs, color='blue', linestyle='--', alpha=0.8, linewidth=2) -plt.axvline(mean_mine, color='red', linestyle='--', alpha=0.8, linewidth=2) - -# Add text annotations for means -plt.text(mean_theirs, plt.ylim()[1]*0.9, f'Mean (Theirs): {mean_theirs:.2f}', - rotation=90, verticalalignment='top', color='black', fontsize=10, fontweight='bold') -plt.text(mean_mine, plt.ylim()[1]*0.5, f'Mean (Mine): {mean_mine:.2f}', - rotation=90, verticalalignment='top', color='black', fontsize=10, fontweight='bold') - -plt.xlabel('Oxygen Level') -plt.ylabel('Probability Density') -plt.title('Comparison of Oxygen Level') -plt.legend() -plt.grid(True, alpha=0.3) -plt.tight_layout() - -# Save the plot -# plt.savefig('oxygen_no_force_without_consumption.png', dpi=300, bbox_inches='tight') -plt.show() - -# Compare statistics for both datasets -print("=== THEIRS ===") -print(f"Data range: {df_theirs['oxygen_level'].min():.2f} to {df_theirs['oxygen_level'].max():.2f}") -print(f"Mean: {df_theirs['oxygen_level'].mean():.2f}") -print(f"Standard deviation: {df_theirs['oxygen_level'].std():.2f}") - -print("\n=== MINE ===") -print(f"Data range: {df_mine['oxygen_level'].min():.2f} to {df_mine['oxygen_level'].max():.2f}") -print(f"Mean: {df_mine['oxygen_level'].mean():.2f}") -print(f"Standard deviation: {df_mine['oxygen_level'].std():.2f}") \ No newline at end of file diff --git a/draft_code_my_own_analysis/plot_type_of_cells.py b/draft_code_my_own_analysis/plot_type_of_cells.py deleted file mode 100644 index 401fca3..0000000 --- a/draft_code_my_own_analysis/plot_type_of_cells.py +++ /dev/null @@ -1,98 +0,0 @@ -""" -Copyright 2025 compiler-research.org, Salvador de la Torre Gonzalez, Luciana Melina Luque - -Licensed under the Apache License, Version 2.0 (the "License"); -you may not use this file except in compliance with the License. -You may obtain a copy of the License at - - http://www.apache.org/licenses/LICENSE-2.0 - SPDX-License-Identifier: Apache-2.0 - -Unless required by applicable law or agreed to in writing, software -distributed under the License is distributed on an "AS IS" BASIS, -WITHOUT WARRANTIES OR CONDITIONS OF ANY KIND, either express or implied. -See the License for the specific language governing permissions and -limitations under the License. - -This file contains a model developed under Google Summer of Code (GSoC) -for the compiler-research.org organization. -""" - -import pandas as pd -import matplotlib.pyplot as plt - -# Read the CSV file -df = pd.read_csv('./final_data.csv') - -# Calculate percentages for our model data -df['type1_percentage'] = 100 * df['tumor_cells_type1'] / df['num_tumor_cells'] -df['type2_percentage'] = 100 * df['tumor_cells_type2'] / df['num_tumor_cells'] -df['type3_percentage'] = 100 * df['tumor_cells_type3'] / df['num_tumor_cells'] -df['type4_percentage'] = 100 * df['tumor_cells_type4'] / df['num_tumor_cells'] - -# Nature Paper data - days and data processing -days = [0,719,1439,2160,2880,3600,4320,5040,5760,6480,7200,7920,8640,9360,10080,10800,11520,12240,12960,13680,14400,15120,15840,16560,17280,18000,18719,19439,20159,20879,21599,22319,23039,23759,24479,25199,25919,26639,27359,28079,28799,29519,30239,30959,31679,32399,33119,33839,34559,35279,35999,36719,37439,38159,38879,39599,40319,41039,41759,42479,43199] - -quantities_type1 = [] -quantities_type2 = [] -quantities_type3 = [] -quantities_type4 = [] -time_days = [] - -for i in range(0, len(days)): - file_path = 'Datos_{}.xyz'.format(days[i]) - - # Read data file - data = pd.read_csv('./'+file_path+'', sep=" ", skiprows=1, header=None) - data.columns = ["a", "b", "c", "d", "e", "f", "g", "h", "i", "j", "k", "l", "m", "n", "o", "p", "q"] - - count_type1 = 0 - count_type2 = 0 - count_type3 = 0 - count_type4 = 0 - count_type0 = 0 - - # Count cells by type - for j in range(0, len(data)): - if data.m[j] == 1: - count_type1 += 1 - elif data.m[j] == 2: - count_type2 += 1 - elif data.m[j] == 3: - count_type3 += 1 - elif data.m[j] == 4: - count_type4 += 1 - elif data.m[j] == 0: - count_type0 += 1 - - # Calculate percentages - total_tumor_cells = count_type1 + count_type2 + count_type3 + count_type4 - quantities_type1.append(100 * count_type1 / total_tumor_cells) - quantities_type2.append(100 * count_type2 / total_tumor_cells) - quantities_type3.append(100 * count_type3 / total_tumor_cells) - quantities_type4.append(100 * count_type4 / total_tumor_cells) - time_days.append(days[i] / 1440) # Convert to days - -# Plot the number of cells of each type over time (types 1-4) -plt.figure(figsize=(10, 6)) - -# Our model data (solid lines) - now as percentages -plt.plot(df['total_days'], df['type1_percentage'], color='darkred', label='Type 1 (CARTopiaX)', linewidth=2) -plt.plot(df['total_days'], df['type2_percentage'], color='red', label='Type 2 (CARTopiaX)', linewidth=2) -plt.plot(df['total_days'], df['type3_percentage'], color='darkorange', label='Type 3 (CARTopiaX)', linewidth=2) -plt.plot(df['total_days'], df['type4_percentage'], color='gold', label='Type 4 (CARTopiaX)', linewidth=2) - -# Nature Paper data (dashed lines) -plt.plot(time_days, quantities_type1, color='darkred', linestyle='--', label='Type 1 (Model from Nature paper)', linewidth=2) -plt.plot(time_days, quantities_type2, color='red', linestyle='--', label='Type 2 (Model from Nature paper)', linewidth=2) -plt.plot(time_days, quantities_type3, color='darkorange', linestyle='--', label='Type 3 (Model from Nature paper)', linewidth=2) -plt.plot(time_days, quantities_type4, color='gold', linestyle='--', label='Type 4 (Model from Nature paper)', linewidth=2) - -plt.xlabel('Time (days)') -plt.ylabel('Cell types [%]') -plt.title('Tumor Cell Types Comparison: no CAR-T involved') -plt.legend(bbox_to_anchor=(1.05, 1), loc='upper left') -plt.grid(True) -plt.tight_layout() -plt.savefig('./no_cart_free_oxygen_free_oncoproteine_free_random_rate_tumor_cell_types_comparison.png', dpi=300) -print("Plot saved") \ No newline at end of file diff --git a/draft_code_my_own_analysis/process_csv_files.py b/draft_code_my_own_analysis/process_csv_files.py deleted file mode 100644 index b373357..0000000 --- a/draft_code_my_own_analysis/process_csv_files.py +++ /dev/null @@ -1,84 +0,0 @@ -""" -Copyright 2025 compiler-research.org, Salvador de la Torre Gonzalez, Luciana Melina Luque - -Licensed under the Apache License, Version 2.0 (the "License"); -you may not use this file except in compliance with the License. -You may obtain a copy of the License at - - http://www.apache.org/licenses/LICENSE-2.0 - SPDX-License-Identifier: Apache-2.0 - -Unless required by applicable law or agreed to in writing, software -distributed under the License is distributed on an "AS IS" BASIS, -WITHOUT WARRANTIES OR CONDITIONS OF ANY KIND, either express or implied. -See the License for the specific language governing permissions and -limitations under the License. - -This file contains a model developed under Google Summer of Code (GSoC) -for the compiler-research.org organization. -""" - -import pandas as pd -import os - -name = 'simulation_data' #simulation_data_mine #simulation_data_theirs -num_files = 60 -def process_csv_file(input_filename, output_filename): - """ - Process a CSV file to calculate min, avg, max for each column - and save to a new CSV with '_processed' suffix - """ - # Read the original CSV - df = pd.read_csv(input_filename, - names=['oxygen_level', 'oncoproteine_level', 'base_transition_rate', - 'final_rate_transition', 'probability_necrosis']) - - # Calculate statistics - min_vals = df.min() - mean_vals = df.mean() - max_vals = df.max() - - # Create processed data with 15 columns (min, avg, max for each of 5 metrics) - processed_data = { - 'min_oxygen_level': [min_vals['oxygen_level']], - 'avg_oxygen_level': [mean_vals['oxygen_level']], - 'max_oxygen_level': [max_vals['oxygen_level']], - 'min_oncoproteine_level': [min_vals['oncoproteine_level']], - 'avg_oncoproteine_level': [mean_vals['oncoproteine_level']], - 'max_oncoproteine_level': [max_vals['oncoproteine_level']], - 'min_base_transition_rate': [min_vals['base_transition_rate']], - 'avg_base_transition_rate': [mean_vals['base_transition_rate']], - 'max_base_transition_rate': [max_vals['base_transition_rate']], - 'min_final_rate_transition': [min_vals['final_rate_transition']], - 'avg_final_rate_transition': [mean_vals['final_rate_transition']], - 'max_final_rate_transition': [max_vals['final_rate_transition']], - 'min_probability_necrosis': [min_vals['probability_necrosis']], - 'avg_probability_necrosis': [mean_vals['probability_necrosis']], - 'max_probability_necrosis': [max_vals['probability_necrosis']] - } - - # Create DataFrame and save - processed_df = pd.DataFrame(processed_data) - processed_df.to_csv(output_filename, index=False) - print(f"Processed {input_filename} -> {output_filename}") - -def read_processed_csv(filename): - """ - Read a processed CSV file and return the DataFrame - """ - return pd.read_csv(filename) - -def main(): - for i in range(num_files): - input_file = f'{name}{i}.csv' - output_file = f'processed/{name}{i}_processed.csv' - - if os.path.exists(input_file): - process_csv_file(input_file, output_file) - else: - print(f"Warning: {input_file} not found") - - print("\nProcessing complete!") - -if __name__ == "__main__": - main() \ No newline at end of file diff --git a/draft_code_my_own_analysis/read_csv_to_compare_levels.py b/draft_code_my_own_analysis/read_csv_to_compare_levels.py deleted file mode 100644 index 63412cf..0000000 --- a/draft_code_my_own_analysis/read_csv_to_compare_levels.py +++ /dev/null @@ -1,102 +0,0 @@ -""" -Copyright 2025 compiler-research.org, Salvador de la Torre Gonzalez, Luciana Melina Luque - -Licensed under the Apache License, Version 2.0 (the "License"); -you may not use this file except in compliance with the License. -You may obtain a copy of the License at - - http://www.apache.org/licenses/LICENSE-2.0 - SPDX-License-Identifier: Apache-2.0 - -Unless required by applicable law or agreed to in writing, software -distributed under the License is distributed on an "AS IS" BASIS, -WITHOUT WARRANTIES OR CONDITIONS OF ANY KIND, either express or implied. -See the License for the specific language governing permissions and -limitations under the License. - -This file contains a model developed under Google Summer of Code (GSoC) -for the compiler-research.org organization. -""" - -import pandas as pd -import sys - -# Configuration flags -SAVE_TO_FILE = False # Set to True to save output to file, False to print to console -OUTPUT_FILENAME = "comparison_results_freeOxygen_freeOncoprotein_freeRandomRate.txt" # Name of the output file -num_files = 60 # Num -# Redirect output if flag is True -if SAVE_TO_FILE: - original_stdout = sys.stdout - sys.stdout = open(OUTPUT_FILENAME, 'w') - -for i in range(num_files): - # Read data from new CSV format with _processed suffix - df_cartopiax = pd.read_csv('processed/simulation_data_CARTopiaX'+str(i)+'_processed.csv') - df_paper = pd.read_csv('processed/simulation_data'+str(i)+'_processed.csv') - - # Extract values for CARTopiaX data - min_cartopiax = { - 'oxygen_level': df_cartopiax['min_oxygen_level'].iloc[0], - 'oncoproteine_level': df_cartopiax['min_oncoproteine_level'].iloc[0], - 'base_transition_rate': df_cartopiax['min_base_transition_rate'].iloc[0], - 'final_rate_transition': df_cartopiax['min_final_rate_transition'].iloc[0], - 'probability_necrosis': df_cartopiax['min_probability_necrosis'].iloc[0] - } - - mean_cartopiax = { - 'oxygen_level': df_cartopiax['avg_oxygen_level'].iloc[0], - 'oncoproteine_level': df_cartopiax['avg_oncoproteine_level'].iloc[0], - 'base_transition_rate': df_cartopiax['avg_base_transition_rate'].iloc[0], - 'final_rate_transition': df_cartopiax['avg_final_rate_transition'].iloc[0], - 'probability_necrosis': df_cartopiax['avg_probability_necrosis'].iloc[0] - } - - max_cartopiax = { - 'oxygen_level': df_cartopiax['max_oxygen_level'].iloc[0], - 'oncoproteine_level': df_cartopiax['max_oncoproteine_level'].iloc[0], - 'base_transition_rate': df_cartopiax['max_base_transition_rate'].iloc[0], - 'final_rate_transition': df_cartopiax['max_final_rate_transition'].iloc[0], - 'probability_necrosis': df_cartopiax['max_probability_necrosis'].iloc[0] - } - - # Extract values for the their model's data - min_paper = { - 'oxygen_level': df_paper['min_oxygen_level'].iloc[0], - 'oncoprotein_level': df_paper['min_oncoproteine_level'].iloc[0], - 'base_transition_rate': df_paper['min_base_transition_rate'].iloc[0], - 'final_rate_transition': df_paper['min_final_rate_transition'].iloc[0], - 'probability_necrosis': df_paper['min_probability_necrosis'].iloc[0] - } - - mean_paper = { - 'oxygen_level': df_paper['avg_oxygen_level'].iloc[0], - 'oncoprotein_level': df_paper['avg_oncoproteine_level'].iloc[0], - 'base_transition_rate': df_paper['avg_base_transition_rate'].iloc[0], - 'final_rate_transition': df_paper['avg_final_rate_transition'].iloc[0], - 'probability_necrosis': df_paper['avg_probability_necrosis'].iloc[0] - } - - max_paper = { - 'oxygen_level': df_paper['max_oxygen_level'].iloc[0], - 'oncoprotein_level': df_paper['max_oncoproteine_level'].iloc[0], - 'base_transition_rate': df_paper['max_base_transition_rate'].iloc[0], - 'final_rate_transition': df_paper['max_final_rate_transition'].iloc[0], - 'probability_necrosis': df_paper['max_probability_necrosis'].iloc[0] - } - - # Print as table - print(f"\nComparison for simulation {i}:") - print(f"{'Metric':<25} {'CARTopiaX Min':>12} {'CARTopiaX Avg':>12} {'CARTopiaX Max':>12} {'Paper Min':>12} {'Paper Avg':>12} {'Paper Max':>12}") - print("-" * 97) - print(f"{'Oxygen level':<25} {min_cartopiax['oxygen_level']:>12.6f} {mean_cartopiax['oxygen_level']:>12.6f} {max_cartopiax['oxygen_level']:>12.6f} {min_paper['oxygen_level']:>12.6f} {mean_paper['oxygen_level']:>12.6f} {max_paper['oxygen_level']:>12.6f}") - print(f"{'Oncoprotein level':<25} {min_cartopiax['oncoprotein_level']:>12.6f} {mean_cartopiax['oncoprotein_level']:>12.6f} {max_cartopiax['oncoprotein_level']:>12.6f} {min_paper['oncoprotein_level']:>12.6f} {mean_paper['oncoprotein_level']:>12.6f} {max_paper['oncoprotein_level']:>12.6f}") - print(f"{'Base transition rate':<25} {min_cartopiax['base_transition_rate']:>12.6f} {mean_cartopiax['base_transition_rate']:>12.6f} {max_cartopiax['base_transition_rate']:>12.6f} {min_paper['base_transition_rate']:>12.6f} {mean_paper['base_transition_rate']:>12.6f} {max_paper['base_transition_rate']:>12.6f}") - print(f"{'Transition rate':<25} {min_cartopiax['final_rate_transition']:>12.6f} {mean_cartopiax['final_rate_transition']:>12.6f} {max_cartopiax['final_rate_transition']:>12.6f} {min_paper['final_rate_transition']:>12.6f} {mean_paper['final_rate_transition']:>12.6f} {max_paper['final_rate_transition']:>12.6f}") - print(f"{'Necrosis probability':<25} {min_cartopiax['probability_necrosis']:>12.6f} {mean_cartopiax['probability_necrosis']:>12.6f} {max_cartopiax['probability_necrosis']:>12.6f} {min_paper['probability_necrosis']:>12.6f} {mean_paper['probability_necrosis']:>12.6f} {max_paper['probability_necrosis']:>12.6f}") - -# Restore original stdout if output was redirected to file -if SAVE_TO_FILE: - sys.stdout.close() - sys.stdout = original_stdout - print(f"Output saved to {OUTPUT_FILENAME}") From c6b76203eae8e0be07230c0ff2a8f522b366878e Mon Sep 17 00:00:00 2001 From: salva24 Date: Sat, 16 Aug 2025 16:59:37 +0200 Subject: [PATCH 07/47] remove draft_code_my_own_analysis --- .gitignore | 3 --- 1 file changed, 3 deletions(-) diff --git a/.gitignore b/.gitignore index fc406c4..28b174a 100644 --- a/.gitignore +++ b/.gitignore @@ -119,6 +119,3 @@ doc/latex # Result files *.xyz *.dat - -# Code for comparing models -draft_code_my_own_analysis/ \ No newline at end of file From f08333c8ba2eb16edd2ba52103bc5fab16d10aaf Mon Sep 17 00:00:00 2001 From: salva24 Date: Sat, 16 Aug 2025 17:01:03 +0200 Subject: [PATCH 08/47] add to gitignore draft_code_my_own_analysis --- .gitignore | 3 +++ 1 file changed, 3 insertions(+) diff --git a/.gitignore b/.gitignore index 28b174a..7d30e11 100644 --- a/.gitignore +++ b/.gitignore @@ -119,3 +119,6 @@ doc/latex # Result files *.xyz *.dat + +# Draft code for comparing models +draft_code_my_own_analysis/ \ No newline at end of file From 8ae6f23900d0932869b1d227edfefae6ac6f9cca Mon Sep 17 00:00:00 2001 From: salva24 Date: Sat, 16 Aug 2025 23:05:35 +0200 Subject: [PATCH 09/47] fixing comments --- src/cart_cell.h | 182 +---------- src/cart_tumor.cc | 95 ++++++ src/cart_tumor.h | 207 +------------ src/diffusion_thomas_algorithm.cc | 23 +- src/diffusion_thomas_algorithm.h | 61 +--- src/forces_tumor_cart.cc | 1 - src/forces_tumor_cart.h | 9 - src/hyperparams.h | 492 +++++++++--------------------- src/tumor_cell.h | 207 +------------ src/utils_aux.h | 32 +- 10 files changed, 264 insertions(+), 1045 deletions(-) diff --git a/src/cart_cell.h b/src/cart_cell.h index 44074a1..1a47612 100644 --- a/src/cart_cell.h +++ b/src/cart_cell.h @@ -59,221 +59,60 @@ class CartCell : public Cell { BDM_AGENT_HEADER(CartCell, Cell, 1); public: - /** @brief Default constructor */ CartCell() {} - - /** @brief Constructor with position parameter - * @param position Initial 3D position of the cell - */ explicit CartCell(const Real3& position); - - /** @brief Virtual destructor */ virtual ~CartCell() {} - /** @name State Management - * @brief Methods for managing cell state - * @{ - */ - - /** @brief Set the current state of the CAR-T cell - * @param state The new state to set - */ + ///Getters and Setters void SetState(CartCellState state) { state_ = state; } - - /** @brief Get the current state of the CAR-T cell - * @return The current cell state - */ CartCellState GetState() const { return state_; } - /** @brief Set the timer for tracking time in current state - * @param timer_state Timer value in minutes - */ void SetTimerState(int timer_state) { timer_state_ = timer_state; } - - /** @brief Get the timer for tracking time in current state - * @return Timer value in minutes - */ int GetTimerState() const { return timer_state_; } - - /** @} */ // end of State Management group - /** @name Volume and Physical Properties - * @brief Methods for managing cell volume and physical characteristics - * @{ - */ - - /** @brief Set the fluid fraction of the cell - * @param fluid_fraction The fluid fraction value - */ void SetFluidFraction(real_t fluid_fraction) { fluid_fraction_ = fluid_fraction; } - - /** @brief Get the fluid fraction of the cell - * @return The current fluid fraction - */ real_t GetFluidFraction() const { return fluid_fraction_; } - /** @brief Set the nuclear volume - * @param nuclear_volume The nuclear volume value - */ void SetNuclearVolume(real_t nuclear_volume) { nuclear_volume_ = nuclear_volume; } - - /** @brief Get the nuclear volume - * @return The current nuclear volume - */ real_t GetNuclearVolume() const { return nuclear_volume_; } - /** @brief Set the target cytoplasm solid volume - * @param target_cytoplasm_solid The target cytoplasm solid volume - */ void SetTargetCytoplasmSolid(real_t target_cytoplasm_solid) { target_cytoplasm_solid_ = target_cytoplasm_solid; } - - /** @brief Get the target cytoplasm solid volume - * @return The target cytoplasm solid volume - */ real_t GetTargetCytoplasmSolid() const { return target_cytoplasm_solid_; } - /** @brief Set the target nucleus solid volume - * @param target_nucleus_solid The target nucleus solid volume - */ void SetTargetNucleusSolid(real_t target_nucleus_solid) { target_nucleus_solid_ = target_nucleus_solid; } - - /** @brief Get the target nucleus solid volume - * @return The target nucleus solid volume - */ real_t GetTargetNucleusSolid() const { return target_nucleus_solid_; } - /** @brief Set the target fraction of fluid - * @param target_fraction_fluid The target fluid fraction - */ void SetTargetFractionFluid(real_t target_fraction_fluid) { target_fraction_fluid_ = target_fraction_fluid; } - - /** @brief Get the target fraction of fluid - * @return The target fluid fraction - */ real_t GetTargetFractionFluid() const { return target_fraction_fluid_; } - /** @brief Set the target relation between cytoplasm and nucleus - * @param target_relation_cytoplasm_nucleus The target relation value - */ void SetTargetRelationCytoplasmNucleus(real_t target_relation_cytoplasm_nucleus) { target_relation_cytoplasm_nucleus_ = target_relation_cytoplasm_nucleus; } - - /** @brief Get the target relation between cytoplasm and nucleus - * @return The target relation value - */ real_t GetTargetRelationCytoplasmNucleus() const { return target_relation_cytoplasm_nucleus_; } - /** @} */ // end of Volume and Physical Properties group - - /** @name Tumor Cell Attachment - * @brief Methods for managing attachment to tumor cells - * @{ - */ - - /** @brief Set whether the cell is attached to a tumor cell - * @param attached True if attached, false otherwise - */ void SetAttachedToTumorCell(bool attached) { attached_to_tumor_cell_ = attached; } - - /** @brief Check if the cell is attached to a tumor cell - * @return True if attached to a tumor cell, false otherwise - */ bool IsAttachedToTumorCell() const { return attached_to_tumor_cell_; } - /** @brief Get the attached tumor cell - * @return Pointer to the attached tumor cell, or nullptr if not attached - */ - TumorCell* GetAttachedCell() const { return attached_cell_; } - - /** @brief Set the attached tumor cell - * @param cell Pointer to the tumor cell to attach - */ - void SetAttachedCell(TumorCell* cell) { attached_cell_ = cell; } - - /** @} */ // end of Tumor Cell Attachment group - - /** @name Movement and Velocity - * @brief Methods for managing cell movement and velocity - * @{ - */ - - /** @brief Get the velocity from the previous time step - * @return The velocity vector from the previous step - */ Real3 GetOlderVelocity() const { return older_velocity_; } - - /** @brief Set the velocity from the previous time step - * @param velocity The velocity vector to set - */ void SetOlderVelocity(const Real3& velocity) { older_velocity_ = velocity; } - /** @brief Check whether the cell moves by its own - * @return True if the cell can move independently, false otherwise - */ - bool DoesCellMove(); - - /** @} */ // end of Movement and Velocity group - - /** @name Biochemical Properties - * @brief Methods for managing oxygen consumption and cell lifetime - * @{ - */ - - /** @brief Get the oxygen consumption rate - * @return The current oxygen consumption rate - */ real_t GetOxygenConsumptionRate() const { return oxygen_consumption_rate_; } - - /** @brief Set the oxygen consumption rate - * @param rate The oxygen consumption rate to set - */ void SetOxygenConsumptionRate(real_t rate) { oxygen_consumption_rate_ = rate; } - /** @brief Get the current live time - * @return The current time until apoptosis - */ real_t GetCurrentLiveTime() const { return current_live_time_; } - - /** @brief Set the current live time - * @param time The current live time to set - */ void SetCurrentLiveTime(real_t time) { current_live_time_ = time; } - /** @} */ // end of Biochemical Properties group + TumorCell* GetAttachedCell() const { return attached_cell_; } + void SetAttachedCell(TumorCell* cell) { attached_cell_ = cell; } - /** @name Volume Calculations - * @brief Methods for volume calculations - * @{ - */ + /// Returns whether the cell moves by its own + bool DoesCellMove(); - /** @brief Calculate the target total volume of the cell - * @return The target total volume - */ real_t GetTargetTotalVolume(); - /** @} */ // end of Volume Calculations group - - /** @name Diffusion Grids - * @brief Methods for accessing diffusion grids - * @{ - */ - - /** @brief Get the diffusion grid for oxygen - * @return Pointer to the oxygen diffusion grid - */ + /// Returns the diffusion grid for oxygen DiffusionGrid* GetOxygenDiffusionGrid() const { return oxygen_dgrid_; } - - /** @brief Get the diffusion grid for immunostimulatory factors - * @return Pointer to the immunostimulatory factor diffusion grid - */ + /// Returns the diffusion grid for immunostimulatory factors DiffusionGrid* GetImmunostimulatoryFactorDiffusionGrid() const { return immunostimulatory_factor_dgrid_; } - - /** @} */ // end of Diffusion Grids group - - /** @name Core Simulation Methods - * @brief Core methods for cell simulation and behavior - * @{ - */ - + /** @brief Change volume using exponential relaxation equation * * This method explicitly solves the system of exponential relaxation differential @@ -317,7 +156,6 @@ class CartCell : public Cell { */ void ComputeConstantsConsumptionSecretion(); - /** @} */ // end of Core Simulation Methods group /** @name Private Member Variables * @brief Private attributes of the CAR-T cell @@ -396,12 +234,8 @@ class CartCell : public Cell { struct StateControlCart : public Behavior { BDM_BEHAVIOR_HEADER(StateControlCart, Behavior, 1); - /** @brief Default constructor - * Calls AlwaysCopyToNew() to ensure the behavior is copied to new cells - */ StateControlCart() { AlwaysCopyToNew(); } - /** @brief Virtual destructor */ virtual ~StateControlCart() {} /** @brief Execute the state control behavior diff --git a/src/cart_tumor.cc b/src/cart_tumor.cc index 482ecc4..7e30490 100644 --- a/src/cart_tumor.cc +++ b/src/cart_tumor.cc @@ -18,5 +18,100 @@ * for the compiler-research.org organization. */ #include "cart_tumor.h" +#include "tumor_cell.h" +#include "cart_cell.h" +#include "diffusion_thomas_algorithm.h" +#include "forces_tumor_cart.h" +#include "core/environment/uniform_grid_environment.h" +#include "core/operation/mechanical_forces_op.h" + +namespace bdm { + +int Simulate(int argc, const char** argv) { + // Set simulation bounds + auto set_param = [](Param* param) { + param->random_seed = kSeed; // Set a fixed random seed for reproducibility + param->bound_space = Param::BoundSpaceMode::kTorus;// Periodic boundary + param->min_bound = -kBoundedSpaceLength/2; + param->max_bound = kBoundedSpaceLength/2; // Cube of 1000x1000x1000 centered at origin + param->simulation_time_step = kDt; + }; + + Simulation simulation(argc, argv, set_param); + auto* ctxt = simulation.GetExecutionContext(); + + //Change Forces + auto* scheduler = simulation.GetScheduler(); + + auto* op = scheduler->GetOps("mechanical forces")[0]; + op->GetImplementation()->SetInteractionForce(new InteractionVelocity()); + + auto* env = dynamic_cast(Simulation::GetActive()->GetEnvironment()); + // Fix the box length for the uniform grid environment + env->SetBoxLength(kLengthBoxMechanics); + + // Define Substances + auto* rm = Simulation::GetActive()->GetResourceManager(); + + // Oxygen + // substance_id, name, diffusion_coefficient, decay_constant, resolution, time_step + auto* oxygen_grid = new DiffusionThomasAlgorithm( + kOxygen, "oxygen", + kDiffusionCoefficientOxygen,// 100000 micrometers^2/minute + kDecayConstantOxygen, // 0.1 minutes^-1 + kResolutionGridSubstances, + kDtSubstances, + true); // true indicates Dirichlet border conditions + rm->AddContinuum(oxygen_grid); + + // Immunostimulatory Factor + // substance_id, name, diffusion_coefficient, decay_constant, resolution + auto* immunostimulatory_factor_grid = new DiffusionThomasAlgorithm( + kImmunostimulatoryFactor, "immunostimulatory_factor", + kDiffusionCoefficientImmunostimulatoryFactor, // 1000 micrometers^2/minute + kDecayConstantImmunostimulatoryFactor, // 0.016 minutes^-1 + kResolutionGridSubstances, + kDtSubstances, + false); // false indicates Neumann border conditions + rm->AddContinuum(immunostimulatory_factor_grid); + + // Boundary Conditions Dirichlet: simulating absorption or total loss at the boundaries of the space. + //Oxygen comming from the borders (capillary vessels) + ModelInitializer::AddBoundaryConditions( + kOxygen, BoundaryConditionType::kDirichlet, + std::make_unique(kOxygenReferenceLevel));// kOxygenReferenceLevel mmHg is the physiological level of oxygen in tissues, o2 saturation is 100% at this level + + //This is useless now but should be added this way in a future version of BioDynaMo + ModelInitializer::AddBoundaryConditions( + kImmunostimulatoryFactor, BoundaryConditionType::kNeumann, nullptr); + + //Initialize oxygen voxels + ModelInitializer::InitializeSubstance(kOxygen, [](real_t x, real_t y, real_t z) { + return kInitialOxygenLevel; // Set all voxels to kInitialOxygenLevel mmHg + }); + + // One spherical tumor of radius kInitialRadiusTumor in the center of the simulation space + std::vector positions=CreateSphereOfTumorCells(kInitialRadiusTumor);//positions of the cells + for (const auto& pos : positions) { + TumorCell* tumor_cell = new TumorCell(pos); + tumor_cell->AddBehavior(new StateControlGrowProliferate()); + ctxt->AddAgent(tumor_cell); + } + + //OutputSummary operation + auto* summary_op = new bdm::Operation("OutputSummary"); + // Set the interval for outputting CSV files + summary_op->frequency_ = kOutputCsvInterval; + summary_op->AddOperationImpl(bdm::kCpu, new bdm::OutputSummary()); + scheduler->ScheduleOp(summary_op); + + // Run simulation + //simulate kTotalMinutesToSimulate minutes including the last minute + scheduler->Simulate(1+kTotalMinutesToSimulate/kDt); + std::cout << "Simulation completed successfully!" << std::endl; + return 0; +} + +} // namespace bdm int main(int argc, const char** argv) { return bdm::Simulate(argc, argv); } diff --git a/src/cart_tumor.h b/src/cart_tumor.h index c73fb63..a214602 100644 --- a/src/cart_tumor.h +++ b/src/cart_tumor.h @@ -17,214 +17,19 @@ * This file contains a model developed under Google Summer of Code (GSoC) * for the compiler-research.org organization. */ - #ifndef CART_TUMOR_H_ #define CART_TUMOR_H_ #include "biodynamo.h" -#include "tumor_cell.h" -#include "cart_cell.h" -#include "diffusion_thomas_algorithm.h" -#include "forces_tumor_cart.h" -#include "core/environment/uniform_grid_environment.h" -#include "core/operation/mechanical_forces_op.h" -namespace bdm { - - - -/** - * @brief Enumeration of extracellular substances in the simulation - * - * This enum defines the different types of substances that can diffuse - * through the extracellular environment in the simulation. - */ -enum Substances { - /** @brief Immunostimulatory factor substance identifier */ - kImmunostimulatoryFactor, - /** @brief Oxygen substance identifier */ - kOxygen -}; - -/** - * @brief Main simulation function for CAR-T cell and tumor interaction - * - * This function sets up and runs the complete simulation including: - * - Simulation parameters and boundary conditions - * - Mechanical forces and grid environment - * - Diffusion grids for oxygen and immunostimulatory factors - * - Initial tumor cell population - * - Simulation execution and output - * - * @param argc Number of command line arguments - * @param argv Array of command line arguments - * @return Exit code (0 for success) - */ -inline int Simulate(int argc, const char** argv) { - - - - /** @brief Configure simulation parameters - * - * Lambda function to set up simulation parameters including: - * - Random seed for reproducibility - * - Boundary conditions (torus/periodic) - * - Spatial bounds and simulation time step - */ - auto set_param = [](Param* param) { - param->random_seed = kSeed; /** @brief Set a fixed random seed for reproducibility */ - param->bound_space = Param::BoundSpaceMode::kTorus; /** @brief Periodic boundary conditions */ - param->min_bound = -kBoundedSpaceLength / 2; - param->max_bound = kBoundedSpaceLength/2; /** @brief Cube of 1000x1000x1000 centered at origin */ - param->simulation_time_step = kDt; - }; - - - - Simulation simulation(argc, argv, set_param); - auto* ctxt = simulation.GetExecutionContext(); - - /** @brief Configure mechanical forces - * - * Change the default mechanical forces to use custom interaction velocity forces - * and set up the uniform grid environment with specified box length. - */ - auto* scheduler = simulation.GetScheduler(); - - auto* op = scheduler->GetOps("mechanical forces")[0]; - op->GetImplementation()->SetInteractionForce(new InteractionVelocity()); - - auto* env = dynamic_cast(Simulation::GetActive()->GetEnvironment()); - env->SetBoxLength(kLengthBoxMechanics); /** @brief Fix the box length for the uniform grid environment */ - - /** @name Substance Definition and Configuration - * @brief Setup of diffusion grids for extracellular substances - * @{ - */ - auto* rm = Simulation::GetActive()->GetResourceManager(); - - /** @brief Oxygen diffusion grid setup - * - * Creates a diffusion grid for oxygen with Thomas algorithm solver. - * Parameters: substance_id, name, diffusion_coefficient, decay_constant, resolution, time_step - * Uses Dirichlet boundary conditions to simulate oxygen supply from capillary vessels. - */ - auto* oxygen_grid = new DiffusionThomasAlgorithm( - kOxygen, "oxygen", - kDiffusionCoefficientOxygen,/** @brief 100000 micrometers^2/minute */ - kDecayConstantOxygen, /** @brief 0.1 minutes^-1 */ - kResolutionGridSubstances, - kDtSubstances, - true); /** @brief true indicates Dirichlet border conditions */ - rm->AddContinuum(oxygen_grid); - - /** @brief Immunostimulatory factor diffusion grid setup - * - * Creates a diffusion grid for immunostimulatory factors with Thomas algorithm solver. - * Parameters: substance_id, name, diffusion_coefficient, decay_constant, resolution - * Uses Neumann boundary conditions (no flux across boundaries). - */ - auto* immunostimulatory_factor_grid = new DiffusionThomasAlgorithm( - kImmunostimulatoryFactor, "immunostimulatory_factor", - kDiffusionCoefficientImmunostimulatoryFactor, /** @brief 1000 micrometers^2/minute */ - kDecayConstantImmunostimulatoryFactor, /** @brief 0.016 minutes^-1 */ - kResolutionGridSubstances, - kDtSubstances, - false); /** @brief false indicates Neumann border conditions */ - rm->AddContinuum(immunostimulatory_factor_grid); - - - /** @brief Boundary conditions setup - * - * Dirichlet boundary conditions simulate absorption or total loss at the boundaries. - * Oxygen comes from the borders (simulating capillary vessels). - */ - ModelInitializer::AddBoundaryConditions( - kOxygen, BoundaryConditionType::kDirichlet, - std::make_unique(kOxygenReferenceLevel));/** @brief kOxygenReferenceLevel mmHg is the physiological level of oxygen in tissues, O2 saturation is 100% at this level */ - - /** @brief Neumann boundary conditions for immunostimulatory factor - * - * This is currently not used but should be added this way in a future version of BioDynaMo - */ - ModelInitializer::AddBoundaryConditions( - kImmunostimulatoryFactor, BoundaryConditionType::kNeumann, nullptr); - - /** @brief Initialize oxygen concentration throughout the simulation space */ - ModelInitializer::InitializeSubstance(kOxygen, [](real_t x, real_t y, real_t z) { - return kInitialOxygenLevel; /** @brief Set all voxels to kInitialOxygenLevel mmHg */ - }); - - /** @} */ // end of Substance Definition and Configuration group - - /** @name Initial Cell Population Setup - * @brief Creation of initial tumor cell population - * @{ - */ - - /** @brief Create spherical tumor of specified radius - * - * Generate positions for tumor cells arranged in a sphere of radius kInitialRadiusTumor - * centered at the origin of the simulation space. - */ - std::vector positions=CreateSphereOfTumorCells(kInitialRadiusTumor);/** @brief positions of the cancer cells */ - - /** @brief Create and initialize tumor cells */ - for (const auto& pos : positions) { - TumorCell* tumor_cell = new TumorCell(pos); - tumor_cell->AddBehavior(new StateControlGrowProliferate()); - ctxt->AddAgent(tumor_cell); - } - - /** @brief Debug CAR-T cell creation (commented out) - * - * Uncomment to add a single CAR-T cell at origin for debugging purposes - */ - // //debug - // CartCell* cart_cell = new CartCell({0.,0.,0.}); - // cart_cell->AddBehavior(new StateControlCart()); - // ctxt->AddAgent(cart_cell); - - /** @} */ // end of Initial Cell Population Setup group - - - - - /** @name Output Operations Setup - * @brief Configuration of simulation output and data collection - * @{ - */ - - /** @brief Setup output summary operation - * - * Creates and schedules an operation to output CSV files at regular intervals - * for data analysis and visualization. - */ - auto* summary_op = new bdm::Operation("OutputSummary"); - summary_op->frequency_ = kOutputCsvInterval; /** @brief Set the interval for outputting CSV files */ - summary_op->AddOperationImpl(bdm::kCpu, new bdm::OutputSummary()); - scheduler->ScheduleOp(summary_op); - - /** @} */ // end of Output Operations Setup group - +namespace bdm { - /** @name Simulation Execution - * @brief Run the main simulation loop - * @{ - */ - - /** @brief Execute the simulation - * - * Run the simulation for the specified duration. The simulation runs for - * kTotalMinutesToSimulate minutes including the final minute (hence 1+). - */ - scheduler->Simulate(1+kTotalMinutesToSimulate/kDt);/** @brief simulate kTotalMinutesToSimulate minutes including the last minute */ - std::cout << "Simulation completed successfully!" << std::endl; - return 0; +/// List the diffused substances +enum Substances { kImmunostimulatoryFactor, kOxygen }; - /** @} */ // end of Simulation Execution group -} +/// Function declaration for the main simulation +int Simulate(int argc, const char** argv); } // namespace bdm -#endif // CART_TUMOR_H_ +#endif // CART_TUMOR_H_ \ No newline at end of file diff --git a/src/diffusion_thomas_algorithm.cc b/src/diffusion_thomas_algorithm.cc index dfe366c..515fec0 100644 --- a/src/diffusion_thomas_algorithm.cc +++ b/src/diffusion_thomas_algorithm.cc @@ -67,9 +67,6 @@ DiffusionThomasAlgorithm::DiffusionThomasAlgorithm(int substance_id, std::string thomas_denom_z_ = std::vector(resolution_, constant3_); InitializeThomasAlgorithmVectors(thomas_denom_z_, thomas_c_z_); - // std::cout << "thomas_c: " << thomas_c_z_[0] << " " << thomas_c_z_[1] << " " << thomas_c_z_[2] << " " << thomas_c_z_[resolution_-2] << " " <& thomas_denom, std::vector& thomas_c) { @@ -189,19 +186,7 @@ void DiffusionThomasAlgorithm::Step(real_t dt) {//instead of overwriting Step, i void DiffusionThomasAlgorithm::DiffuseChemical(real_t dt) { - // Change to add double buffer for paralelization - - // //Debug - // std::ofstream file("output/vector_densities_mine.csv", std::ios::app); - // if (file.is_open()) { - // auto* con=GetAllConcentrations(); - // for (unsigned int i = 0; i < resolution_ * resolution_ * resolution_; ++i) { - // file << con[i]; - // file << ","; - // } - // file<< "\n"; - // } - // //End Debug + // Change for the future: to add double buffer for paralelization if (dirichlet_border_) { ApplyDirichletBoundaryConditions();} @@ -298,11 +283,7 @@ void DiffusionThomasAlgorithm::ComputeConsumptionsSecretions() { real_t new_conc = cell->ConsumeSecreteSubstance(GetContinuumId(),conc); ChangeConcentrationBy(pos, new_conc - conc, InteractionMode::kAdditive, false); } - //Debug - // std::ofstream file("output/consumptions_mine.csv", std::ios::app); - // if (file.is_open()) { - // file << current_time << "," << conc << "," << 0.0 << "," << 1.3 << "," << new_conc << "\n"; - // } + }); return; diff --git a/src/diffusion_thomas_algorithm.h b/src/diffusion_thomas_algorithm.h index dc0d67a..20e3fc4 100644 --- a/src/diffusion_thomas_algorithm.h +++ b/src/diffusion_thomas_algorithm.h @@ -35,20 +35,8 @@ namespace bdm { */ class DiffusionThomasAlgorithm : public DiffusionGrid { public: - /** @brief Default constructor */ DiffusionThomasAlgorithm() = default; - /** @brief Constructor with full parameter specification - * - * @param substance_id Unique identifier for the substance - * @param substance_name Human-readable name of the substance - * @param dc Diffusion coefficient (μm²/min) - * @param mu Decay constant (min⁻¹) - * @param resolution Number of voxels in each spatial direction - * @param dt Time step for simulation (min) - * @param dirichlet_border Flag indicating Dirichlet boundary conditions - * (this flag should not be necessary in a future version of BioDynaMo) - */ DiffusionThomasAlgorithm(int substance_id, std::string substance_name, real_t dc, @@ -57,61 +45,24 @@ class DiffusionThomasAlgorithm : public DiffusionGrid { real_t dt, bool dirichlet_border); - /** @name Concentration Setters - * @brief Methods to set substance concentration at specific locations - * @{ - */ - - /** @brief Set concentration at spatial coordinates - * - * @param x X-coordinate in micrometers - * @param y Y-coordinate in micrometers - * @param z Z-coordinate in micrometers - * @param amount Concentration value to set - */ + /// Concentration setters void SetConcentration(real_t x, real_t y, real_t z, real_t amount){ SetConcentration(GetBoxIndex(x, y, z), amount); }; - /** @brief Set concentration at voxel index - * - * @param idx Linear index of the voxel - * @param amount Concentration value to set - */ void SetConcentration(size_t idx, real_t amount); - /** @} */ // end of Concentration Setters group - /** @name Legacy Diffusion Methods (Unused) - * @brief Overridden methods that are empty as they are not used - * + /* * These methods are overridden but empty because they are not used. * This should be fixed in future versions of BioDynaMo. - * @{ */ - - /** @brief Diffusion with closed edge boundary conditions (not implemented) */ void DiffuseWithClosedEdge(real_t dt) override{}; - - /** @brief Diffusion with open edge boundary conditions (not implemented) */ void DiffuseWithOpenEdge(real_t dt) override{}; - - /** @brief Diffusion with Neumann boundary conditions (not implemented) */ void DiffuseWithNeumann(real_t dt) override{}; - - /** @brief Diffusion with periodic boundary conditions (not implemented) */ void DiffuseWithPeriodic(real_t dt) override{}; - - /** @brief Diffusion with Dirichlet boundary conditions (not implemented) */ void DiffuseWithDirichlet(real_t dt) override{}; - /** @} */ // end of Legacy Diffusion Methods group - - - /** @name Core Diffusion Methods - * @brief Main methods for diffusion computation - * @{ - */ /** @brief Perform chemical diffusion using Thomas algorithm * @@ -164,8 +115,6 @@ class DiffusionThomasAlgorithm : public DiffusionGrid { */ void ComputeConsumptionsSecretions(); - /** @} */ // end of Core Diffusion Methods group - /** @name Private Member Variables * @brief Internal data structures and parameters * @{ @@ -245,11 +194,6 @@ class DiffusionThomasAlgorithm : public DiffusionGrid { /** @} */ // end of Private Member Variables group - /** @name Private Helper Methods - * @brief Internal utility functions - * @{ - */ - /** @brief Initialize Thomas algorithm coefficient vectors * * Sets up the precomputed coefficients for efficient Thomas algorithm @@ -277,7 +221,6 @@ class DiffusionThomasAlgorithm : public DiffusionGrid { */ size_t GetBoxIndex(size_t x, size_t y, size_t z) const; - /** @} */ // end of Private Helper Methods group BDM_CLASS_DEF_OVERRIDE(DiffusionThomasAlgorithm, 1); }; diff --git a/src/forces_tumor_cart.cc b/src/forces_tumor_cart.cc index f45d209..4d2e594 100644 --- a/src/forces_tumor_cart.cc +++ b/src/forces_tumor_cart.cc @@ -24,7 +24,6 @@ namespace bdm { Real4 InteractionVelocity::Calculate(const Agent* lhs, const Agent* rhs) const { - // std::cout << "Calculating interaction velocity..." << std::endl;//Debug auto* a = static_cast(lhs); auto* b = static_cast(rhs); diff --git a/src/forces_tumor_cart.h b/src/forces_tumor_cart.h index 2edde28..ca86d95 100644 --- a/src/forces_tumor_cart.h +++ b/src/forces_tumor_cart.h @@ -41,10 +41,8 @@ namespace bdm { */ class InteractionVelocity : public InteractionForce { public: - /** @brief Default constructor */ InteractionVelocity() = default; - /** @brief Virtual destructor */ ~InteractionVelocity() override = default; /** @brief Calculate interaction force between two agents @@ -59,13 +57,6 @@ class InteractionVelocity : public InteractionForce { */ Real4 Calculate(const Agent* lhs, const Agent* rhs) const override; - /** @brief Create a copy of this interaction force - * - * Creates a new instance of the InteractionVelocity force for use - * in multi-threaded simulations where each thread needs its own copy. - * - * @return Pointer to a new InteractionVelocity instance - */ InteractionForce* NewCopy() const override; }; diff --git a/src/hyperparams.h b/src/hyperparams.h index 2d866d2..dccbd06 100644 --- a/src/hyperparams.h +++ b/src/hyperparams.h @@ -28,379 +28,165 @@ namespace bdm { -/** @name Tumor Cell Hyperparameters - * @brief Parameters controlling tumor cell behavior and properties. This should be in a not recompiled parameters file in the future - * @{ - */ - -/** @brief Rate of immunostimulatory factor secretion by tumor cells (per minute) */ -constexpr real_t kRateSecretionImmunostimulatoryFactor= 10.0; - -/** @brief Saturation density of immunostimulatory factor for tumor cells */ -constexpr real_t kSaturationDensityImmunostimulatoryFactor = 1.0; - -/** @brief Mean level of oncoprotein expression in tumor cells */ -constexpr real_t kOncoproteinMean = 1.0; -/** @brief Standard deviation of oncoprotein expression in tumor cells */ -constexpr real_t kOncoproteinStandardDeviation = 0.25; - -/** @brief Oxygen saturation level required for tumor cell proliferation (mmHg) */ -constexpr real_t kOxygenSaturationInProliferation = 38.0; - -/** @brief Minimum oxygen level threshold for tumor cell proliferation (mmHg) */ -constexpr real_t kOxygenLimitForProliferation = 10.0; - -/** @brief Oxygen level threshold below which necrosis begins (mmHg) */ +/// TumorCell Hyperparameters + +/// Rate of secretion of immunostimulatory factor of tumor cells per minute +constexpr real_t kRateSecretionImmunostimulatoryFactor= 10.0; +/// Saturation density of immunostimulatory factor for tumor cells +constexpr real_t kSaturationDensityImmunostimulatoryFactor = 1.0; +/// Mean level of oncoprotein expression in tumor cells +constexpr real_t kOncoproteinMean = 1.0; +/// Standard deviation of oncoprotein expression in tumor cells +constexpr real_t kOncoproteinStandardDeviation = 0.25; +/// Oxygen saturation level in tumor cells for proliferation +constexpr real_t kOxygenSaturationInProliferation = 38.0; +/// Limit of oxygen level for tumor cell proliferation +constexpr real_t kOxygenLimitForProliferation = 10.0; +/// Limit of oxygen to start causing necrosis constexpr real_t kOxygenLimitForNecrosis = 5.0; +/// Limit of oxygen to maximum necrosis probability +constexpr real_t kOxygenLimitForNecrosisMaximum= 2.5; +/// Time in minutes until a lysed necrotic cell is removed from the simulation +constexpr real_t kTimeLysis = 60*24*60.; +/// Rate of cell division in min**-1 +constexpr real_t kDivisionRate = 0.02717 / 60.0; +/// Maximum rate per minute of necrosis for tumor cells in case of hypoxia with 0 oxygen +constexpr real_t kMaximumNecrosisRate= 1.0 / (6.0 * 60.0); +/// Default oxygen consumption rate of tumor cell +constexpr real_t kDefaultOxygenConsumption = 10.0; +///Volume parameters +/// Default total volume of a new tumor cell in μm³ +constexpr real_t kDefaultVolumeNewTumorCell = 2494.0; +/// Default volume of the nucleus of a new tumor cell in μm³ +constexpr real_t kDefaultVolumeNucleusTumorCell = 540.0; +/// Default fraction of fluid volume in a new tumor cell +constexpr real_t kDefaultFractionFluidTumorCell = 0.75; + + +///volume relaxation rate (min^-1) for each state +constexpr real_t kVolumeRelaxarionRateAliveCytoplasm =0.13/60.;// 0.27/ 60.0; +constexpr real_t kVolumeRelaxarionRateAliveNucleus = 0.22/60.;//0.33/60. +constexpr real_t kVolumeRelaxarionRateAliveFluid = 1.3/60.;//3.0/60. -/** @brief Oxygen level for maximum necrosis probability (mmHg) */ -constexpr real_t kOxygenLimitForNecrosisMaximum= 2.5; -/** @brief Transition rates for Ki67 expression states (commented out) - * - * Transition rates for Ki67 expression states in min⁻¹: - * - Rate from 0 to 1 (ki67 negative to ki67 positive pre-mitotic) - * - Rate from 1 to 2 (ki67 positive pre-mitotic to ki67 positive post-mitotic) - * - Rate from 2 to 0 (ki67 positive post-mitotic to ki67 negative) - */ -// constexpr real_t kTransitionRateKi67[] = {// Transition rates for Ki67 expression states in min**-1 -// 1.0 / (3.62 * 60.0), // Rate from 0 to 1 (ki67 negative to ki67 positive pre-mitotic) -// 1.0 / (13.0 * 60.0), // Rate from 1 to 2 (ki67 positive pre-mitotic to ki67 positive post-mitotic) -// 1.0 / (2.5 * 60.0) // Rate from 2 to 0 (ki67 positive post-mitotic to ki67 negative) -// }; - -/** @brief Time until a lysed necrotic cell is removed from simulation (minutes) */ -constexpr real_t kTimeLysis = 60*24*60.; - -/** @brief Rate of cell division (min⁻¹) */ -constexpr real_t kDivisionRate = 0.02717 / 60.0; - -/** @brief Maximum necrosis rate for tumor cells in hypoxic conditions (min⁻¹) */ -constexpr real_t kMaximumNecrosisRate= 1.0 / (6.0 * 60.0); - -/** @brief Default oxygen consumption rate of tumor cells */ -constexpr real_t kDefaultOxygenConsumption = 10.0; -/** @name Volume Parameters - * @brief Default volume parameters for tumor cells - * @{ - */ - -/** @brief Default total volume of a new tumor cell (μm³) */ -constexpr real_t kDefaultVolumeNewTumorCell = 2494.0; - -/** @brief Default volume of the nucleus of a new tumor cell (μm³) */ -constexpr real_t kDefaultVolumeNucleusTumorCell = 540.0; - -/** @brief Default fraction of fluid volume in a new tumor cell */ -constexpr real_t kDefaultFractionFluidTumorCell = 0.75; - -/** @} */ // end of Volume Parameters group - - -/** @name Volume Relaxation Rates - * @brief Volume relaxation rates (min⁻¹) for different cell states - * @{ - */ - -/** @name Alive Cell Volume Relaxation Rates - * @brief Relaxation rates for living cells - * @{ - */ - -/** @brief Volume relaxation rate for cytoplasm in alive cells (min⁻¹) */ -constexpr real_t kVolumeRelaxarionRateAliveCytoplasm =0.13/60.; - -/** @brief Volume relaxation rate for nucleus in alive cells (min⁻¹) */ -constexpr real_t kVolumeRelaxarionRateAliveNucleus = 0.22/60.; - -/** @brief Volume relaxation rate for fluid in alive cells (min⁻¹) */ -constexpr real_t kVolumeRelaxarionRateAliveFluid = 1.3/60.; - -/** @} */ // end of Alive Cell Volume Relaxation Rates group - -/** @name Necrotic Swelling Volume Relaxation Rates - * @brief Relaxation rates for necrotic cells during swelling phase - * @{ - */ - -/** @brief Volume relaxation rate for cytoplasm in necrotic swelling cells (min⁻¹) */ constexpr real_t kVolumeRelaxarionRateCytoplasmNecroticSwelling = 0.0032/60.0; - -/** @brief Volume relaxation rate for nucleus in necrotic swelling cells (min⁻¹) */ constexpr real_t kVolumeRelaxarionRateNucleusNecroticSwelling = 0.013/60.; - -/** @brief Volume relaxation rate for fluid in necrotic swelling cells (min⁻¹) */ constexpr real_t kVolumeRelaxarionRateFluidNecroticSwelling = 0.050/60.0; -/** @} */ // end of Necrotic Swelling Volume Relaxation Rates group - -/** @name Necrotic Lysed Volume Relaxation Rates - * @brief Relaxation rates for necrotic cells during lysis phase - * @{ - */ - -/** @brief Volume relaxation rate for cytoplasm in necrotic lysed cells (min⁻¹) */ constexpr real_t kVolumeRelaxarionRateCytoplasmNecroticLysed = 0.0032/60.00; - -/** @brief Volume relaxation rate for nucleus in necrotic lysed cells (min⁻¹) */ constexpr real_t kVolumeRelaxarionRateNucleusNecroticLysed = 0.013/60.; - -/** @brief Volume relaxation rate for fluid in necrotic lysed cells (min⁻¹) */ constexpr real_t kVolumeRelaxarionRateFluidNecroticLysed = 0.050/60.0; -/** @} */ // end of Necrotic Lysed Volume Relaxation Rates group -/** @} */ // end of Volume Relaxation Rates group -/** @} */ // end of Tumor Cell Hyperparameters group - - -/** @name General Simulation Hyperparameters - * @brief Core simulation parameters and timing - * @{ - */ - -/** @brief Seed for random number generation */ -constexpr int kSeed =3; - -/** @name Time Steps - * @brief Different time steps for various simulation processes - * @{ - */ - -/** @brief Time step for substance secretion/consumption (minutes) */ -constexpr real_t kDtSubstances = 0.01; - -/** @brief Time step for cell mechanics (minutes) */ -constexpr real_t kDtMechanics = 0.1; - -/** @brief Time step for cell cycle processes (minutes) */ -constexpr real_t kDtCycle = 6.0; - -/** @brief General time step for the simulation (same as kDtMechanics) - * @warning Do not modify this line - */ -constexpr real_t kDt = kDtMechanics; - -/** @brief Number of steps per cycle step - * @warning Do not modify this line. Computed to avoid errors with fmod - */ -constexpr int kStepsPerCycle = kDtCycle / kDt; - -/** @} */ // end of Time Steps group - -/** @name Simulation Duration and Output - * @brief Parameters controlling simulation length and output frequency - * @{ - */ - -/** @brief Output summary interval (every 12 hours in simulation time) */ +/// +/// General Hyperparameters +/// +/// Seed for random number generation +constexpr int kSeed =3; + +/// 0.01 minutes time step for substances secretion/consumption +constexpr real_t kDtSubstances = 0.01; +/// 0.1 minutes time step for the cell mechanics +constexpr real_t kDtMechanics = 0.1; +/// 6 minutes time step for the cell cycle +constexpr real_t kDtCycle = 6.0; + +/// General time step for the simulation: it is the same as kDtMechanics, do not modify this line +constexpr real_t kDt = kDtMechanics; +/// Number of steps per cycle step, do not modify this line. Needs to be computed to avoid errors with fmod +constexpr int kStepsPerCycle = kDtCycle / kDt; + +/// Output little summary each half a day constexpr int kOutputCsvInterval = 12*60/kDt; -/** @brief Total simulation time in minutes (30 days) */ -constexpr int kTotalMinutesToSimulate = 30*24*60; - -/** @} */ // end of Simulation Duration and Output group - -/** @name Spatial Parameters - * @brief Parameters defining the simulation space - * @{ - */ -/** @brief Length of the bounded simulation space (micrometers) */ -constexpr int kBoundedSpaceLength = 1000; +/// Total simulation time in minutes (30 days) +constexpr int kTotalMinutesToSimulate = 30*24*60; +/// Length of the bounded space in micrometers +constexpr int kBoundedSpaceLength = 1000; +/// Initial radius of the spherical tumor (group of cancer cells) in micrometers +constexpr real_t kInitialRadiusTumor = 150; -/** @brief Initial radius of the spherical tumor (micrometers) */ -constexpr real_t kInitialRadiusTumor = 150; -/** @} */ // end of Spatial Parameters group - - -/** @name Apoptosis Parameters - * @brief Parameters for apoptotic cell behavior - * @{ - */ - -/** @brief Volume relaxation rate for cytoplasm in apoptotic cells (min⁻¹) */ constexpr real_t kVolumeRelaxarionRateCytoplasmApoptotic = 1.0/60.0; - -/** @brief Volume relaxation rate for nucleus in apoptotic cells (min⁻¹) */ constexpr real_t kVolumeRelaxarionRateNucleusApoptotic = 0.35/60.0; - -/** @brief Volume relaxation rate for fluid in apoptotic cells (min⁻¹) */ constexpr real_t kVolumeRelaxarionRateFluidApoptotic = 0.0; - -/** @brief Time until an apoptotic cell is removed from simulation (minutes) */ -constexpr real_t kTimeApoptosis = 8.6*60; - -/** @brief Reduction factor for consumption rate of dead cells entering necrosis */ -constexpr real_t kReductionConsumptionDeadCells= 0.1; - -/** @} */ // end of Apoptosis Parameters group - - - -/** @name Chemical Diffusion Parameters - * @brief Parameters for substance diffusion and chemical environment - * @{ - */ - -/** @brief Number of voxels per axis in diffusion grid */ -constexpr int kResolutionGridSubstances = 50; - -/** @brief Volume of each voxel in the diffusion grid - * @warning Do not modify this line - */ -constexpr real_t kVoxelVolume = (kBoundedSpaceLength / kResolutionGridSubstances)*(kBoundedSpaceLength / kResolutionGridSubstances)*(kBoundedSpaceLength/ kResolutionGridSubstances); - -/** @name Oxygen Parameters - * @brief Parameters specific to oxygen diffusion and behavior - * @{ - */ - -/** @brief Oxygen diffusion coefficient (micrometers²/minute) */ -constexpr real_t kDiffusionCoefficientOxygen = 100000; - -/** @brief Oxygen decay constant (minutes⁻¹) */ -constexpr real_t kDecayConstantOxygen = 0.1; - -/** @brief Time step for oxygen diffusion calculations (minutes) */ -constexpr real_t kTimeStepOxygen = 0.0005; - -/** @brief Reference oxygen level at simulation boundaries (mmHg) */ -constexpr real_t kOxygenReferenceLevel = 38.; - -/** @brief Initial oxygen concentration in all voxels (mmHg) */ -constexpr real_t kInitialOxygenLevel = 38.0; - -/** @brief Oxygen saturation level in microenvironment (mmHg) */ -constexpr real_t kOxygenSaturation = 30.0; - -/** @} */ // end of Oxygen Parameters group - -/** @name Immunostimulatory Factor Parameters - * @brief Parameters specific to immunostimulatory factor diffusion - * @{ - */ - -/** @brief Immunostimulatory factor diffusion coefficient (micrometers²/minute) */ -constexpr real_t kDiffusionCoefficientImmunostimulatoryFactor = 1000; - -/** @brief Immunostimulatory factor decay constant (minutes⁻¹) */ -constexpr real_t kDecayConstantImmunostimulatoryFactor = 0.016; - -/** @brief Time step for immunostimulatory factor diffusion calculations (minutes) */ -constexpr real_t kTimeStepImmunostimulatoryFactor = 0.01; - -/** @} */ // end of Immunostimulatory Factor Parameters group -/** @} */ // end of Chemical Diffusion Parameters group -/** @name Mechanical Forces Parameters - * @brief Parameters controlling cell-cell interaction forces - * @{ - */ - -/** @name Repulsion Forces - * @brief Repulsion coefficients between different cell types - * @{ - */ - -/** @brief Repulsion coefficient between tumor cells */ -constexpr real_t kRepulsionTumorTumor = 10.0; - -/** @brief Repulsion coefficient between CAR-T cells */ -constexpr real_t kRepulsionCartCart = 50.0; - -/** @brief Repulsion coefficient from CAR-T cells to tumor cells */ -constexpr real_t kRepulsionCartTumor = 50.0; - -/** @brief Repulsion coefficient from tumor cells to CAR-T cells */ -constexpr real_t kRepulsionTumorCart = 10.0; - -/** @} */ // end of Repulsion Forces group - -/** @name Adhesion Forces - * @brief Adhesion coefficients and distance parameters - * @{ - */ - -/** @brief Maximum relative adhesion distance for cell interactions */ -constexpr real_t kMaxRelativeAdhesionDistance =1.25; - -/** @brief Adhesion coefficient between tumor cells */ -constexpr real_t kAdhesionTumorTumor = 0.4; - -/** @brief Adhesion coefficient between CAR-T cells */ -constexpr real_t kAdhesionCartCart = 0.0; - -/** @brief Adhesion coefficient from CAR-T cells to tumor cells */ -constexpr real_t kAdhesionCartTumor = 0.0; - -/** @brief Adhesion coefficient from tumor cells to CAR-T cells */ -constexpr real_t kAdhesionTumorCart = 0.0; - -/** @} */ // end of Adhesion Forces group -/** @} */ // end of Mechanical Forces Parameters group - -/** @name Computational Parameters - * @brief Internal computational parameters and constants - * @{ - */ - -/** @name Adams-Bashforth Coefficients - * @brief Coefficients for two-step Adams-Bashforth time derivative approximation - * - * Position update formula: position(t + dt) ≈ position(t) + dt * [1.5 * velocity(t) - 0.5 * velocity(t - dt)] - * @warning Do not change these values - * @{ - */ - -/** @brief Coefficient for current velocity term (dt × 1.5) */ -constexpr real_t kDnew= 1.5*kDtMechanics; - -/** @brief Coefficient for previous velocity term (dt × -0.5) */ -constexpr real_t kDold = -0.5*kDtMechanics; - -/** @} */ // end of Adams-Bashforth Coefficients group - -/** @brief Length of the mechanics box (micrometers) - * @warning Do not change this line - */ -const real_t kLengthBoxMechanics =22; - -/** @brief Maximum squared distance for considering cells as neighbors in force calculations (μm²) - * - * Calculated as: (0.1 + cell_radius × kMaxRelativeAdhesionDistance)² - * Includes 0.1 μm buffer to avoid numerical errors - * @warning Do not change this line - */ -const real_t kSquaredMaxDistanceNeighborsForce = std::pow(0.1+ std::cbrt(kDefaultVolumeNewTumorCell * 6 / Math::kPi) * kMaxRelativeAdhesionDistance,2); - -/** @} */ // end of Computational Parameters group -/** @} */ // end of General Simulation Hyperparameters group - - -/** @name CAR-T Cell Hyperparameters - * @brief Parameters controlling CAR-T cell behavior and properties - * @{ - */ - -/** @brief Average maximum time until apoptosis for CAR-T cells (minutes) */ +/// Time in minutes until an apoptotic cell is removed from the simulation +constexpr real_t kTimeApoptosis = 8.6*60; +/// Reduction of consumption rate of dead cells when they enter necrosis +constexpr real_t kReductionConsumptionDeadCells= 0.1; + + + +///Chemicals +/// Number of voxels per axis for the substances grid +constexpr int kResolutionGridSubstances = 50; //50 // voxels per axis +/// Volume of a single voxel in μm³ (do not modify this line) +constexpr real_t kVoxelVolume = (kBoundedSpaceLength / kResolutionGridSubstances)*(kBoundedSpaceLength / kResolutionGridSubstances)*(kBoundedSpaceLength/ kResolutionGridSubstances); //Do not modify this line +/// Diffusion coefficient of oxygen in μm²/min +constexpr real_t kDiffusionCoefficientOxygen = 100000; // 100000 micrometers^2/minute +/// Decay constant of oxygen in min⁻¹ +constexpr real_t kDecayConstantOxygen = 0.1; // 0.1 minutes^-1 +/// Diffusion coefficient of immunostimulatory factor in μm²/min +constexpr real_t kDiffusionCoefficientImmunostimulatoryFactor = 1000; // 1000 micrometers^2/minute +/// Decay constant of immunostimulatory factor in min⁻¹ +constexpr real_t kDecayConstantImmunostimulatoryFactor = 0.016; // 0.016 minutes^-1 +/// Time step for oxygen diffusion in minutes +constexpr real_t kTimeStepOxygen = 0.0005; // 0.001 minutes CHANGE +/// Time step for immunostimulatory factor diffusion in minutes +constexpr real_t kTimeStepImmunostimulatoryFactor = 0.01; // 0.01 minutes +/// Reference level of oxygen at the boundaries in mmHg +constexpr real_t kOxygenReferenceLevel = 38.; // Reference level of oxygen at the boundaries of the simulation space in mmHg +/// Initial oxygen concentration in each voxel in mmHg +constexpr real_t kInitialOxygenLevel = 38.0; // Initial voxel concentration of oxygen in mmHg +/// Oxygen saturation in the microenvironment in mmHg +constexpr real_t kOxygenSaturation = 30.0; //30.0 // Oxygen saturation in mmHg in microenvironment +///Forces +/// Repulsion coeficient between tumor cells +constexpr real_t kRepulsionTumorTumor = 10.0; +/// Repulsion coeficient between CAR-T cells +constexpr real_t kRepulsionCartCart = 50.0; +/// Repulsion coeficient between CAR-T cells and tumor cells +constexpr real_t kRepulsionCartTumor = 50.0; +/// Repulsion coeficient between tumor cells and CAR-T cells +constexpr real_t kRepulsionTumorCart = 10.0; +/// Maximum relative adhesion distance for cell interactions +constexpr real_t kMaxRelativeAdhesionDistance =1.25; +/// Adhesion coeficient between tumor cells +constexpr real_t kAdhesionTumorTumor = 0.4; +/// Adhesion coeficient between CAR-T cells +constexpr real_t kAdhesionCartCart = 0.0; +/// Adhesion coeficient between CAR-T cells and tumor cells +constexpr real_t kAdhesionCartTumor = 0.0; +/// Adhesion coeficient between tumor cells and CAR-T cells +constexpr real_t kAdhesionTumorCart = 0.0; + +///Do not change +//coefficientes for the two step Adams-Bashforth approximation of the time derivative for position +//position(t + dt) ≈ position(t) + dt * [ 1.5 * velocity(t) - 0.5 * velocity(t - dt) ] +/// Coefficient for the current time step in the Adams-Bashforth method (dt * 1.5) +constexpr real_t kDnew = 1.5 * kDtMechanics; +/// Coefficient for the previous time step in the Adams-Bashforth method (dt * -0.5) +constexpr real_t kDold = -0.5 * kDtMechanics; + +///Do not change this line +const real_t kLengthBoxMechanics =22; // Length of the box for mechanics in micrometers + +///Max Distance for considering two cells as neighbours for force calculations in μm +///Do not change this line +const real_t kSquaredMaxDistanceNeighborsForce = std::pow(0.1+ std::cbrt(kDefaultVolumeNewTumorCell * 6 / Math::kPi) * kMaxRelativeAdhesionDistance,2);// (twice biggest cell radius (in case to cells tha maximum size encounter each other) times kMaxRelativeAdhesionDistance + 0.1 to avoid mismatch because of numerical errors)**2 + + +/// +/// CAR-T Cell Hyperparameters +/// constexpr real_t kAverageMaximumTimeUntillApoptosisCart= kDtCycle* 10.0 * 24.0 * 60.0; - -/** @name CAR-T Cell Volume Parameters - * @brief Default volume parameters for CAR-T cells - * @{ - */ - -/** @brief Default total volume of a new CAR-T cell (μm³) */ -constexpr real_t kDefaultVolumeNewCartCell = 2494.0; - -/** @brief Default volume of the nucleus of a new CAR-T cell (μm³) */ -constexpr real_t kDefaultVolumeNucleusCartCell = 540.0; - -/** @brief Default fraction of fluid volume in a new CAR-T cell */ -constexpr real_t kDefaultFractionFluidCartCell = 0.75; - -/** @} */ // end of CAR-T Cell Volume Parameters group -/** @} */ // end of CAR-T Cell Hyperparameters group +///Volume parameters +/// Default total volume of a new CAR-T cell in μm³ +constexpr real_t kDefaultVolumeNewCartCell = 2494.0; +/// Default volume of the nucleus of a new CAR-T cell in μm³ +constexpr real_t kDefaultVolumeNucleusCartCell = 540.0; +/// Default fraction of fluid volume in a new CAR-T cell +constexpr real_t kDefaultFractionFluidCartCell = 0.75; } // namespace bdm diff --git a/src/tumor_cell.h b/src/tumor_cell.h index d0de685..c9c6243 100644 --- a/src/tumor_cell.h +++ b/src/tumor_cell.h @@ -76,255 +76,69 @@ class TumorCell : public Cell { BDM_AGENT_HEADER(TumorCell, Cell, 1); public: - /** @brief Default constructor */ TumorCell() {} - /** @brief Constructor with position parameter - * @param position Initial 3D position of the cell - */ explicit TumorCell(const Real3& position); - /** @brief Virtual destructor */ virtual ~TumorCell() {} /** @brief Called when a new agent is created (e.g., after cell division) * @param event The new agent event containing initialization data */ void Initialize(const NewAgentEvent& event) override; - - /** @name State Management - * @brief Methods for managing tumor cell state - * @{ - */ - - /** @brief Set the current state of the tumor cell - * @param state The new state to set - */ +//Getters and Setters void SetState(TumorCellState state) { state_ = state; } - - /** @brief Get the current state of the tumor cell - * @return The current cell state - */ TumorCellState GetState() const { return state_; } - /** @brief Set the timer for tracking time in current state - * @param timer_state Timer value in minutes - */ void SetTimerState(int timer_state) { timer_state_ = timer_state; } - - /** @brief Get the timer for tracking time in current state - * @return Timer value in minutes - */ int GetTimerState() const { return timer_state_; } - /** @} */ // end of State Management group - - /** @name Oncoprotein Management - * @brief Methods for managing oncoprotein expression levels - * @{ - */ - - /** @brief Set the oncoprotein expression level - * @param level The oncoprotein level to set - */ void SetOncoproteineLevel(real_t level); - - /** @brief Get the oncoprotein expression level - * @return The current oncoprotein level - */ - real_t GetOncoproteineLevel() const { return oncoproteine_level_; } + real_t GetOncoproteineLevel() const { return oncoproteine_level_; } - /** @} */ // end of Oncoprotein Management group - - /** @name Volume and Physical Properties - * @brief Methods for managing cell volume and physical characteristics - * @{ - */ - - /** @brief Set the fluid fraction of the cell - * @param fluid_fraction The fluid fraction value - */ void SetFluidFraction(real_t fluid_fraction) { fluid_fraction_ = fluid_fraction; } - - /** @brief Get the fluid fraction of the cell - * @return The current fluid fraction - */ real_t GetFluidFraction() const { return fluid_fraction_; } - /** @brief Set the nuclear volume - * @param nuclear_volume The nuclear volume value - */ void SetNuclearVolume(real_t nuclear_volume) { nuclear_volume_ = nuclear_volume; } - - /** @brief Get the nuclear volume - * @return The current nuclear volume - */ real_t GetNuclearVolume() const { return nuclear_volume_; } - /** @brief Set the target cytoplasm solid volume - * @param target_cytoplasm_solid The target cytoplasm solid volume - */ void SetTargetCytoplasmSolid(real_t target_cytoplasm_solid) { target_cytoplasm_solid_ = target_cytoplasm_solid; } - - /** @brief Get the target cytoplasm solid volume - * @return The target cytoplasm solid volume - */ real_t GetTargetCytoplasmSolid() const { return target_cytoplasm_solid_; } - /** @brief Set the target nucleus solid volume - * @param target_nucleus_solid The target nucleus solid volume - */ void SetTargetNucleusSolid(real_t target_nucleus_solid) { target_nucleus_solid_ = target_nucleus_solid; } - - /** @brief Get the target nucleus solid volume - * @return The target nucleus solid volume - */ - real_t GetTargetNucleusSolid() const { return target_nucleus_solid_; } + real_t GetTargetNucleusSolid() const { return target_nucleus_solid_; } - /** @brief Set the target fraction of fluid - * @param target_fraction_fluid The target fluid fraction - */ void SetTargetFractionFluid(real_t target_fraction_fluid) { target_fraction_fluid_ = target_fraction_fluid; } - - /** @brief Get the target fraction of fluid - * @return The target fluid fraction - */ - real_t GetTargetFractionFluid() const { return target_fraction_fluid_; } + real_t GetTargetFractionFluid() const { return target_fraction_fluid_; } - /** @brief Set the target relation between cytoplasm and nucleus - * @param target_relation_cytoplasm_nucleus The target relation value - */ void SetTargetRelationCytoplasmNucleus(real_t target_relation_cytoplasm_nucleus) { target_relation_cytoplasm_nucleus_ = target_relation_cytoplasm_nucleus; } - - /** @brief Get the target relation between cytoplasm and nucleus - * @return The target relation value - */ real_t GetTargetRelationCytoplasmNucleus() const { return target_relation_cytoplasm_nucleus_; } - /** @} */ // end of Volume and Physical Properties group - - /** @name Transformation and Cell Type - * @brief Methods for managing transformation rates and cell types - * @{ - */ - - /** @brief Set the transformation random rate for state transitions - * - * This rate affects the probability of transitioning between states and - * depends on the individual cell. It remains constant during the cell's lifetime. - */ void SetTransformationRandomRate(); - - /** @brief Get the transformation random rate - * @return The current transformation random rate - */ real_t GetTransformationRandomRate() const { return transformation_random_rate_; } - /** @brief Set the cell type based on oncoprotein level - * @param type Cell type (1-4: 1 is most mutated/proliferative, 4 is least aggressive; 5 means dead) - */ - void SetType(int type) { type_ = type; } - - /** @brief Get the cell type - * @return The current cell type - */ - int GetType() const { return type_; } - - /** @name CAR-T Cell Interaction - * @brief Methods for managing attachment to CAR-T cells - * @{ - */ - - /** @brief Set whether the cell is attached to a CAR-T cell - * @param attached True if attached, false otherwise - */ void SetAttachedToCart(bool attached) { attached_to_cart_ = attached; } - - /** @brief Check if the cell is attached to a CAR-T cell - * @return True if attached to a CAR-T cell, false otherwise - */ bool IsAttachedToCart() const { return attached_to_cart_; } - /** @} */ // end of CAR-T Cell Interaction group - - /** @name Movement and Velocity - * @brief Methods for managing cell movement and velocity - * @{ - */ + void SetType(int type) { type_ = type; } + int GetType() const { return type_; } - /** @brief Get the velocity from the previous time step - * @return The velocity vector from the previous step - */ Real3 GetOlderVelocity() const { return older_velocity_; } - - /** @brief Set the velocity from the previous time step - * @param velocity The velocity vector to set - */ void SetOlderVelocity(const Real3& velocity) { older_velocity_ = velocity; } - /** @} */ // end of Movement and Velocity group - - /** @name Biochemical Properties - * @brief Methods for managing substance consumption and secretion - * @{ - */ - - /** @brief Get the oxygen consumption rate - * @return The current oxygen consumption rate - */ real_t GetOxygenConsumptionRate() const { return oxygen_consumption_rate_; } - - /** @brief Set the oxygen consumption rate - * @param rate The oxygen consumption rate to set - */ void SetOxygenConsumptionRate(real_t rate) { oxygen_consumption_rate_ = rate; } - /** @brief Get the immunostimulatory factor secretion rate - * @return The current immunostimulatory factor secretion rate - */ real_t GetImmunostimulatoryFactorSecretionRate() const { return immunostimulatory_factor_secretion_rate_; } - - /** @brief Set the immunostimulatory factor secretion rate - * @param rate The immunostimulatory factor secretion rate to set - */ void SetImmunostimulatoryFactorSecretionRate(real_t rate) { immunostimulatory_factor_secretion_rate_ = rate; } - /** @} */ // end of Biochemical Properties group - - /** @name Volume Calculations - * @brief Methods for volume calculations - * @{ - */ - - /** @brief Calculate the target total volume of the cell - * @return The target total volume - */ real_t GetTargetTotalVolume(); - /** @} */ // end of Volume Calculations group - - /** @name Diffusion Grids - * @brief Methods for accessing diffusion grids - * @{ - */ - - /** @brief Get the diffusion grid for oxygen - * @return Pointer to the oxygen diffusion grid - */ + /// Returns the diffusion grid for oxygen DiffusionGrid* GetOxygenDiffusionGrid() const { return oxygen_dgrid_; } - - /** @brief Get the diffusion grid for immunostimulatory factors - * @return Pointer to the immunostimulatory factor diffusion grid - */ + /// Returns the diffusion grid for immunostimulatory factors DiffusionGrid* GetImmunostimulatoryFactorDiffusionGrid() const { return immunostimulatory_factor_dgrid_; } - /** @} */ // end of Diffusion Grids group - - /** @name Core Simulation Methods - * @brief Core methods for cell simulation and behavior - * @{ - */ - /** @brief Change volume using exponential relaxation equation * * This method explicitly solves the system of exponential relaxation differential @@ -368,7 +182,6 @@ class TumorCell : public Cell { */ void ComputeConstantsConsumptionSecretion(); - /** @} */ // end of Core Simulation Methods group /** @name Private Member Variables * @brief Private attributes of the tumor cell @@ -471,12 +284,8 @@ class TumorCell : public Cell { struct StateControlGrowProliferate : public Behavior { BDM_BEHAVIOR_HEADER(StateControlGrowProliferate, Behavior, 1); - /** @brief Default constructor - * Calls AlwaysCopyToNew() to ensure the behavior is copied to new cells - */ StateControlGrowProliferate() { AlwaysCopyToNew(); } - /** @brief Virtual destructor */ virtual ~StateControlGrowProliferate() {} /** @brief Execute the state control and growth behavior diff --git a/src/utils_aux.h b/src/utils_aux.h index 480b79f..2866f36 100644 --- a/src/utils_aux.h +++ b/src/utils_aux.h @@ -27,14 +27,9 @@ #include "tumor_cell.h" namespace bdm { - /** @brief Forward declaration of TumorCell class */ + /// Forward declaration of TumorCell class class TumorCell; -/** @name Random Sampling Functions - * @brief Functions for random value generation - * @{ - */ - /** @brief Sample a positive Gaussian value * * Samples a Gaussian value with given mean and standard deviation. @@ -46,13 +41,6 @@ namespace bdm { */ real_t SamplePositiveGaussian(float mean, float sigma); -/** @} */ // end of Random Sampling Functions group - -/** @name Tumor Analysis Functions - * @brief Functions for tumor creation and analysis - * @{ - */ - /** @brief Create a spherical arrangement of tumor cells * * Generates a vector of 3D positions for tumor cells arranged in a spherical @@ -80,13 +68,6 @@ std::vector CreateSphereOfTumorCells(real_t sphere_radius); */ std::tuple ComputeNumberTumorCellsAndRadius(); -/** @} */ // end of Tumor Analysis Functions group - -/** @name Output and Analysis Operations - * @brief Operations for data output and simulation analysis - * @{ - */ - /** @brief Operation for outputting simulation summary data to CSV files * * This operation collects and outputs summary statistics about the simulation @@ -96,21 +77,16 @@ std::tuple ComputeNumber struct OutputSummary : public StandaloneOperationImpl { BDM_OP_HEADER(OutputSummary); - /** @brief Frequency of output (every N simulation steps) */ + ///Frequency of output (every N simulation steps) uint64_t frequency_ = 1; - /** @brief Execute the output operation - * - * Collects current simulation data and writes it to CSV files. - * Called automatically by the simulation scheduler at the specified frequency. - */ + ///Collects current simulation data and writes it to CSV files: Called automatically by the simulation scheduler at the specified frequency. void operator()() override; }; -/** @brief Register OutputSummary operation with CPU as compute target */ +/// Register OutputSummary operation with CPU as compute target inline BDM_REGISTER_OP(OutputSummary, "OutputSummary", kCpu); -/** @} */ // end of Output and Analysis Operations group } // namespace bdm From 07ed3cddb301238d904ef997b738fe0a69636b6e Mon Sep 17 00:00:00 2001 From: Vassil Vassilev Date: Thu, 21 Aug 2025 16:03:02 +0000 Subject: [PATCH 10/47] Add missing include --- src/hyperparams.h | 4 +++- 1 file changed, 3 insertions(+), 1 deletion(-) diff --git a/src/hyperparams.h b/src/hyperparams.h index dccbd06..f4acd9f 100644 --- a/src/hyperparams.h +++ b/src/hyperparams.h @@ -21,6 +21,8 @@ #ifndef TUMOR_HYPERPARAMS_H_ #define TUMOR_HYPERPARAMS_H_ +#include "core/real_t.h" + #include #include @@ -191,4 +193,4 @@ constexpr real_t kDefaultFractionFluidCartCell = 0.75; } // namespace bdm -#endif // TUMOR_HYPERPARAMS_H_ \ No newline at end of file +#endif // TUMOR_HYPERPARAMS_H_ From e716582a28bc3759009ce14bfb6330e588d93a26 Mon Sep 17 00:00:00 2001 From: =?UTF-8?q?Salvador=20de=20la=20Torre=20Gonz=C3=A1lez?= <91910656+salva24@users.noreply.github.com> Date: Fri, 22 Aug 2025 08:11:52 +0200 Subject: [PATCH 11/47] Midterm code push (#1) * all work I have done untill the midterm: tumor replicated from the nature paper including forces and diffusion modules * car-t oxygen consumption * Update README.md Co-authored-by: Vassil Vassilev * Update src/cart_cell.cc Co-authored-by: Vassil Vassilev * still in progress CAR-T displacement * cleaned comments to follow Doxygen-style * changed comments to follow doxygen-style * Remove draft_code_my_own_analysis/ from tracking and add to .gitignore * remove draft_code_my_own_analysis * add to gitignore draft_code_my_own_analysis * fixing comments * [ci] Add basic github actions infrastructure * Update CMakeLists.txt Co-authored-by: Vassil Vassilev * Update README.md Co-authored-by: Vassil Vassilev * Update README.md Co-authored-by: Vassil Vassilev * Update src/cart_cell.cc use *Simulation::GetActive()->GetResourceManager() just once Co-authored-by: Vassil Vassilev * Update src/cart_cell.cc Co-authored-by: Vassil Vassilev * Update src/forces_tumor_cart.cc Co-authored-by: Vassil Vassilev * changed some things to imporve code quality * cart_cell comments fixed * changed all comments to /// in the .h and changed some of them * changed the project name + new readme part Results * minor change spelling * 30-days simulation --------- Co-authored-by: Vassil Vassilev --- CMakeLists.txt | 1 + README.md | 24 ++- src/cart_cell.cc | 49 +----- src/cart_cell.h | 163 +++++++++----------- src/diffusion_thomas_algorithm.cc | 28 ++-- src/diffusion_thomas_algorithm.h | 203 +++++++++++-------------- src/forces_tumor_cart.cc | 7 +- src/forces_tumor_cart.h | 33 ++--- src/hyperparams.h | 7 +- src/tumor_cell.h | 239 ++++++++++++------------------ src/utils_aux.h | 106 ++++++------- 11 files changed, 358 insertions(+), 502 deletions(-) diff --git a/CMakeLists.txt b/CMakeLists.txt index 7b83cc5..c56ee3b 100644 --- a/CMakeLists.txt +++ b/CMakeLists.txt @@ -14,6 +14,7 @@ cmake_minimum_required(VERSION 3.19.3) project(cart_tumor) + # BioDynaMo curretly uses the C++17 standard. set(CMAKE_CXX_STANDARD 17) diff --git a/README.md b/README.md index 9019f51..42c47e8 100644 --- a/README.md +++ b/README.md @@ -14,8 +14,10 @@ The simulation integrates computational modeling and biological insights to expl 3. [Installation](#installation) 4. [Building the Simulation](#building-the-simulation) 5. [Running the Simulation](#running-the-simulation) -6. [Acknowledgments](#acknowledgments) -7. [License](#license) +6. [Visualizing Results](#results) +7. [Acknowledgments](#acknowledgments) +8. [License](#license) + --- @@ -49,7 +51,8 @@ By adjusting biological and therapeutic parameters, the model enables **in silic Clone the repository: ```bash git clone https://github.com/compiler-research/CARTopiaX.git -cd cart_tumor +cd CARTopiaX + ``` --- @@ -85,7 +88,20 @@ biodynamo run **Option 2:** Directly from the build directory: ```bash -./build/cart_tumor + +./build/CARTopiaX +``` + +--- + +## Results + +Data about tumor growth and diffrent types of cell populations is output in ./output/final_data.csv + +To visualize the results in paraview use: +```bash +paraview ./output/CARTopiaX/CARTopiaX.pvsm + ``` --- diff --git a/src/cart_cell.cc b/src/cart_cell.cc index 6a03011..c94961a 100644 --- a/src/cart_cell.cc +++ b/src/cart_cell.cc @@ -38,6 +38,7 @@ CartCell::CartCell(const Real3& position) { SetNuclearVolume(kDefaultVolumeNucleusCartCell); + ResourceManager &rm = *Simulation::GetActive()->GetResourceManager(); // Pointer to oxygen diffusion grid oxygen_dgrid_ = rm.GetDiffusionGrid("oxygen"); @@ -64,7 +65,9 @@ CartCell::CartCell(const Real3& position) { // Cart cells can move if they are alive and not attached to a tumor cell bool CartCell::DoesCellMove() { + return (state_ == CartCellState::kAlive && !attached_to_tumor_cell_); + } @@ -135,11 +138,13 @@ Real3 CartCell::CalculateDisplacement(const InteractionForce* force, squared_radius=kSquaredMaxDistanceNeighborsForce; // the physics force to move the point mass + Real3 translation_velocity_on_point_mass{0, 0, 0}; // We check for every neighbor object if they touch us, i.e. push us // away and agreagate the velocities + uint64_t non_zero_neighbor_forces = 0; if (!IsStatic()) { auto* ctxt = Simulation::GetActive()->GetExecutionContext(); @@ -161,53 +166,11 @@ Real3 CartCell::CalculateDisplacement(const InteractionForce* force, } } + // Two step Adams-Bashforth approximation of the time derivative for position // position(t + dt) ≈ position(t) + dt * [ 1.5 * velocity(t) - 0.5 * velocity(t - dt) ] movement_at_next_step += translation_velocity_on_point_mass * kDnew + older_velocity_ * kDold; - //Debug - // std::ofstream file1("output/movement_at_next_step.csv", std::ios::app); - // if (file1.is_open()) { - - // // Calculate time in days, hours, minutes - // double total_minutes = Simulation::GetActive()->GetScheduler()->GetSimulatedTime(); - // // Write data to CSV file - // file1 - // << "minute"<GetScheduler()->GetSimulatedTime(); - // double modulus_total_displacement = movement_at_next_step[0] * movement_at_next_step[0] + - // movement_at_next_step[1] * movement_at_next_step[1] + - // movement_at_next_step[2] * movement_at_next_step[2]; - // modulus_total_displacement = std::sqrt(modulus_total_displacement); - // Real3 position = GetPosition(); - // // Write data to CSV file - // file - // << total_minutes << "," - // << position[0] << "," - // << position[1] << "," - // << position[2] << "," - // << movement_at_next_step[0] << "," - // << movement_at_next_step[1] << "," - // << movement_at_next_step[2] << "," - // << modulus_total_displacement << "\n"; - // } - // End Debug Output - older_velocity_ = translation_velocity_on_point_mass; // Displacement diff --git a/src/cart_cell.h b/src/cart_cell.h index 1a47612..06e00b0 100644 --- a/src/cart_cell.h +++ b/src/cart_cell.h @@ -30,31 +30,22 @@ namespace bdm { - -/** - * @brief Enumeration defining the possible states of a CAR-T cell - * - * This enum class represents the different states that a CAR-T cell can be in - * during its lifecycle in the simulation. - */ +/// Enumeration defining the possible states of a CAR-T cell +/// +/// This enum class represents the different states that a CAR-T cell can be in +/// during its lifecycle in the simulation. enum class CartCellState : int { - /** @brief Living cell state - the cell is alive and functioning normally */ - kAlive=0, + kAlive=0,///< Living cell state - the cell is alive and functioning normally - /** @brief Apoptotic phase - the cell is undergoing programmed cell death - * characterized by cell shrinkage and controlled death - */ - kApoptotic=1 + kApoptotic=1///< Apoptotic phase - the cell is undergoing programmed cell death characterized by cell shrinkage and controlled death }; -/** - * @brief CAR-T cell class implementation - * - * This class represents a CAR-T (Chimeric Antigen Receptor T-cell) in the simulation. - * It inherits from the base Cell class and includes specific behaviors and properties - * related to CAR-T cell biology, including states, volume dynamics, and interactions - * with tumor cells. - */ +/// CAR-T cell class implementation +/// +/// This class represents a CAR-T (Chimeric Antigen Receptor T-cell) in the simulation. +/// It inherits from the base Cell class and includes specific behaviors and properties +/// related to CAR-T cell biology, including states, volume dynamics, and interactions +/// with tumor cells. class CartCell : public Cell { BDM_AGENT_HEADER(CartCell, Cell, 1); @@ -113,124 +104,110 @@ class CartCell : public Cell { /// Returns the diffusion grid for immunostimulatory factors DiffusionGrid* GetImmunostimulatoryFactorDiffusionGrid() const { return immunostimulatory_factor_dgrid_; } - /** @brief Change volume using exponential relaxation equation - * - * This method explicitly solves the system of exponential relaxation differential - * equations using a discrete update step. It is used to grow or shrink the volume - * (and proportions) smoothly toward a desired target volume over time. The relaxation - * rate controls the speed of convergence and dt=1 (the time_step). - * - * @param relaxation_rate_cytoplasm Relaxation rate for cytoplasm volume changes - * @param relaxation_rate_nucleus Relaxation rate for nucleus volume changes - * @param relaxation_rate_fluid Relaxation rate for fluid volume changes - */ + /// Change volume using exponential relaxation equation + /// + /// This method explicitly solves the system of exponential relaxation differential + /// equations using a discrete update step. It is used to grow or shrink the volume + /// (and proportions) smoothly toward a desired target volume over time. The relaxation + /// rate controls the speed of convergence and dt=1 (the time_step). + /// + /// @param relaxation_rate_cytoplasm Relaxation rate for cytoplasm volume changes + /// @param relaxation_rate_nucleus Relaxation rate for nucleus volume changes + /// @param relaxation_rate_fluid Relaxation rate for fluid volume changes void ChangeVolumeExponentialRelaxationEquation(real_t relaxation_rate_cytoplasm, real_t relaxation_rate_nucleus, real_t relaxation_rate_fluid); - /** @brief Calculate displacement of the cell - * - * Computes the displacement of the cell based on interaction forces. - * - * @param force Pointer to the interaction force object - * @param squared_radius The squared radius of the cell - * @param dt The time step for the simulation - * @return The calculated displacement vector - */ + /// Calculate displacement of the cell + /// + /// Computes the displacement of the cell based on interaction forces. + /// + /// @param force Pointer to the interaction force object + /// @param squared_radius The squared radius of the cell + /// @param dt The time step for the simulation + /// @return The calculated displacement vector Real3 CalculateDisplacement(const InteractionForce* force, real_t squared_radius, real_t dt) override; - /** @brief Consume or secrete substances - * - * Computes new oxygen or immunostimulatory factor concentration after - * consumption or secretion by the cell. - * - * @param substance_id The ID of the substance (oxygen or immunostimulatory factor) - * @param old_concentration The previous concentration of the substance - * @return The new concentration after consumption/secretion - */ + /// Consume or secrete substances + /// + /// Computes new oxygen or immunostimulatory factor concentration after + /// consumption or secretion by the cell. + /// + /// @param substance_id The ID of the substance (oxygen or immunostimulatory factor) + /// @param old_concentration The previous concentration of the substance + /// @return The new concentration after consumption/secretion real_t ConsumeSecreteSubstance(int substance_id, real_t old_concentration); - /** @brief Compute constants for consumption and secretion - * - * Updates constants after the cell's change of volume or quantities. - * These constants are used in the consumption/secretion differential equations. - */ + /// Compute constants for consumption and secretion + /// + /// Updates constants after the cell's change of volume or quantities. + /// These constants are used in the consumption/secretion differential equations. void ComputeConstantsConsumptionSecretion(); - - /** @name Private Member Variables - * @brief Private attributes of the CAR-T cell - * @{ - */ private: - /** @brief Current state of the CAR-T cell */ + /// Current state of the CAR-T cell CartCellState state_; - /** @brief Timer to track time in the current state (in minutes) - * Used for apoptotic state timing - */ + /// Timer to track time in the current state (in minutes) + /// Used for apoptotic state timing int timer_state_; - /** @brief Pointer to the oxygen diffusion grid */ + /// Pointer to the oxygen diffusion grid DiffusionGrid* oxygen_dgrid_; - /** @brief Pointer to the immunostimulatory factor diffusion grid */ + /// Pointer to the immunostimulatory factor diffusion grid DiffusionGrid* immunostimulatory_factor_dgrid_; - /** @brief Flag indicating if the cell is attached to a tumor cell */ + /// Flag indicating if the cell is attached to a tumor cell bool attached_to_tumor_cell_; - /** @brief Current time until apoptosis */ + /// Current time until apoptosis real_t current_live_time_; - /** @brief Fluid fraction of the cell volume */ + /// Fluid fraction of the cell volume real_t fluid_fraction_; - /** @brief Volume of the nucleus */ + /// Volume of the nucleus real_t nuclear_volume_; - /** @brief Target cytoplasm solid volume for exponential relaxation - * Used during volume changes following exponential relaxation equation - */ + /// Target cytoplasm solid volume for exponential relaxation + /// Used during volume changes following exponential relaxation equation real_t target_cytoplasm_solid_; - /** @brief Target nucleus solid volume for exponential relaxation */ + /// Target nucleus solid volume for exponential relaxation real_t target_nucleus_solid_; - /** @brief Target fluid fraction for exponential relaxation */ + /// Target fluid fraction for exponential relaxation real_t target_fraction_fluid_; - /** @brief Target relation between cytoplasm and nucleus volumes */ + /// Target relation between cytoplasm and nucleus volumes real_t target_relation_cytoplasm_nucleus_; - /** @brief Velocity of the cell in the previous time step */ + /// Velocity of the cell in the previous time step Real3 older_velocity_; - /** @brief Rate of oxygen consumption by the cell */ + /// Rate of oxygen consumption by the cell real_t oxygen_consumption_rate_; - /** @brief Rate of immunostimulatory factor secretion by the cell */ + /// Rate of immunostimulatory factor secretion by the cell real_t immunostimulatory_factor_secretion_rate_; - /** @brief Constant 1 for oxygen consumption/secretion differential equation solution */ + /// Constant 1 for oxygen consumption/secretion differential equation solution real_t constant1_oxygen_; - /** @brief Constant 2 for oxygen consumption/secretion differential equation solution */ + /// Constant 2 for oxygen consumption/secretion differential equation solution real_t constant2_oxygen_; - /** @brief Pointer to the attached tumor cell */ + /// Pointer to the attached tumor cell TumorCell* attached_cell_; - /** @} */ // end of Private Member Variables group }; -/** - * @brief Behavior class for controlling CAR-T cell state transitions - * - * This behavior handles the state control logic for CAR-T cells, managing - * transitions between different cell states such as alive and apoptotic phases. - * It inherits from the base Behavior class and implements the Run method to - * execute the state control logic during simulation steps. - */ +/// Behavior class for controlling CAR-T cell state transitions +/// +/// This behavior handles the state control logic for CAR-T cells, managing +/// transitions between different cell states: alive and apoptotic phases. +/// It inherits from the base Behavior class and implements the Run method to +/// execute the state control logic during simulation steps. struct StateControlCart : public Behavior { BDM_BEHAVIOR_HEADER(StateControlCart, Behavior, 1); @@ -238,9 +215,7 @@ struct StateControlCart : public Behavior { virtual ~StateControlCart() {} - /** @brief Execute the state control behavior - * @param agent Pointer to the agent (cell) on which to apply the behavior - */ + /// Execute the state control behavior void Run(Agent* agent) override; }; diff --git a/src/diffusion_thomas_algorithm.cc b/src/diffusion_thomas_algorithm.cc index 515fec0..6c6962c 100644 --- a/src/diffusion_thomas_algorithm.cc +++ b/src/diffusion_thomas_algorithm.cc @@ -22,6 +22,7 @@ #include "core/simulation.h" #include "hyperparams.h" #include "tumor_cell.h" +#include "cart_cell.h" namespace bdm { @@ -160,25 +161,7 @@ void DiffusionThomasAlgorithm::Step(real_t dt) {//instead of overwriting Step, i } DiffuseChemical(dt); - //This should be done this way instead but there is a bug in BioDynaMo that makes bc_type be "Neumann" no matter what. In future versions of BioDynaMo this should be fixed - // auto bc_type = Simulation::GetActive()->GetParam()->diffusion_boundary_condition; - // std::cout << bc_type << std::endl; - // if (bc_type == "Closed") { - // DiffuseWithClosedEdge(dt); - // } else if (bc_type == "Open" ) { - // DiffuseWithOpenEdge(dt); - // } else if (bc_type == "Dirichlet") { - // DiffuseWithDirichlet(dt); - // } else if (bc_type == "Neumann") { - // DiffuseWithNeumann(dt); - // } else if (bc_type == "Periodic") { - // DiffuseWithPeriodic(dt); - // } else { - // Log::Error( - // "DiffusionThomasAlgorithm::Diffuse", "Boundary condition of type '", - // bc_type, - // "' is not implemented. Defaulting to 'closed' boundary condition"); - // } + //This should be done considering different border cases instead of using the dirichlet_border_ flag. However, there is a bug in BioDynaMo that makes bc_type be "Neumann" no matter what. In future versions of BioDynaMo this should be fixed } @@ -278,6 +261,13 @@ void DiffusionThomasAlgorithm::ComputeConsumptionsSecretions() { //in a future version of BioDynaMo this should be parallelized getting the agents inside each chemical voxel and trating each voxel independently. rm->ForEachAgent([this, current_time](bdm::Agent* agent) { if (auto* cell = dynamic_cast(agent)) { + // Handle TumorCell agents + const auto& pos = cell->GetPosition(); + real_t conc = this->GetValue(pos); + real_t new_conc = cell->ConsumeSecreteSubstance(GetContinuumId(),conc); + this->ChangeConcentrationBy(pos, new_conc - conc, InteractionMode::kAdditive, false); + } else if (auto* cell = dynamic_cast(agent)) { + // Handle CartCell agents const auto& pos = cell->GetPosition(); real_t conc = GetValue(pos); real_t new_conc = cell->ConsumeSecreteSubstance(GetContinuumId(),conc); diff --git a/src/diffusion_thomas_algorithm.h b/src/diffusion_thomas_algorithm.h index 20e3fc4..32c92d4 100644 --- a/src/diffusion_thomas_algorithm.h +++ b/src/diffusion_thomas_algorithm.h @@ -27,12 +27,10 @@ namespace bdm { -/** - * @brief Continuum model for the 3D heat equation with exponential decay - * - * Implements the diffusion equation: ∂t u = ∇D∇u - μu - * Uses the Thomas algorithm for solving tridiagonal systems efficiently. - */ +/// Continuum model for the 3D heat equation with exponential decay +/// +/// Implements the diffusion equation, solved implicitly: ∂t u = ∇D∇u - μu +/// Uses the Thomas algorithm for solving tridiagonal systems efficiently. class DiffusionThomasAlgorithm : public DiffusionGrid { public: DiffusionThomasAlgorithm() = default; @@ -53,10 +51,8 @@ class DiffusionThomasAlgorithm : public DiffusionGrid { void SetConcentration(size_t idx, real_t amount); - /* - * These methods are overridden but empty because they are not used. - * This should be fixed in future versions of BioDynaMo. - */ + /// These methods are overridden but empty because they are not used. + /// This should be fixed in future versions of BioDynaMo. void DiffuseWithClosedEdge(real_t dt) override{}; void DiffuseWithOpenEdge(real_t dt) override{}; void DiffuseWithNeumann(real_t dt) override{}; @@ -64,161 +60,128 @@ class DiffusionThomasAlgorithm : public DiffusionGrid { void DiffuseWithDirichlet(real_t dt) override{}; - /** @brief Perform chemical diffusion using Thomas algorithm - * - * Computes the diffusion of the substance using the Thomas algorithm - * for solving tridiagonal systems efficiently. - * - * @param dt Time step for the diffusion computation - */ + /// Perform chemical diffusion using Thomas algorithm + /// + /// Computes the diffusion of the substance using the Thomas algorithm + /// for solving tridiagonal systems efficiently. + /// + /// @param dt Time step for the diffusion computation void DiffuseChemical(real_t dt); - /** @brief Execute one simulation step - * - * Main stepping function that performs one time step of the simulation, - * including diffusion and cellular consumption/secretion. - * - * @param dt Time step for the simulation - */ + /// Execute one simulation step + /// + /// Main stepping function that performs one time step of the simulation, + /// including diffusion and cellular consumption/secretion. + /// + /// @param dt Time step for the simulation void Step(real_t dt) override; - /** @brief Compute cellular consumption and secretion effects - * - * Handles secretion or consumption of substances following the differential equation: - * - * ∂ρ/∂t = ∇·(D ∇ρ) − λ · ρ + sum_{cells in voxel}((V_k / V_voxel) · [ S_k · ( ρ*_k − ρ ) − (S_k + U_k) · ρ ]) - * - * Where: - * - ρ = concentration of the substance in the microenvironment - * - S_k = secretion rate of cell k - * - U_k = uptake (consumption) rate of cell k - * - ρ*_k = saturation (target) density for secretion - * - V_k = volume of cell k (approximated to default volume of new tumor cell) - * - V_voxel = volume of the voxel containing the cell - * - dt = simulation time step - * - * In this class, we only model the secretion and consumption of the substance, - * not its diffusion, which follows: - * (ρ − σ)/dt = sum_{cells in voxel}((V_k / V_voxel) · [ S_k · ( ρ*_k − ρ ) − (S_k + U_k) · ρ ]) - * - * Where σ is the concentration at the previous time step (may include diffusion term). - * The solution is: - * ρⁿ⁺¹ = (ρⁿ + dt · (V_k / V_voxel) · S_k · ρ*_k) / [1 + dt · (V_k / V_voxel) · (S_k + U_k)] - * - * Where: - * - ρⁿ = current concentration - * - ρⁿ⁺¹ = updated concentration after secretion/uptake - * - * This assumes secretion is toward a saturation level, and uptake is proportional to ρ. - * - * In a future version, consider using a Behavior associated to each agent but controlling the time in which it is applied so that it is executed always after the diffusion module - * - */ + + /// Compute cellular consumption and secretion effects + /// + /// Handles secretion or consumption of substances following the differential equation: + /// + /// ∂ρ/∂t = ∇·(D ∇ρ) − λ · ρ + sum_{cells in voxel}((V_k / V_voxel) · [ S_k · ( ρ*_k − ρ ) − (S_k + U_k) · ρ ]) + /// + /// Where: + /// - ρ = concentration of the substance in the microenvironment + /// - S_k = secretion rate of cell k + /// - U_k = uptake (consumption) rate of cell k + /// - ρ*_k = saturation (target) density for secretion + /// - V_k = volume of cell k (approximated to default volume of new tumor cell) + /// - V_voxel = volume of the voxel containing the cell + /// - dt = simulation time step + /// + /// In this class, we only model the secretion and consumption of the substance, + /// not its diffusion, which follows: + /// (ρ − σ)/dt = sum_{cells in voxel}((V_k / V_voxel) · [ S_k · ( ρ*_k − ρ ) − (S_k + U_k) · ρ ]) + /// + /// Where σ is the concentration at the previous time step (may include diffusion term). + /// The solution is: + /// ρⁿ⁺¹ = (ρⁿ + dt · (V_k / V_voxel) · S_k · ρ*_k) / [1 + dt · (V_k / V_voxel) · (S_k + U_k)] + /// + /// Where: + /// - ρⁿ = current concentration + /// - ρⁿ⁺¹ = updated concentration after secretion/uptake + /// + /// This assumes secretion is toward a saturation level, and uptake is proportional to ρ. + /// + /// In a future version, consider using a Behavior associated to each agent but controlling the time in which it is applied so that it is executed always after the diffusion module void ComputeConsumptionsSecretions(); - /** @name Private Member Variables - * @brief Internal data structures and parameters - * @{ - */ private: - /** @brief Number of voxels in each spatial direction */ + /// Number of voxels in each spatial direction size_t resolution_; - /** @brief Voxel side length in micrometers */ + /// Voxel side length in micrometers real_t d_space_; - /** @name Thomas Algorithm Coefficients - * @brief Precomputed coefficients for Thomas algorithm in each direction - * @{ - */ - - /** @brief Denominators for x-direction Thomas algorithm */ + /// Denominators for x-direction Thomas algorithm std::vector thomas_denom_x_; - /** @brief Coefficients for x-direction Thomas algorithm */ + /// Coefficients for x-direction Thomas algorithm std::vector thomas_c_x_; - /** @brief Denominators for y-direction Thomas algorithm */ + /// Denominators for y-direction Thomas algorithm std::vector thomas_denom_y_; - /** @brief Coefficients for y-direction Thomas algorithm */ + /// Coefficients for y-direction Thomas algorithm std::vector thomas_c_y_; - /** @brief Denominators for z-direction Thomas algorithm */ + /// Denominators for z-direction Thomas algorithm std::vector thomas_denom_z_; - /** @brief Coefficients for z-direction Thomas algorithm */ + /// Coefficients for z-direction Thomas algorithm std::vector thomas_c_z_; - /** @} */ // end of Thomas Algorithm Coefficients group - - /** @name Index Jump Values - * @brief Precomputed index jumps for 3D array traversal - * @{ - */ - - /** @brief Index jump for i-direction (x-axis) */ + /// Index jump for i-direction (x-axis) int jump_i_; - /** @brief Index jump for j-direction (y-axis) */ + /// Index jump for j-direction (y-axis) int jump_j_; - /** @brief Index jump for k-direction (z-axis) */ + /// Index jump for k-direction (z-axis) int jump_k_; - /** @} */ // end of Index Jump Values group - - /** @name Precomputed Constants - * @brief Constants used in diffusion calculations - * @{ - */ - - /** @brief First diffusion constant */ + /// First diffusion constant real_t constant1_; - /** @brief Alternative first diffusion constant */ + /// Alternative first diffusion constant real_t constant1a_; - /** @brief Second diffusion constant */ + /// Second diffusion constant real_t constant2_; - /** @brief Third diffusion constant */ + /// Third diffusion constant real_t constant3_; - /** @brief Alternative third diffusion constant */ + /// Alternative third diffusion constant real_t constant3a_; - /** @} */ // end of Precomputed Constants group - - /** @brief Flag indicating Dirichlet boundary conditions */ + /// Flag indicating Dirichlet boundary conditions bool dirichlet_border_; - /** @} */ // end of Private Member Variables group - - /** @brief Initialize Thomas algorithm coefficient vectors - * - * Sets up the precomputed coefficients for efficient Thomas algorithm - * execution in the specified direction. - * - * @param thomas_denom Reference to denominator vector to initialize - * @param thomas_c Reference to coefficient vector to initialize - */ + /// Initialize Thomas algorithm coefficient vectors + /// + /// Sets up the precomputed coefficients for efficient Thomas algorithm + /// execution in the specified direction. + /// + /// @param thomas_denom Reference to denominator vector to initialize + /// @param thomas_c Reference to coefficient vector to initialize void InitializeThomasAlgorithmVectors(std::vector& thomas_denom, std::vector& thomas_c); - /** @brief Apply Dirichlet boundary conditions to the diffusion grid - * - * Sets the boundary values according to Dirichlet boundary conditions, - * maintaining constant values at the grid boundaries. - */ + /// Apply Dirichlet boundary conditions to the diffusion grid + /// + /// Sets the boundary values according to Dirichlet boundary conditions, + /// maintaining constant values at the grid boundaries. void ApplyDirichletBoundaryConditions(); - /** @brief Convert 3D coordinates to linear index - * - * @param x X-coordinate in voxel space - * @param y Y-coordinate in voxel space - * @param z Z-coordinate in voxel space - * @return Linear index in the flattened 3D array - */ + /// Convert 3D coordinates to linear index + /// + /// @param x X-coordinate in voxel space + /// @param y Y-coordinate in voxel space + /// @param z Z-coordinate in voxel space + /// @return Linear index in the flattened 3D array size_t GetBoxIndex(size_t x, size_t y, size_t z) const; diff --git a/src/forces_tumor_cart.cc b/src/forces_tumor_cart.cc index 4d2e594..463124e 100644 --- a/src/forces_tumor_cart.cc +++ b/src/forces_tumor_cart.cc @@ -25,13 +25,12 @@ namespace bdm { Real4 InteractionVelocity::Calculate(const Agent* lhs, const Agent* rhs) const { - auto* a = static_cast(lhs); - auto* b = static_cast(rhs); + auto* a = dynamic_cast(lhs); + auto* b = dynamic_cast(rhs); // Ignore self-interaction - if (a->GetUid() == b->GetUid()) { + if (a->GetUid() == b->GetUid()) return {0.0, 0.0, 0.0, 0.0}; - } Real3 displacement = a->GetPosition() - b->GetPosition(); diff --git a/src/forces_tumor_cart.h b/src/forces_tumor_cart.h index ca86d95..b167b11 100644 --- a/src/forces_tumor_cart.h +++ b/src/forces_tumor_cart.h @@ -31,30 +31,27 @@ namespace bdm { -/** - * @brief Custom interaction force implementation for velocity-based cell interactions - * - * This class implements a specialized interaction force that takes into account - * the velocity of cells when calculating forces between agents (tumor cells and CAR-T cells). - * It extends the base InteractionForce class to provide custom force calculations - * specific to the tumor-CAR-T cell interaction simulation. - */ +/// Custom interaction force implementation for velocity-based cell interactions +/// +/// This class implements a specialized interaction force that takes into account +/// the velocity of cells when calculating forces between agents (tumor cells and CAR-T cells). +/// It extends the base InteractionForce class to provide custom force calculations +/// specific to the tumor-CAR-T cell interaction simulation. class InteractionVelocity : public InteractionForce { public: InteractionVelocity() = default; ~InteractionVelocity() override = default; - /** @brief Calculate interaction force between two agents - * - * Computes the force vector between two agents (cells) based on their - * positions, properties, and velocities. This method is called by the - * mechanical forces operation during each simulation step. - * - * @param lhs Pointer to the first agent (left-hand side) - * @param rhs Pointer to the second agent (right-hand side) - * @return Real4 vector containing the force components (fx, fy, fz, magnitude) - */ + /// Calculate interaction force between two agents + /// + /// Computes the force vector between two agents (cells) based on their + /// positions, properties, and velocities. This method is called by the + /// mechanical forces operation during each simulation step. + /// + /// @param lhs Pointer to the first agent (left-hand side) + /// @param rhs Pointer to the second agent (right-hand side) + /// @return Real4 vector containing the force components (fx, fy, fz, magnitude) Real4 Calculate(const Agent* lhs, const Agent* rhs) const override; InteractionForce* NewCopy() const override; diff --git a/src/hyperparams.h b/src/hyperparams.h index f4acd9f..0c47ecc 100644 --- a/src/hyperparams.h +++ b/src/hyperparams.h @@ -21,17 +21,16 @@ #ifndef TUMOR_HYPERPARAMS_H_ #define TUMOR_HYPERPARAMS_H_ -#include "core/real_t.h" - #include #include namespace bdm { +///This file contains hyperparameters used in the simulation. Change: In a future version it needs to be changed into a params file with no need to be recompiled - - +/// /// TumorCell Hyperparameters +/// /// Rate of secretion of immunostimulatory factor of tumor cells per minute constexpr real_t kRateSecretionImmunostimulatoryFactor= 10.0; diff --git a/src/tumor_cell.h b/src/tumor_cell.h index c9c6243..156f11e 100644 --- a/src/tumor_cell.h +++ b/src/tumor_cell.h @@ -29,49 +29,30 @@ namespace bdm { -/** - * @brief Enumeration representing the different states of a tumor cell - * - * This enum class defines the various states a tumor cell can be in during its lifecycle, - * including different proliferation phases based on Ki67 protein expression and various - * death pathways (necrosis and apoptosis). - */ +/// Enumeration representing the different states of a tumor cell +/// +/// This enum class defines the various states a tumor cell can be in during its lifecycle, +/// and various death pathways (necrosis and apoptosis). enum class TumorCellState : int { - /** @brief Living cell state - cell is alive and can potentially proliferate */ - kAlive=0, - - /** @brief Necrotic swelling phase - * - * The cell loses membrane integrity and starts absorbing fluid, swelling abnormally - * in volume before rupture. This is the first phase of necrotic cell death. - */ - kNecroticSwelling = 1, + kAlive=0,///< Living cell state - cell is alive and can potentially proliferate + + kNecroticSwelling = 1,///< Necrotic swelling phase: The cell loses membrane integrity and starts absorbing fluid, swelling abnormally, in volume before rupture. This is the first phase of necrotic cell death. + kNecroticLysed = 2,///< Necrotic lysed phase: The cell membrane breaks apart, releasing its contents. The cell will be removed from the simulation after a defined time. - /** @brief Necrotic lysed phase - * - * The cell membrane breaks apart, releasing its contents. The cell is now considered - * dead and will be removed from the simulation after a defined time. - */ - kNecroticLysed = 2, - - /** @brief Apoptotic phase - * - * The cell is undergoing programmed cell death characterized by cell shrinkage. - * This is a controlled form of cell death. - */ - kApoptotic=3 + kApoptotic=3///< Apoptotic phase: The cell is undergoing programmed cell death characterized by cell shrinkage. This is a controlled form of cell death. }; -/** - * @brief Tumor cell class implementation - * - * This class represents a tumor cell in the simulation with capabilities for: - * - Different cellular states (alive, necrotic, apoptotic) - * - Volume dynamics with exponential relaxation - * - Oxygen consumption and immunostimulatory factor secretion - * - Oncoprotein expression levels - * - Interactions with CAR-T cells - */ +/// Tumor cell class implementation +/// +/// This class represents a cancer cell that forms a heterogeneous tumor in the simulation. +/// The class includes capabilities for: +/// - Different cellular states (alive, necrotic, apoptotic) +/// - Volume dynamics with exponential relaxation +/// - Cell division for tumor proliferation +/// - Oxygen consumption and immunostimulatory factor secretion +/// - Displacement computation applying pushing/adhesive forces between cells +/// - Oncoprotein expression levels +/// - Interactions with CAR-T cells class TumorCell : public Cell { BDM_AGENT_HEADER(TumorCell, Cell, 1); @@ -82,11 +63,11 @@ class TumorCell : public Cell { virtual ~TumorCell() {} - /** @brief Called when a new agent is created (e.g., after cell division) - * @param event The new agent event containing initialization data - */ + /// Called when a new agent is created (after cell division) + /// @param event The new agent event containing initialization data void Initialize(const NewAgentEvent& event) override; -//Getters and Setters + + ///Getters and Setters void SetState(TumorCellState state) { state_ = state; } TumorCellState GetState() const { return state_; } @@ -139,148 +120,124 @@ class TumorCell : public Cell { /// Returns the diffusion grid for immunostimulatory factors DiffusionGrid* GetImmunostimulatoryFactorDiffusionGrid() const { return immunostimulatory_factor_dgrid_; } - /** @brief Change volume using exponential relaxation equation - * - * This method explicitly solves the system of exponential relaxation differential - * equations using a discrete update step. It is used to grow or shrink the volume - * (and proportions) smoothly toward a desired target volume over time. The relaxation - * rate controls the speed of convergence and dt=1 (the time_step). - * - * @param relaxation_rate_cytoplasm Relaxation rate for cytoplasm volume changes - * @param relaxation_rate_nucleus Relaxation rate for nucleus volume changes - * @param relaxation_rate_fluid Relaxation rate for fluid volume changes - */ + /// Change volume using exponential relaxation equation + /// + /// This method explicitly solves the system of exponential relaxation differential + /// equations using a discrete update step. It is used to grow or shrink the volume + /// (and proportions) smoothly toward a desired target volume over time. The relaxation + /// rate controls the speed of convergence and dt=1 (the time_step). + /// + /// @param relaxation_rate_cytoplasm Relaxation rate for cytoplasm volume changes + /// @param relaxation_rate_nucleus Relaxation rate for nucleus volume changes + /// @param relaxation_rate_fluid Relaxation rate for fluid volume changes void ChangeVolumeExponentialRelaxationEquation(real_t relaxation_rate_cytoplasm, real_t relaxation_rate_nucleus, real_t relaxation_rate_fluid); - /** @brief Calculate displacement of the cell - * - * Computes the displacement of the cell based on interaction forces. - * - * @param force Pointer to the interaction force object - * @param squared_radius The squared radius of the cell - * @param dt The time step for the simulation - * @return The calculated displacement vector - */ + /// Calculate displacement of the cell + /// + /// Computes the displacement of the cell based on interaction forces. + /// + /// @param force Pointer to the interaction force object + /// @param squared_radius The squared radius of the cell + /// @param dt The time step for the simulation + /// @return The calculated displacement vector Real3 CalculateDisplacement(const InteractionForce* force, real_t squared_radius, real_t dt) override; - /** @brief Consume or secrete substances - * - * Computes new oxygen or immunostimulatory factor concentration after - * consumption or secretion by the cell. - * - * @param substance_id The ID of the substance (oxygen or immunostimulatory factor) - * @param old_concentration The previous concentration of the substance - * @return The new concentration after consumption/secretion - */ + /// Consume or secrete substances + /// + /// Computes new oxygen or immunostimulatory factor concentration after + /// consumption or secretion by the cell. + /// + /// @param substance_id The ID of the substance (oxygen or immunostimulatory factor) + /// @param old_concentration The previous concentration of the substance + /// @return The new concentration after consumption/secretion real_t ConsumeSecreteSubstance(int substance_id, real_t old_concentration); - /** @brief Compute constants for consumption and secretion - * - * Updates constants after the cell's change of volume or quantities. - * These constants are used in the consumption/secretion differential equations. - */ + /// Compute constants for consumption and secretion + /// + /// Updates constants after the cell's change of volume or quantities. + /// These constants are used in the consumption/secretion differential equations. void ComputeConstantsConsumptionSecretion(); - - /** @name Private Member Variables - * @brief Private attributes of the tumor cell - * @{ - */ private: - /** @brief Current state of the tumor cell */ + /// Current state of the tumor cell TumorCellState state_; - /** @brief Timer to track time in the current state (in minutes) */ + /// Timer to track time in the current state (in minutes) int timer_state_; - /** @brief Pointer to the oxygen diffusion grid */ + /// Pointer to the oxygen diffusion grid DiffusionGrid* oxygen_dgrid_; - /** @brief Pointer to the immunostimulatory factor diffusion grid */ + /// Pointer to the immunostimulatory factor diffusion grid DiffusionGrid* immunostimulatory_factor_dgrid_; - /** @brief Level of oncoprotein expression */ + /// Level of oncoprotein expression real_t oncoproteine_level_; - /** @brief Transition random rate between states - * - * Affects the probability of transitioning and depends on the individual cell. - * This rate is kept constant during the cell's lifetime. - */ + /// Transition random rate between states: + /// Affects the probability of transitioning and depends on the individual cell. + /// This rate is kept constant during the cell's lifetime. real_t transformation_random_rate_; - /** @brief Flag indicating if the cell is attached to a CAR-T cell */ + /// Flag indicating if the cell is attached to a CAR-T cell bool attached_to_cart_; - /** @brief Fluid fraction of the cell volume */ + /// Fluid fraction of the cell volume real_t fluid_fraction_; - /** @brief Volume of the nucleus */ + /// Volume of the nucleus real_t nuclear_volume_; - /** @brief Target cytoplasm solid volume for exponential relaxation - * - * Used for growing or shrinking tumor cells. The volume change follows - * an exponential relaxation equation toward this target volume. - */ + /// Target cytoplasm solid volume for exponential relaxation + /// + /// Used for growing or shrinking tumor cells. The volume change follows + /// an exponential relaxation equation toward this target volume. real_t target_cytoplasm_solid_; - /** @brief Target nucleus solid volume for exponential relaxation */ + /// Target nucleus solid volume for exponential relaxation real_t target_nucleus_solid_; - /** @brief Target fluid fraction for exponential relaxation */ + /// Target fluid fraction for exponential relaxation real_t target_fraction_fluid_; - /** @brief Target relation between cytoplasm and nucleus volumes */ + /// Target relation between cytoplasm and nucleus volumes real_t target_relation_cytoplasm_nucleus_; - /** @brief Cell type according to oncoprotein level - * - * Types 1-4: 1 is the most mutated and proliferative type, 4 is the least aggressive. - * Type 5 means the cell is dead. - */ + /// Cell type according to oncoprotein level: + /// Types 1-4: 1 is the most mutated and proliferative type, 4 is the least aggressive. + /// Type 5 means the cell is dead. int type_; - /** @brief Velocity of the cell in the previous time step */ + /// Velocity of the cell in the previous time step Real3 older_velocity_; - /** @brief Rate of oxygen consumption by the cell */ + /// Rate of oxygen consumption by the cell real_t oxygen_consumption_rate_; - /** @brief Rate of immunostimulatory factor secretion by the cell */ + /// Rate of immunostimulatory factor secretion by the cell real_t immunostimulatory_factor_secretion_rate_; - /** @name Consumption/Secretion Constants - * @brief Constants for consumption/secretion differential equation solutions - * @{ - */ - - /** @brief Constant 1 for oxygen consumption/secretion differential equation solution */ + /// Constant 1 for oxygen consumption/secretion differential equation solution real_t constant1_oxygen_; - /** @brief Constant 2 for oxygen consumption/secretion differential equation solution */ + /// Constant 2 for oxygen consumption/secretion differential equation solution real_t constant2_oxygen_; - /** @brief Constant 1 for immunostimulatory factor consumption/secretion differential equation solution */ + /// Constant 1 for immunostimulatory factor consumption/secretion differential equation solution real_t constant1_immunostimulatory_factor_; - /** @brief Constant 2 for immunostimulatory factor consumption/secretion differential equation solution */ + /// Constant 2 for immunostimulatory factor consumption/secretion differential equation solution real_t constant2_immunostimulatory_factor_; - /** @} */ // end of Consumption/Secretion Constants group - - /** @} */ // end of Private Member Variables group }; -/** - * @brief Behavior class for controlling tumor cell state transitions and growth - * - * This behavior handles the state control logic for tumor cells, managing - * transitions between different cell states, growth, proliferation, and death - * processes. It includes logic for determining when cells should enter necrosis - * based on oxygen levels and other environmental factors. - */ +/// Behavior class for controlling tumor cell state transitions and growth +/// +/// This behavior handles the state control logic for tumor cells, managing +/// transitions between different cell states, growth, proliferation, and death +/// processes. It includes logic for determining when cells should enter necrosis +/// based on oxygen levels and other environmental factors. struct StateControlGrowProliferate : public Behavior { BDM_BEHAVIOR_HEADER(StateControlGrowProliferate, Behavior, 1); @@ -288,21 +245,17 @@ struct StateControlGrowProliferate : public Behavior { virtual ~StateControlGrowProliferate() {} - /** @brief Execute the state control and growth behavior - * @param agent Pointer to the agent (cell) on which to apply the behavior - */ + /// Execute the state control and growth behavior void Run(Agent* agent) override; private: - /** @brief Compute the probability of the cell entering necrosis - * - * Determines whether a cell should enter necrosis based on oxygen levels - * and other cellular conditions. - * - * @param oxygen_level Current oxygen concentration at the cell's location - * @param cell Pointer to the tumor cell being evaluated - * @return True if the cell should enter necrosis, false otherwise - */ + /// Compute the probability of the cell entering necrosis + /// + /// Determines whether a cell should enter necrosis based on oxygen levels + /// + /// @param oxygen_level Current oxygen concentration at the cell's location + /// @param cell Pointer to the tumor cell being evaluated + /// @return True if the cell should enter necrosis, false otherwise bool ShouldEnterNecrosis(real_t oxygen_level,TumorCell* cell) const; }; diff --git a/src/utils_aux.h b/src/utils_aux.h index 2866f36..8bb5f3e 100644 --- a/src/utils_aux.h +++ b/src/utils_aux.h @@ -27,66 +27,66 @@ #include "tumor_cell.h" namespace bdm { - /// Forward declaration of TumorCell class - class TumorCell; + /// Forward declaration of TumorCell class + class TumorCell; -/** @brief Sample a positive Gaussian value - * - * Samples a Gaussian value with given mean and standard deviation. - * All negative values are mapped to zero to ensure positive results. - * - * @param mean Mean value of the Gaussian distribution - * @param sigma Standard deviation of the Gaussian distribution - * @return Sampled positive value (negative values mapped to zero) - */ -real_t SamplePositiveGaussian(float mean, float sigma); + /// Sample a positive Gaussian value + /// + /// Samples a Gaussian value with given mean and standard deviation. + /// All negative values are mapped to zero to ensure positive results. + /// + /// @param mean Mean value of the Gaussian distribution + /// @param sigma Standard deviation of the Gaussian distribution + /// @return Sampled positive value (negative values mapped to zero) + real_t SamplePositiveGaussian(float mean, float sigma); -/** @brief Create a spherical arrangement of tumor cells - * - * Generates a vector of 3D positions for tumor cells arranged in a spherical - * pattern with the specified radius. The cells are positioned to form a - * realistic tumor structure. - * - * @param sphere_radius Radius of the spherical tumor in micrometers - * @return Vector of 3D positions where tumor cells should be placed - */ -std::vector CreateSphereOfTumorCells(real_t sphere_radius); + /// Create a spherical arrangement of tumor cells + /// + /// Generates a vector of 3D positions for tumor cells arranged in a spherical + /// pattern with the specified radius. The cells are positioned to form a + /// forces-stable structure. The achieved tumor mimics a heterogeneous organoid thanks + /// to the different cancer cell types that can be randomly generated + /// + /// @param sphere_radius Radius of the spherical tumor in micrometers + /// @return Vector of 3D positions where tumor cells should be placed + std::vector CreateSphereOfTumorCells(real_t sphere_radius); -/** @brief Compute tumor statistics and characteristics - * - * Analyzes the current tumor population to compute the number of tumor cells - * of each type and the overall radius of the tumor mass. - * - * @return Tuple containing: - * - Number of type 1 tumor cells (most aggressive) - * - Number of type 2 tumor cells - * - Number of type 3 tumor cells - * - Number of type 4 tumor cells (least aggressive) - * - Number of type 5 tumor cells (dead) - * - Total number of tumor cells - * - Current tumor radius in micrometers - */ -std::tuple ComputeNumberTumorCellsAndRadius(); - -/** @brief Operation for outputting simulation summary data to CSV files - * - * This operation collects and outputs summary statistics about the simulation - * state to CSV files for post-processing and analysis. It includes information - * about cell populations, tumor characteristics, and other relevant metrics. - */ -struct OutputSummary : public StandaloneOperationImpl { - BDM_OP_HEADER(OutputSummary); + /// Compute tumor statistics and characteristics + /// + /// Analyzes the current tumor population to compute the number of tumor cells + /// of each type and the overall radius of the tumor mass. + /// + /// @return Tuple containing: + /// - Number of type 1 tumor cells (most aggressive) + /// - Number of type 2 tumor cells + /// - Number of type 3 tumor cells + /// - Number of type 4 tumor cells (least aggressive) + /// - Number of type 5 tumor cells (dead) + /// - Total number of tumor cells + /// - Current tumor radius in micrometers + std::tuple ComputeNumberTumorCellsAndRadius(); - ///Frequency of output (every N simulation steps) - uint64_t frequency_ = 1; + /// Operation for outputting simulation summary data to CSV files + /// + /// This operation collects and outputs summary statistics about the simulation + /// state to CSV files for post-processing and analysis. It includes information + /// about cell populations, tumor characteristics, and other relevant metrics. + struct OutputSummary : public StandaloneOperationImpl { + BDM_OP_HEADER(OutputSummary); - ///Collects current simulation data and writes it to CSV files: Called automatically by the simulation scheduler at the specified frequency. - void operator()() override; -}; + /// Frequency of output (every N simulation steps) + uint64_t frequency_ = 1; -/// Register OutputSummary operation with CPU as compute target -inline BDM_REGISTER_OP(OutputSummary, "OutputSummary", kCpu); + /// Collects current simulation data and writes it to CSV files + /// + /// Called automatically by the simulation scheduler at the specified frequency. + /// Gathers statistics about cell populations, tumor radius, and other metrics, + /// then outputs them to appropriately named CSV files for analysis. + void operator()() override; + }; + /// Register OutputSummary operation with CPU as compute target + inline BDM_REGISTER_OP(OutputSummary, "OutputSummary", kCpu); } // namespace bdm From 382137e49412960c298ee9c5c6144f04f287fb49 Mon Sep 17 00:00:00 2001 From: Vassil Vassilev Date: Fri, 22 Aug 2025 06:16:19 +0000 Subject: [PATCH 12/47] Adjust checks --- .clang-tidy | 4 +++- 1 file changed, 3 insertions(+), 1 deletion(-) diff --git a/.clang-tidy b/.clang-tidy index f25eb79..68dc3bd 100644 --- a/.clang-tidy +++ b/.clang-tidy @@ -11,7 +11,9 @@ Checks: > openmp-* performance-*, portability-*, - readability-* + readability-*, + -modernize-use-trailing-return-type, + -readability-identifier-length CheckOptions: - key: google-readability-braces-around-statements.ShortStatementLines From dcd68b336ed44cb55d6e5178382779588c42ccf4 Mon Sep 17 00:00:00 2001 From: salva24 Date: Fri, 22 Aug 2025 10:29:14 +0200 Subject: [PATCH 13/47] commit trial --- src/forces_tumor_cart.cc | 1 - 1 file changed, 1 deletion(-) diff --git a/src/forces_tumor_cart.cc b/src/forces_tumor_cart.cc index 463124e..182dfef 100644 --- a/src/forces_tumor_cart.cc +++ b/src/forces_tumor_cart.cc @@ -73,7 +73,6 @@ Real4 InteractionVelocity::Calculate(const Agent* lhs, const Agent* rhs) const { repulsion = std::sqrt(kRepulsionCartTumor * kRepulsionTumorCart); } - // std::cout << "repulsion = " << repulsion<< std::endl;// Debug output temp_r *= repulsion; } From 723f67308ca8de1d762514ae16ab236e30718716 Mon Sep 17 00:00:00 2001 From: salva24 Date: Fri, 22 Aug 2025 10:32:50 +0200 Subject: [PATCH 14/47] add missing include again --- src/hyperparams.h | 2 ++ 1 file changed, 2 insertions(+) diff --git a/src/hyperparams.h b/src/hyperparams.h index 0c47ecc..3e62904 100644 --- a/src/hyperparams.h +++ b/src/hyperparams.h @@ -21,6 +21,8 @@ #ifndef TUMOR_HYPERPARAMS_H_ #define TUMOR_HYPERPARAMS_H_ +#include "core/real_t.h" + #include #include From 3366052961383494eda83d8e30bc18a28118cc0f Mon Sep 17 00:00:00 2001 From: salva24 Date: Fri, 22 Aug 2025 15:08:44 +0200 Subject: [PATCH 15/47] solving some clang-tidy issues --- src/cart_cell.cc | 12 ++++++++++-- src/cart_cell.h | 4 +--- src/cart_tumor.cc | 2 ++ src/diffusion_thomas_algorithm.h | 1 - src/forces_tumor_cart.cc | 6 +++++- src/forces_tumor_cart.h | 8 ++------ src/tumor_cell.cc | 7 +++++-- src/tumor_cell.h | 6 +----- src/utils_aux.cc | 3 +++ src/utils_aux.h | 3 --- 10 files changed, 29 insertions(+), 23 deletions(-) diff --git a/src/cart_cell.cc b/src/cart_cell.cc index c94961a..8f2481d 100644 --- a/src/cart_cell.cc +++ b/src/cart_cell.cc @@ -19,6 +19,14 @@ */ #include "cart_cell.h" +#include "tumor_cell.h" +#include "core/container/math_array.h" +#include "hyperparams.h" +#include "core/resource_manager.h" +#include "core/real_t.h" +#include "core/interaction_force.h" +#include "utils_aux.h" + namespace bdm { @@ -71,7 +79,7 @@ bool CartCell::DoesCellMove() { } -real_t CartCell::GetTargetTotalVolume() { +real_t CartCell::GetTargetTotalVolume() const { return GetTargetNucleusSolid() * (1 + GetTargetRelationCytoplasmNucleus()) / (1 - GetTargetFractionFluid()); } @@ -130,7 +138,7 @@ void CartCell::ChangeVolumeExponentialRelaxationEquation(real_t relaxation_rate_ //compute Displacement Real3 CartCell::CalculateDisplacement(const InteractionForce* force, - real_t squared_radius, real_t dt) { + real_t squared_radius, real_t /*dt*/) { // real_t h = dt; Real3 movement_at_next_step{0, 0, 0}; diff --git a/src/cart_cell.h b/src/cart_cell.h index 06e00b0..8424c74 100644 --- a/src/cart_cell.h +++ b/src/cart_cell.h @@ -24,8 +24,6 @@ #include "biodynamo.h" #include "core/util/log.h" #include "core/util/root.h" -#include "utils_aux.h" -#include "hyperparams.h" #include "tumor_cell.h" namespace bdm { @@ -97,7 +95,7 @@ class CartCell : public Cell { /// Returns whether the cell moves by its own bool DoesCellMove(); - real_t GetTargetTotalVolume(); + real_t GetTargetTotalVolume() const; /// Returns the diffusion grid for oxygen DiffusionGrid* GetOxygenDiffusionGrid() const { return oxygen_dgrid_; } diff --git a/src/cart_tumor.cc b/src/cart_tumor.cc index 7e30490..012cf38 100644 --- a/src/cart_tumor.cc +++ b/src/cart_tumor.cc @@ -20,10 +20,12 @@ #include "cart_tumor.h" #include "tumor_cell.h" #include "cart_cell.h" +#include "hyperparams.h" #include "diffusion_thomas_algorithm.h" #include "forces_tumor_cart.h" #include "core/environment/uniform_grid_environment.h" #include "core/operation/mechanical_forces_op.h" +#include "utils_aux.h" namespace bdm { diff --git a/src/diffusion_thomas_algorithm.h b/src/diffusion_thomas_algorithm.h index 32c92d4..e8057e5 100644 --- a/src/diffusion_thomas_algorithm.h +++ b/src/diffusion_thomas_algorithm.h @@ -22,7 +22,6 @@ #define DIFFUSION_THOMAS_ALGORITHM_H_ #include - #include "core/diffusion/diffusion_grid.h" namespace bdm { diff --git a/src/forces_tumor_cart.cc b/src/forces_tumor_cart.cc index 182dfef..9b335b5 100644 --- a/src/forces_tumor_cart.cc +++ b/src/forces_tumor_cart.cc @@ -18,8 +18,12 @@ * for the compiler-research.org organization. */ -#include "forces_tumor_cart.h" +#include "forces_tumor_cart.h" +#include "core/operation/mechanical_forces_op.h" +#include "hyperparams.h" +#include "utils_aux.h" +#include "tumor_cell.h" namespace bdm { diff --git a/src/forces_tumor_cart.h b/src/forces_tumor_cart.h index b167b11..189293c 100644 --- a/src/forces_tumor_cart.h +++ b/src/forces_tumor_cart.h @@ -20,14 +20,10 @@ #ifndef FORCES_TUMOR_CART_H_ #define FORCES_TUMOR_CART_H_ + #include "core/interaction_force.h" -#include "core/operation/mechanical_forces_op.h" #include "biodynamo.h" -#include "core/util/log.h" -#include "core/util/root.h" -#include "hyperparams.h" -#include "utils_aux.h" -#include "tumor_cell.h" + namespace bdm { diff --git a/src/tumor_cell.cc b/src/tumor_cell.cc index 3f76e9f..c975516 100644 --- a/src/tumor_cell.cc +++ b/src/tumor_cell.cc @@ -18,6 +18,9 @@ * for the compiler-research.org organization. */ #include "tumor_cell.h" +#include "hyperparams.h" +#include "utils_aux.h" + namespace bdm { @@ -113,7 +116,7 @@ void TumorCell::SetTransformationRandomRate() { transformation_random_rate_ = 1/(std::max(SamplePositiveGaussian(38.6,3.7)*60., 1e-16)); } -real_t TumorCell::GetTargetTotalVolume() { +real_t TumorCell::GetTargetTotalVolume() const { return GetTargetNucleusSolid() * (1 + GetTargetRelationCytoplasmNucleus()) / (1 - GetTargetFractionFluid()); } @@ -196,7 +199,7 @@ void TumorCell::ChangeVolumeExponentialRelaxationEquation(real_t relaxation_rate //compute Displacement Real3 TumorCell::CalculateDisplacement(const InteractionForce* force, - real_t squared_radius, real_t dt) { + real_t squared_radius, real_t /*dt*/) { Real3 movement_at_next_step{0, 0, 0}; // this should be chaged in a future version of BioDynaMo in order to have a cleaner code instead of hardcoding it here diff --git a/src/tumor_cell.h b/src/tumor_cell.h index 156f11e..f1bbb1b 100644 --- a/src/tumor_cell.h +++ b/src/tumor_cell.h @@ -22,10 +22,6 @@ #define TUMOR_CELL_H_ #include "biodynamo.h" -#include "core/util/log.h" -#include "core/util/root.h" -#include "hyperparams.h" -#include "utils_aux.h" namespace bdm { @@ -113,7 +109,7 @@ class TumorCell : public Cell { real_t GetImmunostimulatoryFactorSecretionRate() const { return immunostimulatory_factor_secretion_rate_; } void SetImmunostimulatoryFactorSecretionRate(real_t rate) { immunostimulatory_factor_secretion_rate_ = rate; } - real_t GetTargetTotalVolume(); + real_t GetTargetTotalVolume() const; /// Returns the diffusion grid for oxygen DiffusionGrid* GetOxygenDiffusionGrid() const { return oxygen_dgrid_; } diff --git a/src/utils_aux.cc b/src/utils_aux.cc index 15594b4..7cae589 100644 --- a/src/utils_aux.cc +++ b/src/utils_aux.cc @@ -18,6 +18,9 @@ * for the compiler-research.org organization. */ #include "utils_aux.h" +#include "hyperparams.h" +#include "core/util/random.h" +#include "tumor_cell.h" namespace bdm { diff --git a/src/utils_aux.h b/src/utils_aux.h index 8bb5f3e..da75090 100644 --- a/src/utils_aux.h +++ b/src/utils_aux.h @@ -22,9 +22,6 @@ #define CORE_UTIL_UTILS_AUX_H_ #include "biodynamo.h" -#include "core/util/random.h" -#include "hyperparams.h" -#include "tumor_cell.h" namespace bdm { /// Forward declaration of TumorCell class From 4d6cab9f90531ea7fb8b9e8ad438c34205e214db Mon Sep 17 00:00:00 2001 From: salva24 Date: Fri, 22 Aug 2025 15:09:42 +0200 Subject: [PATCH 16/47] one more include --- src/cart_cell.cc | 1 + 1 file changed, 1 insertion(+) diff --git a/src/cart_cell.cc b/src/cart_cell.cc index 8f2481d..b77b9c2 100644 --- a/src/cart_cell.cc +++ b/src/cart_cell.cc @@ -26,6 +26,7 @@ #include "core/real_t.h" #include "core/interaction_force.h" #include "utils_aux.h" +#include namespace bdm { From c9761b0950072c0ac16f4f2f1bab566077905017 Mon Sep 17 00:00:00 2001 From: salva24 Date: Fri, 22 Aug 2025 17:13:27 +0200 Subject: [PATCH 17/47] files formated --- src/cart_cell.cc | 226 ++++++----- src/cart_cell.h | 156 ++++--- src/cart_tumor.cc | 90 +++-- src/cart_tumor.h | 3 +- src/diffusion_thomas_algorithm.cc | 218 +++++----- src/diffusion_thomas_algorithm.h | 120 +++--- src/forces_tumor_cart.cc | 121 +++--- src/forces_tumor_cart.h | 26 +- src/hyperparams.h | 209 +++++----- src/tumor_cell.cc | 651 ++++++++++++++++++------------ src/tumor_cell.h | 205 ++++++---- src/utils_aux.cc | 146 ++++--- src/utils_aux.h | 111 ++--- 13 files changed, 1323 insertions(+), 959 deletions(-) diff --git a/src/cart_cell.cc b/src/cart_cell.cc index b77b9c2..24a7fa2 100644 --- a/src/cart_cell.cc +++ b/src/cart_cell.cc @@ -1,5 +1,6 @@ /* - * Copyright 2025 compiler-research.org, Salvador de la Torre Gonzalez, Luciana Melina Luque + * Copyright 2025 compiler-research.org, Salvador de la Torre Gonzalez, Luciana + * Melina Luque * * Licensed under the Apache License, Version 2.0 (the "License"); * you may not use this file except in compliance with the License. @@ -19,15 +20,14 @@ */ #include "cart_cell.h" -#include "tumor_cell.h" +#include #include "core/container/math_array.h" -#include "hyperparams.h" -#include "core/resource_manager.h" -#include "core/real_t.h" #include "core/interaction_force.h" +#include "core/real_t.h" +#include "core/resource_manager.h" +#include "hyperparams.h" +#include "tumor_cell.h" #include "utils_aux.h" -#include - namespace bdm { @@ -38,86 +38,101 @@ CartCell::CartCell(const Real3& position) { // Initial timer_state for apoptotic state timer_state_ = 0; - //volumes - // Set default volume + // volumes + // Set default volume SetVolume(kDefaultVolumeNewCartCell); // Set default fluid fraction SetFluidFraction(kDefaultFractionFluidCartCell); // Set default nuclear volume SetNuclearVolume(kDefaultVolumeNucleusCartCell); - - - ResourceManager &rm = *Simulation::GetActive()->GetResourceManager(); + ResourceManager& rm = *Simulation::GetActive()->GetResourceManager(); // Pointer to oxygen diffusion grid oxygen_dgrid_ = rm.GetDiffusionGrid("oxygen"); // Pointer to immunostimulatory_factor diffusion grid - immunostimulatory_factor_dgrid_ = rm.GetDiffusionGrid("immunostimulatory_factor"); + immunostimulatory_factor_dgrid_ = + rm.GetDiffusionGrid("immunostimulatory_factor"); // Initially not attached to a tumor cell - attached_to_tumor_cell_ = false; + attached_to_tumor_cell_ = false; // Initialize attached cell pointer to null attached_cell_ = nullptr; // Initialize the velocity of the cell in the previous step to zero older_velocity_ = {0, 0, 0}; - SetCurrentLiveTime(kAverageMaximumTimeUntillApoptosisCart); - //Add Consumption and Secretion - // Set default oxygen consumption rate + // Add Consumption and Secretion + // Set default oxygen consumption rate SetOxygenConsumptionRate(kDefaultOxygenConsumption); // Compute constants for all ConsumptionSecretion of Oxygen ComputeConstantsConsumptionSecretion(); - } // Cart cells can move if they are alive and not attached to a tumor cell bool CartCell::DoesCellMove() { - - return (state_ == CartCellState::kAlive && !attached_to_tumor_cell_); - + return (state_ == CartCellState::kAlive && !attached_to_tumor_cell_); } - real_t CartCell::GetTargetTotalVolume() const { - return GetTargetNucleusSolid() * (1 + GetTargetRelationCytoplasmNucleus()) / (1 - GetTargetFractionFluid()); + return GetTargetNucleusSolid() * (1 + GetTargetRelationCytoplasmNucleus()) / + (1 - GetTargetFractionFluid()); } -// This method explicitly solves the system of exponential relaxation differential equation using a discrete -// update step. It is used to shrink the volume (and proportions) smoothly toward a desired target -// volume over time whe the cell is apoptotic. The relaxations rate controls the speed of convergence -void CartCell::ChangeVolumeExponentialRelaxationEquation(real_t relaxation_rate_cytoplasm, real_t relaxation_rate_nucleus, real_t relaxation_rate_fluid) { +// This method explicitly solves the system of exponential relaxation +// differential equation using a discrete update step. It is used to shrink the +// volume (and proportions) smoothly toward a desired target volume over time +// whe the cell is apoptotic. The relaxations rate controls the speed of +// convergence +void CartCell::ChangeVolumeExponentialRelaxationEquation( + real_t relaxation_rate_cytoplasm, real_t relaxation_rate_nucleus, + real_t relaxation_rate_fluid) { // Exponential relaxation towards the target volume real_t current_total_volume = GetVolume(); - real_t fluid_fraction= GetFluidFraction(); + real_t fluid_fraction = GetFluidFraction(); real_t nuclear_volume = GetNuclearVolume(); real_t current_nuclear_solid = nuclear_volume * (1 - fluid_fraction); - real_t current_cytoplasm_solid = (current_total_volume - nuclear_volume) * (1-fluid_fraction); + real_t current_cytoplasm_solid = + (current_total_volume - nuclear_volume) * (1 - fluid_fraction); real_t current_fluid = fluid_fraction * current_total_volume; // Update fluid volume - real_t new_fluid = current_fluid + kDtCycle* relaxation_rate_fluid * (GetTargetFractionFluid() * current_total_volume - current_fluid); + real_t new_fluid = + current_fluid + + kDtCycle * relaxation_rate_fluid * + (GetTargetFractionFluid() * current_total_volume - current_fluid); // Clamp to zero to prevent negative volumes - if (new_fluid < 0.0) { new_fluid = 0.0; } - - real_t nuclear_fluid = new_fluid* ( nuclear_volume/ current_total_volume); + if (new_fluid < 0.0) { + new_fluid = 0.0; + } + + real_t nuclear_fluid = new_fluid * (nuclear_volume / current_total_volume); // real_t cytoplasm_fluid = new_fluid - nuclear_fluid; - real_t nuclear_solid = current_nuclear_solid + kDtCycle * relaxation_rate_nucleus * (GetTargetNucleusSolid() - current_nuclear_solid); + real_t nuclear_solid = current_nuclear_solid + + kDtCycle * relaxation_rate_nucleus * + (GetTargetNucleusSolid() - current_nuclear_solid); // Clamp to zero to prevent negative volumes - if (nuclear_solid < 0.0) { nuclear_solid = 0.0; } + if (nuclear_solid < 0.0) { + nuclear_solid = 0.0; + } - real_t target_cytoplasm_solid = GetTargetRelationCytoplasmNucleus() * GetTargetNucleusSolid(); - real_t cytoplasm_solid = current_cytoplasm_solid + kDtCycle * relaxation_rate_cytoplasm * (target_cytoplasm_solid - current_cytoplasm_solid); + real_t target_cytoplasm_solid = + GetTargetRelationCytoplasmNucleus() * GetTargetNucleusSolid(); + real_t cytoplasm_solid = + current_cytoplasm_solid + + kDtCycle * relaxation_rate_cytoplasm * + (target_cytoplasm_solid - current_cytoplasm_solid); // Clamp to zero to prevent negative volumes - if (cytoplasm_solid < 0.0) { cytoplasm_solid = 0.0; } + if (cytoplasm_solid < 0.0) { + cytoplasm_solid = 0.0; + } - real_t new_total_solid= nuclear_solid + cytoplasm_solid; + real_t new_total_solid = nuclear_solid + cytoplasm_solid; - real_t total_nuclear= nuclear_solid + nuclear_fluid; + real_t total_nuclear = nuclear_solid + nuclear_fluid; // real_t total_cytoplasm= cytoplasm_solid + cytoplasm_fluid; @@ -125,26 +140,27 @@ void CartCell::ChangeVolumeExponentialRelaxationEquation(real_t relaxation_rate_ // Avoid division by zero real_t new_fraction_fluid = new_fluid / (1e-16 + new_volume); - + // Update the cell's properties // if the volume has changed - if (new_volume!= current_total_volume){ + if (new_volume != current_total_volume) { SetVolume(new_volume); - // Update constants for all ConsumptionSecretion of Oxygen and Immunostimulatory Factors + // Update constants for all ConsumptionSecretion of Oxygen and + // Immunostimulatory Factors ComputeConstantsConsumptionSecretion(); } SetFluidFraction(new_fraction_fluid); SetNuclearVolume(total_nuclear); } -//compute Displacement +// compute Displacement Real3 CartCell::CalculateDisplacement(const InteractionForce* force, - real_t squared_radius, real_t /*dt*/) { - + real_t squared_radius, real_t /*dt*/) { // real_t h = dt; Real3 movement_at_next_step{0, 0, 0}; - // this should be chaged in a future version of BioDynaMo in order to have a cleaner code instead of hardcoding it here - squared_radius=kSquaredMaxDistanceNeighborsForce; + // this should be chaged in a future version of BioDynaMo in order to have a + // cleaner code instead of hardcoding it here + squared_radius = kSquaredMaxDistanceNeighborsForce; // the physics force to move the point mass @@ -153,7 +169,6 @@ Real3 CartCell::CalculateDisplacement(const InteractionForce* force, // We check for every neighbor object if they touch us, i.e. push us // away and agreagate the velocities - uint64_t non_zero_neighbor_forces = 0; if (!IsStatic()) { auto* ctxt = Simulation::GetActive()->GetExecutionContext(); @@ -175,10 +190,11 @@ Real3 CartCell::CalculateDisplacement(const InteractionForce* force, } } - // Two step Adams-Bashforth approximation of the time derivative for position - // position(t + dt) ≈ position(t) + dt * [ 1.5 * velocity(t) - 0.5 * velocity(t - dt) ] - movement_at_next_step += translation_velocity_on_point_mass * kDnew + older_velocity_ * kDold; + // position(t + dt) ≈ position(t) + dt * [ 1.5 * velocity(t) - 0.5 * + // velocity(t - dt) ] + movement_at_next_step += + translation_velocity_on_point_mass * kDnew + older_velocity_ * kDold; older_velocity_ = translation_velocity_on_point_mass; @@ -186,25 +202,29 @@ Real3 CartCell::CalculateDisplacement(const InteractionForce* force, return movement_at_next_step; } -//Compute new oxygen or immunostimulatory factor concentration after consumption/ secretion -real_t CartCell::ConsumeSecreteSubstance(int substance_id, real_t old_concentration) { +// Compute new oxygen or immunostimulatory factor concentration after +// consumption/ secretion +real_t CartCell::ConsumeSecreteSubstance(int substance_id, + real_t old_concentration) { real_t res; if (substance_id == oxygen_dgrid_->GetContinuumId()) { // consuming oxygen - res= (old_concentration + constant1_oxygen_) / constant2_oxygen_; - } else if (substance_id == immunostimulatory_factor_dgrid_->GetContinuumId()) { + res = (old_concentration + constant1_oxygen_) / constant2_oxygen_; + } else if (substance_id == + immunostimulatory_factor_dgrid_->GetContinuumId()) { // This point should never be reached - res= old_concentration; + res = old_concentration; } else { - throw std::invalid_argument("Unknown substance id: " + std::to_string(substance_id)); + throw std::invalid_argument("Unknown substance id: " + + std::to_string(substance_id)); } return res; } -//Recompute Consumption constants whenever oxygen_consumption_rate_ or the volume changes +// Recompute Consumption constants whenever oxygen_consumption_rate_ or the +// volume changes void CartCell::ComputeConstantsConsumptionSecretion() { - - // constant1_= dt · (V_k / V_voxel) · S_k · ρ*_k) + // constant1_= dt · (V_k / V_voxel) · S_k · ρ*_k) // constant2_ = [1 + dt · (V_k / V_voxel) · (S_k + U_k)] // where: // S_k = secretion rate of cell k @@ -214,64 +234,82 @@ void CartCell::ComputeConstantsConsumptionSecretion() { // V_voxel = volume of the voxel containing the cell // dt = simulation time step real_t volume = GetVolume(); - //compute the constants for the differential equation explicit solution: for oxygen and immunostimulatory factor - //dt*(cell_volume/voxel_volume)*quantity_secretion*substance_saturation = dt · (V_k / V_voxel) · S_k · ρ*_k) + // compute the constants for the differential equation explicit solution: for + // oxygen and immunostimulatory factor + // dt*(cell_volume/voxel_volume)*quantity_secretion*substance_saturation = dt + // · (V_k / V_voxel) · S_k · ρ*_k) constant1_oxygen_ = 0.; - //1 + dt*(cell_volume/voxel_volume)*(quantity_secretion + quantity_consumption ) = [1 + dt · (V_k / V_voxel) · (S_k + U_k)] - // Scale by the volume of the cell in the Voxel and time step - constant2_oxygen_ = 1 + kDtSubstances * (volume/kVoxelVolume) * (oxygen_consumption_rate_); + // 1 + dt*(cell_volume/voxel_volume)*(quantity_secretion + + // quantity_consumption ) = [1 + dt · (V_k / V_voxel) · (S_k + U_k)] + // Scale by the volume of the cell in the Voxel and time step + constant2_oxygen_ = + 1 + kDtSubstances * (volume / kVoxelVolume) * (oxygen_consumption_rate_); } /// Main behavior executed at each simulation step void StateControlCart::Run(Agent* agent) { - auto* sim = Simulation::GetActive(); - if(sim->GetScheduler()->GetSimulatedSteps() % kStepsPerCycle != 0){return;}// Run only every kDtCycle minutes, fmod does not work with the type returned by GetSimulatedTime() + if (sim->GetScheduler()->GetSimulatedSteps() % kStepsPerCycle != 0) { + return; + } // Run only every kDtCycle minutes, fmod does not work with the type + // returned by GetSimulatedTime() if (auto* cell = dynamic_cast(agent)) { - - switch (cell->GetState()) - { - case CartCellState::kAlive:{//the cell is growing to real_t its size before mitosis - - if (sim->GetRandom()->Uniform(1.0) < kDtCycle/std::max(cell->GetCurrentLiveTime(), 1e-10)) { // Probability of death= 1/CurrentLiveTime, avoiding division by 0 - //the cell Dies + switch (cell->GetState()) { + case CartCellState::kAlive: { // the cell is growing to real_t its size + // before mitosis + + if (sim->GetRandom()->Uniform(1.0) < + kDtCycle / + std::max(cell->GetCurrentLiveTime(), + 1e-10)) { // Probability of death= 1/CurrentLiveTime, + // avoiding division by 0 + // the cell Dies cell->SetState(CartCellState::kApoptotic); cell->SetTimerState(0); // Reset timer_state, it should be 0 anyway // Set target volume to 0 (the cell will shrink) - cell->SetTargetCytoplasmSolid(0.0); - cell->SetTargetNucleusSolid(0.0); - cell->SetTargetFractionFluid(0.0); + cell->SetTargetCytoplasmSolid(0.0); + cell->SetTargetNucleusSolid(0.0); + cell->SetTargetFractionFluid(0.0); cell->SetTargetRelationCytoplasmNucleus(0.0); - //Reduce oxygen consumption - cell->SetOxygenConsumptionRate(cell->GetOxygenConsumptionRate()*kReductionConsumptionDeadCells); - cell->ComputeConstantsConsumptionSecretion(); // Update constants for all Consumption of oxygen - if (cell->IsAttachedToTumorCell()) {// Detach from tumor cell if it was attached + // Reduce oxygen consumption + cell->SetOxygenConsumptionRate(cell->GetOxygenConsumptionRate() * + kReductionConsumptionDeadCells); + cell->ComputeConstantsConsumptionSecretion(); // Update constants for + // all Consumption of + // oxygen + if (cell->IsAttachedToTumorCell()) { // Detach from tumor cell if it + // was attached cell->GetAttachedCell()->SetAttachedToCart(false); cell->SetAttachedCell(nullptr); cell->SetAttachedToTumorCell(false); } - } else{ + } else { // decrease current life time - cell->SetCurrentLiveTime((cell->GetCurrentLiveTime() - (kDtCycle*kDtCycle))); + cell->SetCurrentLiveTime( + (cell->GetCurrentLiveTime() - (kDtCycle * kDtCycle))); } break; } - case CartCellState::kApoptotic:{ - cell->SetTimerState(cell->GetTimerState() + kDtCycle); - - cell->ChangeVolumeExponentialRelaxationEquation(kVolumeRelaxarionRateCytoplasmApoptotic, - kVolumeRelaxarionRateNucleusApoptotic, - kVolumeRelaxarionRateFluidApoptotic); - - if (kTimeApoptosis < cell->GetTimerState()) { // If the timer_state exceeds the time to transition (this is a fixed duration transition) - //remove the cell from the simulation + case CartCellState::kApoptotic: { + cell->SetTimerState(cell->GetTimerState() + kDtCycle); + + cell->ChangeVolumeExponentialRelaxationEquation( + kVolumeRelaxarionRateCytoplasmApoptotic, + kVolumeRelaxarionRateNucleusApoptotic, + kVolumeRelaxarionRateFluidApoptotic); + + if (kTimeApoptosis < + cell->GetTimerState()) { // If the timer_state exceeds the time to + // transition (this is a fixed duration + // transition) + // remove the cell from the simulation auto* ctxt = sim->GetExecutionContext(); ctxt->RemoveAgent(agent->GetUid()); } break; } - default:{ + default: { Log::Error("StateControlCart::Run", "Unknown CartCellState"); break; } diff --git a/src/cart_cell.h b/src/cart_cell.h index 8424c74..cf8f908 100644 --- a/src/cart_cell.h +++ b/src/cart_cell.h @@ -1,5 +1,6 @@ /* - * Copyright 2025 compiler-research.org, Salvador de la Torre Gonzalez, Luciana Melina Luque + * Copyright 2025 compiler-research.org, Salvador de la Torre Gonzalez, Luciana + * Melina Luque * * Licensed under the Apache License, Version 2.0 (the "License"); * you may not use this file except in compliance with the License. @@ -22,69 +23,89 @@ #define CART_CELL_H_ #include "biodynamo.h" -#include "core/util/log.h" -#include "core/util/root.h" #include "tumor_cell.h" namespace bdm { /// Enumeration defining the possible states of a CAR-T cell -/// +/// /// This enum class represents the different states that a CAR-T cell can be in /// during its lifecycle in the simulation. enum class CartCellState : int { - kAlive=0,///< Living cell state - the cell is alive and functioning normally + kAlive = + 0, ///< Living cell state - the cell is alive and functioning normally - kApoptotic=1///< Apoptotic phase - the cell is undergoing programmed cell death characterized by cell shrinkage and controlled death + kApoptotic = + 1 ///< Apoptotic phase - the cell is undergoing programmed cell death + ///< characterized by cell shrinkage and controlled death }; /// CAR-T cell class implementation -/// -/// This class represents a CAR-T (Chimeric Antigen Receptor T-cell) in the simulation. -/// It inherits from the base Cell class and includes specific behaviors and properties -/// related to CAR-T cell biology, including states, volume dynamics, and interactions -/// with tumor cells. +/// +/// This class represents a CAR-T (Chimeric Antigen Receptor T-cell) in the +/// simulation. It inherits from the base Cell class and includes specific +/// behaviors and properties related to CAR-T cell biology, including states, +/// volume dynamics, and interactions with tumor cells. class CartCell : public Cell { BDM_AGENT_HEADER(CartCell, Cell, 1); - public: + public: CartCell() {} explicit CartCell(const Real3& position); virtual ~CartCell() {} - ///Getters and Setters + /// Getters and Setters void SetState(CartCellState state) { state_ = state; } CartCellState GetState() const { return state_; } void SetTimerState(int timer_state) { timer_state_ = timer_state; } int GetTimerState() const { return timer_state_; } - void SetFluidFraction(real_t fluid_fraction) { fluid_fraction_ = fluid_fraction; } + void SetFluidFraction(real_t fluid_fraction) { + fluid_fraction_ = fluid_fraction; + } real_t GetFluidFraction() const { return fluid_fraction_; } - void SetNuclearVolume(real_t nuclear_volume) { nuclear_volume_ = nuclear_volume; } + void SetNuclearVolume(real_t nuclear_volume) { + nuclear_volume_ = nuclear_volume; + } real_t GetNuclearVolume() const { return nuclear_volume_; } - void SetTargetCytoplasmSolid(real_t target_cytoplasm_solid) { target_cytoplasm_solid_ = target_cytoplasm_solid; } + void SetTargetCytoplasmSolid(real_t target_cytoplasm_solid) { + target_cytoplasm_solid_ = target_cytoplasm_solid; + } real_t GetTargetCytoplasmSolid() const { return target_cytoplasm_solid_; } - void SetTargetNucleusSolid(real_t target_nucleus_solid) { target_nucleus_solid_ = target_nucleus_solid; } - real_t GetTargetNucleusSolid() const { return target_nucleus_solid_; } - - void SetTargetFractionFluid(real_t target_fraction_fluid) { target_fraction_fluid_ = target_fraction_fluid; } - real_t GetTargetFractionFluid() const { return target_fraction_fluid_; } - - void SetTargetRelationCytoplasmNucleus(real_t target_relation_cytoplasm_nucleus) { target_relation_cytoplasm_nucleus_ = target_relation_cytoplasm_nucleus; } - real_t GetTargetRelationCytoplasmNucleus() const { return target_relation_cytoplasm_nucleus_; } - - void SetAttachedToTumorCell(bool attached) { attached_to_tumor_cell_ = attached; } + void SetTargetNucleusSolid(real_t target_nucleus_solid) { + target_nucleus_solid_ = target_nucleus_solid; + } + real_t GetTargetNucleusSolid() const { return target_nucleus_solid_; } + + void SetTargetFractionFluid(real_t target_fraction_fluid) { + target_fraction_fluid_ = target_fraction_fluid; + } + real_t GetTargetFractionFluid() const { return target_fraction_fluid_; } + + void SetTargetRelationCytoplasmNucleus( + real_t target_relation_cytoplasm_nucleus) { + target_relation_cytoplasm_nucleus_ = target_relation_cytoplasm_nucleus; + } + real_t GetTargetRelationCytoplasmNucleus() const { + return target_relation_cytoplasm_nucleus_; + } + + void SetAttachedToTumorCell(bool attached) { + attached_to_tumor_cell_ = attached; + } bool IsAttachedToTumorCell() const { return attached_to_tumor_cell_; } Real3 GetOlderVelocity() const { return older_velocity_; } void SetOlderVelocity(const Real3& velocity) { older_velocity_ = velocity; } real_t GetOxygenConsumptionRate() const { return oxygen_consumption_rate_; } - void SetOxygenConsumptionRate(real_t rate) { oxygen_consumption_rate_ = rate; } + void SetOxygenConsumptionRate(real_t rate) { + oxygen_consumption_rate_ = rate; + } real_t GetCurrentLiveTime() const { return current_live_time_; } void SetCurrentLiveTime(real_t time) { current_live_time_ = time; } @@ -100,24 +121,30 @@ class CartCell : public Cell { /// Returns the diffusion grid for oxygen DiffusionGrid* GetOxygenDiffusionGrid() const { return oxygen_dgrid_; } /// Returns the diffusion grid for immunostimulatory factors - DiffusionGrid* GetImmunostimulatoryFactorDiffusionGrid() const { return immunostimulatory_factor_dgrid_; } - + DiffusionGrid* GetImmunostimulatoryFactorDiffusionGrid() const { + return immunostimulatory_factor_dgrid_; + } + /// Change volume using exponential relaxation equation - /// - /// This method explicitly solves the system of exponential relaxation differential - /// equations using a discrete update step. It is used to grow or shrink the volume - /// (and proportions) smoothly toward a desired target volume over time. The relaxation - /// rate controls the speed of convergence and dt=1 (the time_step). - /// - /// @param relaxation_rate_cytoplasm Relaxation rate for cytoplasm volume changes + /// + /// This method explicitly solves the system of exponential relaxation + /// differential equations using a discrete update step. It is used to grow or + /// shrink the volume (and proportions) smoothly toward a desired target + /// volume over time. The relaxation rate controls the speed of convergence + /// and dt=1 (the time_step). + /// + /// @param relaxation_rate_cytoplasm Relaxation rate for cytoplasm volume + /// changes /// @param relaxation_rate_nucleus Relaxation rate for nucleus volume changes /// @param relaxation_rate_fluid Relaxation rate for fluid volume changes - void ChangeVolumeExponentialRelaxationEquation(real_t relaxation_rate_cytoplasm, real_t relaxation_rate_nucleus, real_t relaxation_rate_fluid); + void ChangeVolumeExponentialRelaxationEquation( + real_t relaxation_rate_cytoplasm, real_t relaxation_rate_nucleus, + real_t relaxation_rate_fluid); /// Calculate displacement of the cell - /// + /// /// Computes the displacement of the cell based on interaction forces. - /// + /// /// @param force Pointer to the interaction force object /// @param squared_radius The squared radius of the cell /// @param dt The time step for the simulation @@ -126,82 +153,83 @@ class CartCell : public Cell { real_t squared_radius, real_t dt) override; /// Consume or secrete substances - /// + /// /// Computes new oxygen or immunostimulatory factor concentration after /// consumption or secretion by the cell. - /// - /// @param substance_id The ID of the substance (oxygen or immunostimulatory factor) + /// + /// @param substance_id The ID of the substance (oxygen or immunostimulatory + /// factor) /// @param old_concentration The previous concentration of the substance /// @return The new concentration after consumption/secretion real_t ConsumeSecreteSubstance(int substance_id, real_t old_concentration); /// Compute constants for consumption and secretion - /// + /// /// Updates constants after the cell's change of volume or quantities. - /// These constants are used in the consumption/secretion differential equations. + /// These constants are used in the consumption/secretion differential + /// equations. void ComputeConstantsConsumptionSecretion(); private: /// Current state of the CAR-T cell CartCellState state_; - + /// Timer to track time in the current state (in minutes) /// Used for apoptotic state timing int timer_state_; - + /// Pointer to the oxygen diffusion grid DiffusionGrid* oxygen_dgrid_; - + /// Pointer to the immunostimulatory factor diffusion grid DiffusionGrid* immunostimulatory_factor_dgrid_; - + /// Flag indicating if the cell is attached to a tumor cell bool attached_to_tumor_cell_; - + /// Current time until apoptosis real_t current_live_time_; - + /// Fluid fraction of the cell volume real_t fluid_fraction_; - + /// Volume of the nucleus real_t nuclear_volume_; - + /// Target cytoplasm solid volume for exponential relaxation /// Used during volume changes following exponential relaxation equation real_t target_cytoplasm_solid_; - + /// Target nucleus solid volume for exponential relaxation real_t target_nucleus_solid_; - + /// Target fluid fraction for exponential relaxation real_t target_fraction_fluid_; - + /// Target relation between cytoplasm and nucleus volumes real_t target_relation_cytoplasm_nucleus_; - + /// Velocity of the cell in the previous time step Real3 older_velocity_; - + /// Rate of oxygen consumption by the cell real_t oxygen_consumption_rate_; - + /// Rate of immunostimulatory factor secretion by the cell real_t immunostimulatory_factor_secretion_rate_; - + /// Constant 1 for oxygen consumption/secretion differential equation solution real_t constant1_oxygen_; - + /// Constant 2 for oxygen consumption/secretion differential equation solution real_t constant2_oxygen_; - + /// Pointer to the attached tumor cell TumorCell* attached_cell_; - }; /// Behavior class for controlling CAR-T cell state transitions -/// +/// /// This behavior handles the state control logic for CAR-T cells, managing /// transitions between different cell states: alive and apoptotic phases. /// It inherits from the base Behavior class and implements the Run method to @@ -210,7 +238,7 @@ struct StateControlCart : public Behavior { BDM_BEHAVIOR_HEADER(StateControlCart, Behavior, 1); StateControlCart() { AlwaysCopyToNew(); } - + virtual ~StateControlCart() {} /// Execute the state control behavior diff --git a/src/cart_tumor.cc b/src/cart_tumor.cc index 012cf38..4ab6900 100644 --- a/src/cart_tumor.cc +++ b/src/cart_tumor.cc @@ -1,5 +1,6 @@ /* - * Copyright 2025 compiler-research.org, Salvador de la Torre Gonzalez, Luciana Melina Luque + * Copyright 2025 compiler-research.org, Salvador de la Torre Gonzalez, Luciana + * Melina Luque * * Licensed under the Apache License, Version 2.0 (the "License"); * you may not use this file except in compliance with the License. @@ -18,13 +19,13 @@ * for the compiler-research.org organization. */ #include "cart_tumor.h" -#include "tumor_cell.h" #include "cart_cell.h" -#include "hyperparams.h" -#include "diffusion_thomas_algorithm.h" -#include "forces_tumor_cart.h" #include "core/environment/uniform_grid_environment.h" #include "core/operation/mechanical_forces_op.h" +#include "diffusion_thomas_algorithm.h" +#include "forces_tumor_cart.h" +#include "hyperparams.h" +#include "tumor_cell.h" #include "utils_aux.h" namespace bdm { @@ -32,75 +33,86 @@ namespace bdm { int Simulate(int argc, const char** argv) { // Set simulation bounds auto set_param = [](Param* param) { - param->random_seed = kSeed; // Set a fixed random seed for reproducibility - param->bound_space = Param::BoundSpaceMode::kTorus;// Periodic boundary - param->min_bound = -kBoundedSpaceLength/2; - param->max_bound = kBoundedSpaceLength/2; // Cube of 1000x1000x1000 centered at origin + param->random_seed = kSeed; // Set a fixed random seed for reproducibility + param->bound_space = Param::BoundSpaceMode::kTorus; // Periodic boundary + param->min_bound = -kBoundedSpaceLength / 2; + param->max_bound = + kBoundedSpaceLength / 2; // Cube of 1000x1000x1000 centered at origin param->simulation_time_step = kDt; }; - + Simulation simulation(argc, argv, set_param); auto* ctxt = simulation.GetExecutionContext(); - //Change Forces + // Change Forces auto* scheduler = simulation.GetScheduler(); auto* op = scheduler->GetOps("mechanical forces")[0]; - op->GetImplementation()->SetInteractionForce(new InteractionVelocity()); + op->GetImplementation()->SetInteractionForce( + new InteractionVelocity()); - auto* env = dynamic_cast(Simulation::GetActive()->GetEnvironment()); + auto* env = dynamic_cast( + Simulation::GetActive()->GetEnvironment()); // Fix the box length for the uniform grid environment - env->SetBoxLength(kLengthBoxMechanics); + env->SetBoxLength(kLengthBoxMechanics); // Define Substances auto* rm = Simulation::GetActive()->GetResourceManager(); // Oxygen - // substance_id, name, diffusion_coefficient, decay_constant, resolution, time_step + // substance_id, name, diffusion_coefficient, decay_constant, resolution, + // time_step auto* oxygen_grid = new DiffusionThomasAlgorithm( kOxygen, "oxygen", - kDiffusionCoefficientOxygen,// 100000 micrometers^2/minute - kDecayConstantOxygen, // 0.1 minutes^-1 - kResolutionGridSubstances, - kDtSubstances, - true); // true indicates Dirichlet border conditions + kDiffusionCoefficientOxygen, // 100000 micrometers^2/minute + kDecayConstantOxygen, // 0.1 minutes^-1 + kResolutionGridSubstances, kDtSubstances, + true); // true indicates Dirichlet border conditions rm->AddContinuum(oxygen_grid); // Immunostimulatory Factor // substance_id, name, diffusion_coefficient, decay_constant, resolution auto* immunostimulatory_factor_grid = new DiffusionThomasAlgorithm( kImmunostimulatoryFactor, "immunostimulatory_factor", - kDiffusionCoefficientImmunostimulatoryFactor, // 1000 micrometers^2/minute - kDecayConstantImmunostimulatoryFactor, // 0.016 minutes^-1 - kResolutionGridSubstances, - kDtSubstances, - false); // false indicates Neumann border conditions + kDiffusionCoefficientImmunostimulatoryFactor, // 1000 + // micrometers^2/minute + kDecayConstantImmunostimulatoryFactor, // 0.016 minutes^-1 + kResolutionGridSubstances, kDtSubstances, + false); // false indicates Neumann border conditions rm->AddContinuum(immunostimulatory_factor_grid); - // Boundary Conditions Dirichlet: simulating absorption or total loss at the boundaries of the space. - //Oxygen comming from the borders (capillary vessels) + // Boundary Conditions Dirichlet: simulating absorption or total loss at the + // boundaries of the space. + // Oxygen comming from the borders (capillary vessels) ModelInitializer::AddBoundaryConditions( - kOxygen, BoundaryConditionType::kDirichlet, - std::make_unique(kOxygenReferenceLevel));// kOxygenReferenceLevel mmHg is the physiological level of oxygen in tissues, o2 saturation is 100% at this level - - //This is useless now but should be added this way in a future version of BioDynaMo + kOxygen, BoundaryConditionType::kDirichlet, + std::make_unique( + kOxygenReferenceLevel)); // kOxygenReferenceLevel mmHg is the + // physiological level of oxygen in tissues, + // o2 saturation is 100% at this level + + // This is useless now but should be added this way in a future version of + // BioDynaMo ModelInitializer::AddBoundaryConditions( kImmunostimulatoryFactor, BoundaryConditionType::kNeumann, nullptr); - //Initialize oxygen voxels - ModelInitializer::InitializeSubstance(kOxygen, [](real_t x, real_t y, real_t z) { - return kInitialOxygenLevel; // Set all voxels to kInitialOxygenLevel mmHg + // Initialize oxygen voxels + ModelInitializer::InitializeSubstance(kOxygen, [](real_t x, real_t y, + real_t z) { + return kInitialOxygenLevel; // Set all voxels to kInitialOxygenLevel mmHg }); - // One spherical tumor of radius kInitialRadiusTumor in the center of the simulation space - std::vector positions=CreateSphereOfTumorCells(kInitialRadiusTumor);//positions of the cells + // One spherical tumor of radius kInitialRadiusTumor in the center of the + // simulation space + std::vector positions = + CreateSphereOfTumorCells(kInitialRadiusTumor); // positions of the cells for (const auto& pos : positions) { TumorCell* tumor_cell = new TumorCell(pos); tumor_cell->AddBehavior(new StateControlGrowProliferate()); ctxt->AddAgent(tumor_cell); } - //OutputSummary operation + // OutputSummary operation auto* summary_op = new bdm::Operation("OutputSummary"); // Set the interval for outputting CSV files summary_op->frequency_ = kOutputCsvInterval; @@ -108,8 +120,8 @@ int Simulate(int argc, const char** argv) { scheduler->ScheduleOp(summary_op); // Run simulation - //simulate kTotalMinutesToSimulate minutes including the last minute - scheduler->Simulate(1+kTotalMinutesToSimulate/kDt); + // simulate kTotalMinutesToSimulate minutes including the last minute + scheduler->Simulate(1 + kTotalMinutesToSimulate / kDt); std::cout << "Simulation completed successfully!" << std::endl; return 0; } diff --git a/src/cart_tumor.h b/src/cart_tumor.h index a214602..ac6d7a4 100644 --- a/src/cart_tumor.h +++ b/src/cart_tumor.h @@ -1,5 +1,6 @@ /* - * Copyright 2025 compiler-research.org, Salvador de la Torre Gonzalez, Luciana Melina Luque + * Copyright 2025 compiler-research.org, Salvador de la Torre Gonzalez, Luciana + * Melina Luque * * Licensed under the Apache License, Version 2.0 (the "License"); * you may not use this file except in compliance with the License. diff --git a/src/diffusion_thomas_algorithm.cc b/src/diffusion_thomas_algorithm.cc index 6c6962c..57373ea 100644 --- a/src/diffusion_thomas_algorithm.cc +++ b/src/diffusion_thomas_algorithm.cc @@ -1,5 +1,6 @@ /* - * Copyright 2025 compiler-research.org, Salvador de la Torre Gonzalez, Luciana Melina Luque + * Copyright 2025 compiler-research.org, Salvador de la Torre Gonzalez, Luciana + * Melina Luque * * Licensed under the Apache License, Version 2.0 (the "License"); * you may not use this file except in compliance with the License. @@ -18,23 +19,24 @@ * for the compiler-research.org organization. */ #include "diffusion_thomas_algorithm.h" +#include "cart_cell.h" #include "core/resource_manager.h" #include "core/simulation.h" #include "hyperparams.h" #include "tumor_cell.h" -#include "cart_cell.h" namespace bdm { - -DiffusionThomasAlgorithm::DiffusionThomasAlgorithm(int substance_id, std::string substance_name, real_t dc, real_t mu,int resolution, real_t dt, bool dirichlet_border)//time step - : DiffusionGrid(substance_id, std::move(substance_name), dc, mu, resolution) { - +DiffusionThomasAlgorithm::DiffusionThomasAlgorithm( + int substance_id, std::string substance_name, real_t dc, real_t mu, + int resolution, real_t dt, bool dirichlet_border) // time step + : DiffusionGrid(substance_id, std::move(substance_name), dc, mu, + resolution) { SetTimeStep(dt); - //num of voxels in each direction + // num of voxels in each direction resolution_ = GetResolution(); // Voxel side length in micrometers - d_space_ = kBoundedSpaceLength / resolution_; + d_space_ = kBoundedSpaceLength / resolution_; dirichlet_border_ = dirichlet_border; @@ -42,14 +44,14 @@ DiffusionThomasAlgorithm::DiffusionThomasAlgorithm(int substance_id, std::string jump_j_ = resolution_; jump_k_ = resolution_ * resolution_; - //all diffusion coefficients are the same for all directions (isotropic) + // all diffusion coefficients are the same for all directions (isotropic) constant1_ = dc; - constant1_ *=dt/(d_space_ * d_space_); + constant1_ *= dt / (d_space_ * d_space_); constant1a_ = -constant1_; - //decay constant + // decay constant constant2_ = mu; // Divide by 3 for the three directions - constant2_ *= dt / 3.0; + constant2_ *= dt / 3.0; constant3_ = 1.0 + 2 * constant1_ + constant2_; constant3a_ = 1.0 + constant1_ + constant2_; @@ -67,13 +69,13 @@ DiffusionThomasAlgorithm::DiffusionThomasAlgorithm(int substance_id, std::string thomas_c_z_ = std::vector(resolution_, constant1a_); thomas_denom_z_ = std::vector(resolution_, constant3_); InitializeThomasAlgorithmVectors(thomas_denom_z_, thomas_c_z_); - } -void DiffusionThomasAlgorithm::InitializeThomasAlgorithmVectors(std::vector& thomas_denom, std::vector& thomas_c) { +void DiffusionThomasAlgorithm::InitializeThomasAlgorithmVectors( + std::vector& thomas_denom, std::vector& thomas_c) { thomas_denom[0] = constant3a_; thomas_denom[resolution_ - 1] = constant3a_; - if(resolution_ == 1) { + if (resolution_ == 1) { thomas_denom[0] = 1.0 + constant2_; } thomas_c[0] /= thomas_denom[0]; @@ -85,75 +87,89 @@ void DiffusionThomasAlgorithm::InitializeThomasAlgorithmVectors(std::vectorEvaluate(real_x, real_y, real_z, simulated_time)); - //For z=resolution_-1 + SetConcentration(x, y, z, + GetBoundaryCondition()->Evaluate( + real_x, real_y, real_z, simulated_time)); + // For z=resolution_-1 z = resolution_ - 1; real_z = origin + z * d_space_; - SetConcentration(x, y, z, GetBoundaryCondition()->Evaluate(real_x, real_y, real_z, simulated_time)); + SetConcentration(x, y, z, + GetBoundaryCondition()->Evaluate( + real_x, real_y, real_z, simulated_time)); } } - //For y=0 and y=resolution_-1 - #pragma omp for collapse(2) +// For y=0 and y=resolution_-1 +#pragma omp for collapse(2) for (size_t z = 0; z < resolution_; z++) { for (size_t x = 0; x < resolution_; x++) { real_t real_x = origin + x * d_space_; real_t real_z = origin + z * d_space_; - //For y=0 - size_t y=0; + // For y=0 + size_t y = 0; real_t real_y = origin + y * d_space_; - SetConcentration(x, y, z, GetBoundaryCondition()->Evaluate(real_x, real_y, real_z, simulated_time)); - //For y=resolution_-1 + SetConcentration(x, y, z, + GetBoundaryCondition()->Evaluate( + real_x, real_y, real_z, simulated_time)); + // For y=resolution_-1 y = resolution_ - 1; real_y = origin + y * d_space_; - SetConcentration(x, y, z, GetBoundaryCondition()->Evaluate(real_x, real_y, real_z, simulated_time)); + SetConcentration(x, y, z, + GetBoundaryCondition()->Evaluate( + real_x, real_y, real_z, simulated_time)); } } - //For x=0 and x=resolution_-1 - #pragma omp for collapse(2) +// For x=0 and x=resolution_-1 +#pragma omp for collapse(2) for (size_t z = 0; z < resolution_; z++) { for (size_t y = 0; y < resolution_; y++) { real_t real_y = origin + y * d_space_; real_t real_z = origin + z * d_space_; - //For x=0 - size_t x=0; + // For x=0 + size_t x = 0; real_t real_x = origin + x * d_space_; - SetConcentration(x, y, z, GetBoundaryCondition()->Evaluate(real_x, real_y, real_z, simulated_time)); - //For x=resolution_-1 + SetConcentration(x, y, z, + GetBoundaryCondition()->Evaluate( + real_x, real_y, real_z, simulated_time)); + // For x=resolution_-1 x = resolution_ - 1; real_x = origin + x * d_space_; - SetConcentration(x, y, z, GetBoundaryCondition()->Evaluate(real_x, real_y, real_z, simulated_time)); + SetConcentration(x, y, z, + GetBoundaryCondition()->Evaluate( + real_x, real_y, real_z, simulated_time)); } } } - - } // Sets the concentration at a specific voxel -void DiffusionThomasAlgorithm::SetConcentration(size_t idx, real_t amount){ - ChangeConcentrationBy(idx, amount - GetAllConcentrations()[idx], InteractionMode::kAdditive, false); +void DiffusionThomasAlgorithm::SetConcentration(size_t idx, real_t amount) { + ChangeConcentrationBy(idx, amount - GetAllConcentrations()[idx], + InteractionMode::kAdditive, false); }; // Flattens the 3D coordinates (x, y, z) into a 1D index -size_t DiffusionThomasAlgorithm::GetBoxIndex(size_t x, size_t y, size_t z) const { +size_t DiffusionThomasAlgorithm::GetBoxIndex(size_t x, size_t y, + size_t z) const { return z * resolution_ * resolution_ + y * resolution_ + x; } -void DiffusionThomasAlgorithm::Step(real_t dt) {//instead of overwriting Step, in future versions of BioDynaMo, we should overwrite CheckParameters +void DiffusionThomasAlgorithm::Step( + real_t dt) { // instead of overwriting Step, in future versions of + // BioDynaMo, we should overwrite CheckParameters // check if diffusion coefficient and decay constant are 0 // i.e. if we don't need to calculate diffusion update if (IsFixedSubstance()) { @@ -161,119 +177,139 @@ void DiffusionThomasAlgorithm::Step(real_t dt) {//instead of overwriting Step, i } DiffuseChemical(dt); - //This should be done considering different border cases instead of using the dirichlet_border_ flag. However, there is a bug in BioDynaMo that makes bc_type be "Neumann" no matter what. In future versions of BioDynaMo this should be fixed - + // This should be done considering different border cases instead of using the + // dirichlet_border_ flag. However, there is a bug in BioDynaMo that makes + // bc_type be "Neumann" no matter what. In future versions of BioDynaMo this + // should be fixed } -//This method solves the Diffusion Diferential equation using the Alternating Direction Implicit approach +// This method solves the Diffusion Diferential equation using the Alternating +// Direction Implicit approach void DiffusionThomasAlgorithm::DiffuseChemical(real_t dt) { - - // Change for the future: to add double buffer for paralelization - if (dirichlet_border_) { ApplyDirichletBoundaryConditions();} + if (dirichlet_border_) { + ApplyDirichletBoundaryConditions(); + } - //X-direction - #pragma omp parallel for collapse(2) - for( unsigned int k=0; k < resolution_; k++) { - for( unsigned int j=0; j < resolution_; j++) { +// X-direction +#pragma omp parallel for collapse(2) + for (unsigned int k = 0; k < resolution_; k++) { + for (unsigned int j = 0; j < resolution_; j++) { int ind = GetBoxIndex(0, j, k); - SetConcentration(ind, GetAllConcentrations()[ind]/thomas_denom_x_[0]); + SetConcentration(ind, GetAllConcentrations()[ind] / thomas_denom_x_[0]); // Forward elimination step for x direction - for (unsigned int i = 1; i < resolution_ ; i++) { + for (unsigned int i = 1; i < resolution_; i++) { ind = GetBoxIndex(i, j, k); auto* all_concentrations = GetAllConcentrations(); - SetConcentration(ind, (all_concentrations[ind] + constant1_ * all_concentrations[ind-jump_i_]) / thomas_denom_x_[i]); + SetConcentration(ind, (all_concentrations[ind] + + constant1_ * all_concentrations[ind - jump_i_]) / + thomas_denom_x_[i]); } // Back substitution step for x direction for (int i = resolution_ - 2; i >= 0; i--) { ind = GetBoxIndex(i, j, k); auto* all_concentrations = GetAllConcentrations(); - SetConcentration(ind, all_concentrations[ind] - thomas_c_x_[i] * all_concentrations[ind + jump_i_]); + SetConcentration( + ind, all_concentrations[ind] - + thomas_c_x_[i] * all_concentrations[ind + jump_i_]); } } } - if (dirichlet_border_) { ApplyDirichletBoundaryConditions();} + if (dirichlet_border_) { + ApplyDirichletBoundaryConditions(); + } - //Y-direction - #pragma omp parallel for collapse(2) - for( unsigned int k=0; k < resolution_; k++) { - for( unsigned int i=0; i < resolution_; i++) { +// Y-direction +#pragma omp parallel for collapse(2) + for (unsigned int k = 0; k < resolution_; k++) { + for (unsigned int i = 0; i < resolution_; i++) { int ind = GetBoxIndex(i, 0, k); - SetConcentration(ind, GetAllConcentrations()[ind]/thomas_denom_y_[0]); + SetConcentration(ind, GetAllConcentrations()[ind] / thomas_denom_y_[0]); // Forward elimination step for y direction - for (unsigned int j = 1; j < resolution_ ; j++) { + for (unsigned int j = 1; j < resolution_; j++) { ind = GetBoxIndex(i, j, k); auto* all_concentrations = GetAllConcentrations(); - SetConcentration(ind, (all_concentrations[ind] + constant1_ * all_concentrations[ind-jump_j_]) / thomas_denom_y_[j]); + SetConcentration(ind, (all_concentrations[ind] + + constant1_ * all_concentrations[ind - jump_j_]) / + thomas_denom_y_[j]); } // Back substitution step for y direction for (int j = resolution_ - 2; j >= 0; j--) { ind = GetBoxIndex(i, j, k); auto* all_concentrations = GetAllConcentrations(); - SetConcentration(ind, all_concentrations[ind] - thomas_c_y_[j] * all_concentrations[ind + jump_j_]); + SetConcentration( + ind, all_concentrations[ind] - + thomas_c_y_[j] * all_concentrations[ind + jump_j_]); } } } - if (dirichlet_border_) { ApplyDirichletBoundaryConditions();} + if (dirichlet_border_) { + ApplyDirichletBoundaryConditions(); + } - //Z-direction - #pragma omp parallel for collapse(2) - for( unsigned int j=0; j < resolution_; j++) { - for( unsigned int i=0; i < resolution_; i++) { +// Z-direction +#pragma omp parallel for collapse(2) + for (unsigned int j = 0; j < resolution_; j++) { + for (unsigned int i = 0; i < resolution_; i++) { int ind = GetBoxIndex(i, j, 0); - SetConcentration(ind, GetAllConcentrations()[ind]/thomas_denom_z_[0]); + SetConcentration(ind, GetAllConcentrations()[ind] / thomas_denom_z_[0]); // Forward elimination step for z direction - for (unsigned int k = 1; k < resolution_ ; k++) { + for (unsigned int k = 1; k < resolution_; k++) { ind = GetBoxIndex(i, j, k); auto* all_concentrations = GetAllConcentrations(); - SetConcentration(ind, (all_concentrations[ind] + constant1_ * all_concentrations[ind-jump_k_]) / thomas_denom_z_[k]); + SetConcentration(ind, (all_concentrations[ind] + + constant1_ * all_concentrations[ind - jump_k_]) / + thomas_denom_z_[k]); } // Back substitution step for z direction for (int k = resolution_ - 2; k >= 0; k--) { ind = GetBoxIndex(i, j, k); auto* all_concentrations = GetAllConcentrations(); - SetConcentration(ind, all_concentrations[ind] - thomas_c_z_[k] * all_concentrations[ind + jump_k_]); + SetConcentration( + ind, all_concentrations[ind] - + thomas_c_z_[k] * all_concentrations[ind + jump_k_]); } } } - if (dirichlet_border_) { ApplyDirichletBoundaryConditions(); } + if (dirichlet_border_) { + ApplyDirichletBoundaryConditions(); + } - //Change of concentration levels because of agents + // Change of concentration levels because of agents ComputeConsumptionsSecretions(); return; - - } - void DiffusionThomasAlgorithm::ComputeConsumptionsSecretions() { - // This method is called to compute the consumptions and secretions of substances - // by the tumor cells. It iterates over all agents and applies the consumption - // and secretion behaviors defined in the TumorCell class. + // This method is called to compute the consumptions and secretions of + // substances by the tumor cells. It iterates over all agents and applies the + // consumption and secretion behaviors defined in the TumorCell class. auto* rm = bdm::Simulation::GetActive()->GetResourceManager(); real_t current_time = GetSimulatedTime(); - //in a future version of BioDynaMo this should be parallelized getting the agents inside each chemical voxel and trating each voxel independently. + // in a future version of BioDynaMo this should be parallelized getting the + // agents inside each chemical voxel and trating each voxel independently. rm->ForEachAgent([this, current_time](bdm::Agent* agent) { if (auto* cell = dynamic_cast(agent)) { // Handle TumorCell agents const auto& pos = cell->GetPosition(); real_t conc = this->GetValue(pos); - real_t new_conc = cell->ConsumeSecreteSubstance(GetContinuumId(),conc); - this->ChangeConcentrationBy(pos, new_conc - conc, InteractionMode::kAdditive, false); + real_t new_conc = cell->ConsumeSecreteSubstance(GetContinuumId(), conc); + this->ChangeConcentrationBy(pos, new_conc - conc, + InteractionMode::kAdditive, false); } else if (auto* cell = dynamic_cast(agent)) { // Handle CartCell agents const auto& pos = cell->GetPosition(); real_t conc = GetValue(pos); - real_t new_conc = cell->ConsumeSecreteSubstance(GetContinuumId(),conc); - ChangeConcentrationBy(pos, new_conc - conc, InteractionMode::kAdditive, false); + real_t new_conc = cell->ConsumeSecreteSubstance(GetContinuumId(), conc); + ChangeConcentrationBy(pos, new_conc - conc, InteractionMode::kAdditive, + false); } - }); return; diff --git a/src/diffusion_thomas_algorithm.h b/src/diffusion_thomas_algorithm.h index e8057e5..708b79b 100644 --- a/src/diffusion_thomas_algorithm.h +++ b/src/diffusion_thomas_algorithm.h @@ -1,5 +1,6 @@ /* - * Copyright 2025 compiler-research.org, Salvador de la Torre Gonzalez, Luciana Melina Luque + * Copyright 2025 compiler-research.org, Salvador de la Torre Gonzalez, Luciana + * Melina Luque * * Licensed under the Apache License, Version 2.0 (the "License"); * you may not use this file except in compliance with the License. @@ -27,28 +28,23 @@ namespace bdm { /// Continuum model for the 3D heat equation with exponential decay -/// +/// /// Implements the diffusion equation, solved implicitly: ∂t u = ∇D∇u - μu /// Uses the Thomas algorithm for solving tridiagonal systems efficiently. class DiffusionThomasAlgorithm : public DiffusionGrid { public: DiffusionThomasAlgorithm() = default; - - DiffusionThomasAlgorithm(int substance_id, - std::string substance_name, - real_t dc, - real_t mu, - int resolution, - real_t dt, - bool dirichlet_border); + + DiffusionThomasAlgorithm(int substance_id, std::string substance_name, + real_t dc, real_t mu, int resolution, real_t dt, + bool dirichlet_border); /// Concentration setters - void SetConcentration(real_t x, real_t y, real_t z, real_t amount){ + void SetConcentration(real_t x, real_t y, real_t z, real_t amount) { SetConcentration(GetBoxIndex(x, y, z), amount); }; - - void SetConcentration(size_t idx, real_t amount); + void SetConcentration(size_t idx, real_t amount); /// These methods are overridden but empty because they are not used. /// This should be fixed in future versions of BioDynaMo. @@ -58,132 +54,136 @@ class DiffusionThomasAlgorithm : public DiffusionGrid { void DiffuseWithPeriodic(real_t dt) override{}; void DiffuseWithDirichlet(real_t dt) override{}; - /// Perform chemical diffusion using Thomas algorithm - /// + /// /// Computes the diffusion of the substance using the Thomas algorithm /// for solving tridiagonal systems efficiently. - /// + /// /// @param dt Time step for the diffusion computation void DiffuseChemical(real_t dt); - + /// Execute one simulation step - /// + /// /// Main stepping function that performs one time step of the simulation, /// including diffusion and cellular consumption/secretion. - /// + /// /// @param dt Time step for the simulation void Step(real_t dt) override; /// Compute cellular consumption and secretion effects - /// - /// Handles secretion or consumption of substances following the differential equation: - /// - /// ∂ρ/∂t = ∇·(D ∇ρ) − λ · ρ + sum_{cells in voxel}((V_k / V_voxel) · [ S_k · ( ρ*_k − ρ ) − (S_k + U_k) · ρ ]) - /// + /// + /// Handles secretion or consumption of substances following the differential + /// equation: + /// + /// ∂ρ/∂t = ∇·(D ∇ρ) − λ · ρ + sum_{cells in voxel}((V_k / V_voxel) · [ S_k · + /// ( ρ*_k − ρ ) − (S_k + U_k) · ρ ]) + /// /// Where: /// - ρ = concentration of the substance in the microenvironment /// - S_k = secretion rate of cell k /// - U_k = uptake (consumption) rate of cell k /// - ρ*_k = saturation (target) density for secretion - /// - V_k = volume of cell k (approximated to default volume of new tumor cell) + /// - V_k = volume of cell k (approximated to default volume of new tumor + /// cell) /// - V_voxel = volume of the voxel containing the cell /// - dt = simulation time step - /// - /// In this class, we only model the secretion and consumption of the substance, - /// not its diffusion, which follows: - /// (ρ − σ)/dt = sum_{cells in voxel}((V_k / V_voxel) · [ S_k · ( ρ*_k − ρ ) − (S_k + U_k) · ρ ]) - /// - /// Where σ is the concentration at the previous time step (may include diffusion term). - /// The solution is: - /// ρⁿ⁺¹ = (ρⁿ + dt · (V_k / V_voxel) · S_k · ρ*_k) / [1 + dt · (V_k / V_voxel) · (S_k + U_k)] - /// + /// + /// In this class, we only model the secretion and consumption of the + /// substance, not its diffusion, which follows: (ρ − σ)/dt = sum_{cells in + /// voxel}((V_k / V_voxel) · [ S_k · ( ρ*_k − ρ ) − (S_k + U_k) · ρ ]) + /// + /// Where σ is the concentration at the previous time step (may include + /// diffusion term). The solution is: ρⁿ⁺¹ = (ρⁿ + dt · (V_k / V_voxel) · S_k + /// · ρ*_k) / [1 + dt · (V_k / V_voxel) · (S_k + U_k)] + /// /// Where: /// - ρⁿ = current concentration /// - ρⁿ⁺¹ = updated concentration after secretion/uptake - /// - /// This assumes secretion is toward a saturation level, and uptake is proportional to ρ. - /// - /// In a future version, consider using a Behavior associated to each agent but controlling the time in which it is applied so that it is executed always after the diffusion module + /// + /// This assumes secretion is toward a saturation level, and uptake is + /// proportional to ρ. + /// + /// In a future version, consider using a Behavior associated to each agent + /// but controlling the time in which it is applied so that it is executed + /// always after the diffusion module void ComputeConsumptionsSecretions(); private: /// Number of voxels in each spatial direction size_t resolution_; - + /// Voxel side length in micrometers real_t d_space_; /// Denominators for x-direction Thomas algorithm std::vector thomas_denom_x_; - + /// Coefficients for x-direction Thomas algorithm std::vector thomas_c_x_; - + /// Denominators for y-direction Thomas algorithm std::vector thomas_denom_y_; - + /// Coefficients for y-direction Thomas algorithm std::vector thomas_c_y_; - + /// Denominators for z-direction Thomas algorithm std::vector thomas_denom_z_; - + /// Coefficients for z-direction Thomas algorithm std::vector thomas_c_z_; - + /// Index jump for i-direction (x-axis) int jump_i_; - + /// Index jump for j-direction (y-axis) int jump_j_; - + /// Index jump for k-direction (z-axis) int jump_k_; - + /// First diffusion constant real_t constant1_; - + /// Alternative first diffusion constant real_t constant1a_; - + /// Second diffusion constant real_t constant2_; - + /// Third diffusion constant real_t constant3_; - + /// Alternative third diffusion constant real_t constant3a_; - + /// Flag indicating Dirichlet boundary conditions bool dirichlet_border_; /// Initialize Thomas algorithm coefficient vectors - /// + /// /// Sets up the precomputed coefficients for efficient Thomas algorithm /// execution in the specified direction. - /// + /// /// @param thomas_denom Reference to denominator vector to initialize /// @param thomas_c Reference to coefficient vector to initialize void InitializeThomasAlgorithmVectors(std::vector& thomas_denom, std::vector& thomas_c); - + /// Apply Dirichlet boundary conditions to the diffusion grid - /// + /// /// Sets the boundary values according to Dirichlet boundary conditions, /// maintaining constant values at the grid boundaries. void ApplyDirichletBoundaryConditions(); /// Convert 3D coordinates to linear index - /// + /// /// @param x X-coordinate in voxel space - /// @param y Y-coordinate in voxel space + /// @param y Y-coordinate in voxel space /// @param z Z-coordinate in voxel space /// @return Linear index in the flattened 3D array size_t GetBoxIndex(size_t x, size_t y, size_t z) const; - BDM_CLASS_DEF_OVERRIDE(DiffusionThomasAlgorithm, 1); }; diff --git a/src/forces_tumor_cart.cc b/src/forces_tumor_cart.cc index 9b335b5..e7c3e46 100644 --- a/src/forces_tumor_cart.cc +++ b/src/forces_tumor_cart.cc @@ -1,5 +1,6 @@ /* - * Copyright 2025 compiler-research.org, Salvador de la Torre Gonzalez, Luciana Melina Luque + * Copyright 2025 compiler-research.org, Salvador de la Torre Gonzalez, Luciana + * Melina Luque * * Licensed under the Apache License, Version 2.0 (the "License"); * you may not use this file except in compliance with the License. @@ -18,17 +19,15 @@ * for the compiler-research.org organization. */ - #include "forces_tumor_cart.h" #include "core/operation/mechanical_forces_op.h" #include "hyperparams.h" -#include "utils_aux.h" #include "tumor_cell.h" +#include "utils_aux.h" namespace bdm { Real4 InteractionVelocity::Calculate(const Agent* lhs, const Agent* rhs) const { - auto* a = dynamic_cast(lhs); auto* b = dynamic_cast(rhs); @@ -38,10 +37,16 @@ Real4 InteractionVelocity::Calculate(const Agent* lhs, const Agent* rhs) const { Real3 displacement = a->GetPosition() - b->GetPosition(); - //For periodic boundary conditions, we need to adjust the displacement - displacement[0] = displacement[0] - (kBoundedSpaceLength)*round(displacement[0]/(kBoundedSpaceLength)); - displacement[1] = displacement[1] - (kBoundedSpaceLength)*round(displacement[1]/(kBoundedSpaceLength)); - displacement[2] = displacement[2] - (kBoundedSpaceLength)*round(displacement[2]/(kBoundedSpaceLength)); + // For periodic boundary conditions, we need to adjust the displacement + displacement[0] = + displacement[0] - + (kBoundedSpaceLength)*round(displacement[0] / (kBoundedSpaceLength)); + displacement[1] = + displacement[1] - + (kBoundedSpaceLength)*round(displacement[1] / (kBoundedSpaceLength)); + displacement[2] = + displacement[2] - + (kBoundedSpaceLength)*round(displacement[2] / (kBoundedSpaceLength)); double dist_sq = displacement[0] * displacement[0] + displacement[1] * displacement[1] + @@ -52,71 +57,68 @@ Real4 InteractionVelocity::Calculate(const Agent* lhs, const Agent* rhs) const { double radius_b = b->GetDiameter() / 2.0; double R = radius_a + radius_b; // R=16.8254;//Debug - // std::cout << "Debug: R = " << R << ", distance = " << distance << std::endl;// Debug output + // std::cout << "Debug: R = " << R << ", distance = " << distance << + // std::endl;// Debug output double temp_r = 0.0; const TumorCell* a_tumor = dynamic_cast(a); const TumorCell* b_tumor = dynamic_cast(b); if (distance < R) { - // 1 - d/R - temp_r = 1.0 - distance / R; + temp_r = 1.0 - distance / R; // (1 - d/R)^2 temp_r *= temp_r; double repulsion; - // std::cout << "temp_r = " << temp_r<< std::endl;// Debug output - - - if (a_tumor && b_tumor) {// two tumor cells - repulsion = kRepulsionTumorTumor;//std::sqrt(kRepulsionTumorTumor * kRepulsionTumorTumor); - } else if (!a_tumor && !b_tumor) {// two CAR-T cells - repulsion = kRepulsionCartCart;//std::sqrt(kRepulsionCartCart*kRepulsionCartCart); - } else {// one tumor cell and one CAR-T - repulsion = std::sqrt(kRepulsionCartTumor * - kRepulsionTumorCart); + // std::cout << "temp_r = " << temp_r<< std::endl;// Debug output + + if (a_tumor && b_tumor) { // two tumor cells + repulsion = kRepulsionTumorTumor; // std::sqrt(kRepulsionTumorTumor * + // kRepulsionTumorTumor); + } else if (!a_tumor && !b_tumor) { // two CAR-T cells + repulsion = + kRepulsionCartCart; // std::sqrt(kRepulsionCartCart*kRepulsionCartCart); + } else { // one tumor cell and one CAR-T + repulsion = std::sqrt(kRepulsionCartTumor * kRepulsionTumorCart); } temp_r *= repulsion; } - // std::cout << "temp_r after repulsion = " << temp_r<< std::endl;// Debug output - + // std::cout << "temp_r after repulsion = " << temp_r<< std::endl;// Debug + // output // Adhesion double max_interaction_distance = kMaxRelativeAdhesionDistance * R; // max_interaction_distance=21.0318;//Debug - // std::cout << "max_interaction_distance = " << max_interaction_distance << std::endl;// Debug output - + // std::cout << "max_interaction_distance = " << max_interaction_distance << + // std::endl;// Debug output if (distance < max_interaction_distance) { // 1 - d/S - double temp_a = 1.0 - distance / max_interaction_distance; + double temp_a = 1.0 - distance / max_interaction_distance; // (1-d/S)^2 temp_a *= temp_a; // std::cout << "temp_a = " << temp_a << std::endl;// Debug output - double adhesion; - if (a_tumor && b_tumor) {// two tumor cells + if (a_tumor && b_tumor) { // two tumor cells adhesion = kAdhesionTumorTumor; - } else if (!a_tumor && !b_tumor) {// two CAR-T cells + } else if (!a_tumor && !b_tumor) { // two CAR-T cells adhesion = kAdhesionCartCart; - } else {// one tumor cell and one CAR-T - adhesion = std::sqrt(kAdhesionCartTumor * - kAdhesionTumorCart); + } else { // one tumor cell and one CAR-T + adhesion = std::sqrt(kAdhesionCartTumor * kAdhesionTumorCart); } // std::cout << "adhesion = " << adhesion << std::endl;// Debug output - temp_a *= adhesion; temp_r -= temp_a; - // std::cout << "temp_a after adhesion= " << temp_a << std::endl;// Debug output - + // std::cout << "temp_a after adhesion= " << temp_a << std::endl;// Debug + // output } if (std::abs(temp_r) < 1e-16) { @@ -124,35 +126,32 @@ Real4 InteractionVelocity::Calculate(const Agent* lhs, const Agent* rhs) const { } double force_magnitude = temp_r / distance; - - - //Debug Output volcities - // std::ofstream file("output/intercation_velocities.csv", std::ios::app); - // if (file.is_open()) { - - // double total_minutes = Simulation::GetActive()->GetScheduler()->GetSimulatedTime(); - // Real3 position = a->GetPosition(); - // // Write data to CSV file - // file << total_minutes << ",position" - // << position[0] << "," - // << position[1] << "," - // << position[2] << ",displacement" - // << displacement[0] << "," - // << displacement[1] << "," - // << displacement[2] << ",distance" - // << distance << ",force_magnitude" - // << force_magnitude << ",temp_r" - // << temp_r << "\n"; - // } - // End Debug Output - + // Debug Output volcities + // std::ofstream file("output/intercation_velocities.csv", std::ios::app); + // if (file.is_open()) { + + // double total_minutes = + // Simulation::GetActive()->GetScheduler()->GetSimulatedTime(); Real3 + // position = a->GetPosition(); + // // Write data to CSV file + // file << total_minutes << ",position" + // << position[0] << "," + // << position[1] << "," + // << position[2] << ",displacement" + // << displacement[0] << "," + // << displacement[1] << "," + // << displacement[2] << ",distance" + // << distance << ",force_magnitude" + // << force_magnitude << ",temp_r" + // << temp_r << "\n"; + // } + // End Debug Output // return{0.,0.,0.,0.};//debug - - return {2*force_magnitude * displacement[0], - 2*force_magnitude * displacement[1], - 2*force_magnitude * displacement[2], + return {2 * force_magnitude * displacement[0], + 2 * force_magnitude * displacement[1], + 2 * force_magnitude * displacement[2], 0.0}; // 4th component is unused } diff --git a/src/forces_tumor_cart.h b/src/forces_tumor_cart.h index 189293c..0486aef 100644 --- a/src/forces_tumor_cart.h +++ b/src/forces_tumor_cart.h @@ -1,5 +1,6 @@ /* - * Copyright 2025 compiler-research.org, Salvador de la Torre Gonzalez, Luciana Melina Luque + * Copyright 2025 compiler-research.org, Salvador de la Torre Gonzalez, Luciana + * Melina Luque * * Licensed under the Apache License, Version 2.0 (the "License"); * you may not use this file except in compliance with the License. @@ -21,33 +22,34 @@ #ifndef FORCES_TUMOR_CART_H_ #define FORCES_TUMOR_CART_H_ -#include "core/interaction_force.h" #include "biodynamo.h" - +#include "core/interaction_force.h" namespace bdm { /// Custom interaction force implementation for velocity-based cell interactions -/// -/// This class implements a specialized interaction force that takes into account -/// the velocity of cells when calculating forces between agents (tumor cells and CAR-T cells). -/// It extends the base InteractionForce class to provide custom force calculations -/// specific to the tumor-CAR-T cell interaction simulation. +/// +/// This class implements a specialized interaction force that takes into +/// account the velocity of cells when calculating forces between agents (tumor +/// cells and CAR-T cells). It extends the base InteractionForce class to +/// provide custom force calculations specific to the tumor-CAR-T cell +/// interaction simulation. class InteractionVelocity : public InteractionForce { public: InteractionVelocity() = default; - + ~InteractionVelocity() override = default; /// Calculate interaction force between two agents - /// + /// /// Computes the force vector between two agents (cells) based on their /// positions, properties, and velocities. This method is called by the /// mechanical forces operation during each simulation step. - /// + /// /// @param lhs Pointer to the first agent (left-hand side) /// @param rhs Pointer to the second agent (right-hand side) - /// @return Real4 vector containing the force components (fx, fy, fz, magnitude) + /// @return Real4 vector containing the force components (fx, fy, fz, + /// magnitude) Real4 Calculate(const Agent* lhs, const Agent* rhs) const override; InteractionForce* NewCopy() const override; diff --git a/src/hyperparams.h b/src/hyperparams.h index 3e62904..2b70a33 100644 --- a/src/hyperparams.h +++ b/src/hyperparams.h @@ -1,5 +1,6 @@ /* - * Copyright 2025 compiler-research.org, Salvador de la Torre Gonzalez, Luciana Melina Luque + * Copyright 2025 compiler-research.org, Salvador de la Torre Gonzalez, Luciana + * Melina Luque * * Licensed under the Apache License, Version 2.0 (the "License"); * you may not use this file except in compliance with the License. @@ -28,169 +29,189 @@ namespace bdm { -///This file contains hyperparameters used in the simulation. Change: In a future version it needs to be changed into a params file with no need to be recompiled +/// This file contains hyperparameters used in the simulation. Change: In a +/// future version it needs to be changed into a params file with no need to be +/// recompiled /// /// TumorCell Hyperparameters /// /// Rate of secretion of immunostimulatory factor of tumor cells per minute -constexpr real_t kRateSecretionImmunostimulatoryFactor= 10.0; +constexpr real_t kRateSecretionImmunostimulatoryFactor = 10.0; /// Saturation density of immunostimulatory factor for tumor cells -constexpr real_t kSaturationDensityImmunostimulatoryFactor = 1.0; +constexpr real_t kSaturationDensityImmunostimulatoryFactor = 1.0; /// Mean level of oncoprotein expression in tumor cells -constexpr real_t kOncoproteinMean = 1.0; +constexpr real_t kOncoproteinMean = 1.0; /// Standard deviation of oncoprotein expression in tumor cells -constexpr real_t kOncoproteinStandardDeviation = 0.25; +constexpr real_t kOncoproteinStandardDeviation = 0.25; /// Oxygen saturation level in tumor cells for proliferation -constexpr real_t kOxygenSaturationInProliferation = 38.0; +constexpr real_t kOxygenSaturationInProliferation = 38.0; /// Limit of oxygen level for tumor cell proliferation -constexpr real_t kOxygenLimitForProliferation = 10.0; +constexpr real_t kOxygenLimitForProliferation = 10.0; /// Limit of oxygen to start causing necrosis constexpr real_t kOxygenLimitForNecrosis = 5.0; /// Limit of oxygen to maximum necrosis probability -constexpr real_t kOxygenLimitForNecrosisMaximum= 2.5; +constexpr real_t kOxygenLimitForNecrosisMaximum = 2.5; /// Time in minutes until a lysed necrotic cell is removed from the simulation -constexpr real_t kTimeLysis = 60*24*60.; +constexpr real_t kTimeLysis = 60 * 24 * 60.; /// Rate of cell division in min**-1 -constexpr real_t kDivisionRate = 0.02717 / 60.0; -/// Maximum rate per minute of necrosis for tumor cells in case of hypoxia with 0 oxygen -constexpr real_t kMaximumNecrosisRate= 1.0 / (6.0 * 60.0); +constexpr real_t kDivisionRate = 0.02717 / 60.0; +/// Maximum rate per minute of necrosis for tumor cells in case of hypoxia with +/// 0 oxygen +constexpr real_t kMaximumNecrosisRate = 1.0 / (6.0 * 60.0); /// Default oxygen consumption rate of tumor cell -constexpr real_t kDefaultOxygenConsumption = 10.0; -///Volume parameters -/// Default total volume of a new tumor cell in μm³ -constexpr real_t kDefaultVolumeNewTumorCell = 2494.0; +constexpr real_t kDefaultOxygenConsumption = 10.0; +/// Volume parameters +/// Default total volume of a new tumor cell in μm³ +constexpr real_t kDefaultVolumeNewTumorCell = 2494.0; /// Default volume of the nucleus of a new tumor cell in μm³ -constexpr real_t kDefaultVolumeNucleusTumorCell = 540.0; +constexpr real_t kDefaultVolumeNucleusTumorCell = 540.0; /// Default fraction of fluid volume in a new tumor cell -constexpr real_t kDefaultFractionFluidTumorCell = 0.75; +constexpr real_t kDefaultFractionFluidTumorCell = 0.75; +/// volume relaxation rate (min^-1) for each state +constexpr real_t kVolumeRelaxarionRateAliveCytoplasm = + 0.13 / 60.; // 0.27/ 60.0; +constexpr real_t kVolumeRelaxarionRateAliveNucleus = 0.22 / 60.; // 0.33/60. +constexpr real_t kVolumeRelaxarionRateAliveFluid = 1.3 / 60.; // 3.0/60. -///volume relaxation rate (min^-1) for each state -constexpr real_t kVolumeRelaxarionRateAliveCytoplasm =0.13/60.;// 0.27/ 60.0; -constexpr real_t kVolumeRelaxarionRateAliveNucleus = 0.22/60.;//0.33/60. -constexpr real_t kVolumeRelaxarionRateAliveFluid = 1.3/60.;//3.0/60. +constexpr real_t kVolumeRelaxarionRateCytoplasmNecroticSwelling = 0.0032 / 60.0; +constexpr real_t kVolumeRelaxarionRateNucleusNecroticSwelling = 0.013 / 60.; +constexpr real_t kVolumeRelaxarionRateFluidNecroticSwelling = 0.050 / 60.0; -constexpr real_t kVolumeRelaxarionRateCytoplasmNecroticSwelling = 0.0032/60.0; -constexpr real_t kVolumeRelaxarionRateNucleusNecroticSwelling = 0.013/60.; -constexpr real_t kVolumeRelaxarionRateFluidNecroticSwelling = 0.050/60.0; - -constexpr real_t kVolumeRelaxarionRateCytoplasmNecroticLysed = 0.0032/60.00; -constexpr real_t kVolumeRelaxarionRateNucleusNecroticLysed = 0.013/60.; -constexpr real_t kVolumeRelaxarionRateFluidNecroticLysed = 0.050/60.0; +constexpr real_t kVolumeRelaxarionRateCytoplasmNecroticLysed = 0.0032 / 60.00; +constexpr real_t kVolumeRelaxarionRateNucleusNecroticLysed = 0.013 / 60.; +constexpr real_t kVolumeRelaxarionRateFluidNecroticLysed = 0.050 / 60.0; /// /// General Hyperparameters /// /// Seed for random number generation -constexpr int kSeed =3; +constexpr int kSeed = 3; /// 0.01 minutes time step for substances secretion/consumption -constexpr real_t kDtSubstances = 0.01; +constexpr real_t kDtSubstances = 0.01; /// 0.1 minutes time step for the cell mechanics -constexpr real_t kDtMechanics = 0.1; +constexpr real_t kDtMechanics = 0.1; /// 6 minutes time step for the cell cycle -constexpr real_t kDtCycle = 6.0; +constexpr real_t kDtCycle = 6.0; -/// General time step for the simulation: it is the same as kDtMechanics, do not modify this line -constexpr real_t kDt = kDtMechanics; -/// Number of steps per cycle step, do not modify this line. Needs to be computed to avoid errors with fmod -constexpr int kStepsPerCycle = kDtCycle / kDt; +/// General time step for the simulation: it is the same as kDtMechanics, do not +/// modify this line +constexpr real_t kDt = kDtMechanics; +/// Number of steps per cycle step, do not modify this line. Needs to be +/// computed to avoid errors with fmod +constexpr int kStepsPerCycle = kDtCycle / kDt; /// Output little summary each half a day -constexpr int kOutputCsvInterval = 12*60/kDt; - +constexpr int kOutputCsvInterval = 12 * 60 / kDt; /// Total simulation time in minutes (30 days) -constexpr int kTotalMinutesToSimulate = 30*24*60; +constexpr int kTotalMinutesToSimulate = 30 * 24 * 60; /// Length of the bounded space in micrometers -constexpr int kBoundedSpaceLength = 1000; +constexpr int kBoundedSpaceLength = 1000; /// Initial radius of the spherical tumor (group of cancer cells) in micrometers -constexpr real_t kInitialRadiusTumor = 150; +constexpr real_t kInitialRadiusTumor = 150; - -constexpr real_t kVolumeRelaxarionRateCytoplasmApoptotic = 1.0/60.0; -constexpr real_t kVolumeRelaxarionRateNucleusApoptotic = 0.35/60.0; +constexpr real_t kVolumeRelaxarionRateCytoplasmApoptotic = 1.0 / 60.0; +constexpr real_t kVolumeRelaxarionRateNucleusApoptotic = 0.35 / 60.0; constexpr real_t kVolumeRelaxarionRateFluidApoptotic = 0.0; /// Time in minutes until an apoptotic cell is removed from the simulation -constexpr real_t kTimeApoptosis = 8.6*60; +constexpr real_t kTimeApoptosis = 8.6 * 60; /// Reduction of consumption rate of dead cells when they enter necrosis -constexpr real_t kReductionConsumptionDeadCells= 0.1; - +constexpr real_t kReductionConsumptionDeadCells = 0.1; - -///Chemicals -/// Number of voxels per axis for the substances grid -constexpr int kResolutionGridSubstances = 50; //50 // voxels per axis +/// Chemicals +/// Number of voxels per axis for the substances grid +constexpr int kResolutionGridSubstances = 50; // 50 // voxels per axis /// Volume of a single voxel in μm³ (do not modify this line) -constexpr real_t kVoxelVolume = (kBoundedSpaceLength / kResolutionGridSubstances)*(kBoundedSpaceLength / kResolutionGridSubstances)*(kBoundedSpaceLength/ kResolutionGridSubstances); //Do not modify this line +constexpr real_t kVoxelVolume = + (kBoundedSpaceLength / kResolutionGridSubstances) * + (kBoundedSpaceLength / kResolutionGridSubstances) * + (kBoundedSpaceLength / + kResolutionGridSubstances); // Do not modify this line /// Diffusion coefficient of oxygen in μm²/min -constexpr real_t kDiffusionCoefficientOxygen = 100000; // 100000 micrometers^2/minute +constexpr real_t kDiffusionCoefficientOxygen = + 100000; // 100000 micrometers^2/minute /// Decay constant of oxygen in min⁻¹ -constexpr real_t kDecayConstantOxygen = 0.1; // 0.1 minutes^-1 +constexpr real_t kDecayConstantOxygen = 0.1; // 0.1 minutes^-1 /// Diffusion coefficient of immunostimulatory factor in μm²/min -constexpr real_t kDiffusionCoefficientImmunostimulatoryFactor = 1000; // 1000 micrometers^2/minute +constexpr real_t kDiffusionCoefficientImmunostimulatoryFactor = + 1000; // 1000 micrometers^2/minute /// Decay constant of immunostimulatory factor in min⁻¹ -constexpr real_t kDecayConstantImmunostimulatoryFactor = 0.016; // 0.016 minutes^-1 +constexpr real_t kDecayConstantImmunostimulatoryFactor = + 0.016; // 0.016 minutes^-1 /// Time step for oxygen diffusion in minutes -constexpr real_t kTimeStepOxygen = 0.0005; // 0.001 minutes CHANGE +constexpr real_t kTimeStepOxygen = 0.0005; // 0.001 minutes CHANGE /// Time step for immunostimulatory factor diffusion in minutes -constexpr real_t kTimeStepImmunostimulatoryFactor = 0.01; // 0.01 minutes +constexpr real_t kTimeStepImmunostimulatoryFactor = 0.01; // 0.01 minutes /// Reference level of oxygen at the boundaries in mmHg -constexpr real_t kOxygenReferenceLevel = 38.; // Reference level of oxygen at the boundaries of the simulation space in mmHg +constexpr real_t kOxygenReferenceLevel = + 38.; // Reference level of oxygen at the boundaries of the simulation space + // in mmHg /// Initial oxygen concentration in each voxel in mmHg -constexpr real_t kInitialOxygenLevel = 38.0; // Initial voxel concentration of oxygen in mmHg +constexpr real_t kInitialOxygenLevel = + 38.0; // Initial voxel concentration of oxygen in mmHg /// Oxygen saturation in the microenvironment in mmHg -constexpr real_t kOxygenSaturation = 30.0; //30.0 // Oxygen saturation in mmHg in microenvironment -///Forces -/// Repulsion coeficient between tumor cells -constexpr real_t kRepulsionTumorTumor = 10.0; +constexpr real_t kOxygenSaturation = + 30.0; // 30.0 // Oxygen saturation in mmHg in microenvironment +/// Forces +/// Repulsion coeficient between tumor cells +constexpr real_t kRepulsionTumorTumor = 10.0; /// Repulsion coeficient between CAR-T cells -constexpr real_t kRepulsionCartCart = 50.0; +constexpr real_t kRepulsionCartCart = 50.0; /// Repulsion coeficient between CAR-T cells and tumor cells -constexpr real_t kRepulsionCartTumor = 50.0; +constexpr real_t kRepulsionCartTumor = 50.0; /// Repulsion coeficient between tumor cells and CAR-T cells -constexpr real_t kRepulsionTumorCart = 10.0; +constexpr real_t kRepulsionTumorCart = 10.0; /// Maximum relative adhesion distance for cell interactions -constexpr real_t kMaxRelativeAdhesionDistance =1.25; +constexpr real_t kMaxRelativeAdhesionDistance = 1.25; /// Adhesion coeficient between tumor cells -constexpr real_t kAdhesionTumorTumor = 0.4; +constexpr real_t kAdhesionTumorTumor = 0.4; /// Adhesion coeficient between CAR-T cells -constexpr real_t kAdhesionCartCart = 0.0; +constexpr real_t kAdhesionCartCart = 0.0; /// Adhesion coeficient between CAR-T cells and tumor cells -constexpr real_t kAdhesionCartTumor = 0.0; +constexpr real_t kAdhesionCartTumor = 0.0; /// Adhesion coeficient between tumor cells and CAR-T cells -constexpr real_t kAdhesionTumorCart = 0.0; - -///Do not change -//coefficientes for the two step Adams-Bashforth approximation of the time derivative for position -//position(t + dt) ≈ position(t) + dt * [ 1.5 * velocity(t) - 0.5 * velocity(t - dt) ] -/// Coefficient for the current time step in the Adams-Bashforth method (dt * 1.5) -constexpr real_t kDnew = 1.5 * kDtMechanics; -/// Coefficient for the previous time step in the Adams-Bashforth method (dt * -0.5) +constexpr real_t kAdhesionTumorCart = 0.0; + +/// Do not change +// coefficientes for the two step Adams-Bashforth approximation of the time +// derivative for position position(t + dt) ≈ position(t) + dt * [ 1.5 * +// velocity(t) - 0.5 * velocity(t - dt) ] +/// Coefficient for the current time step in the Adams-Bashforth method (dt +/// * 1.5) +constexpr real_t kDnew = 1.5 * kDtMechanics; +/// Coefficient for the previous time step in the Adams-Bashforth method (dt * +/// -0.5) constexpr real_t kDold = -0.5 * kDtMechanics; -///Do not change this line -const real_t kLengthBoxMechanics =22; // Length of the box for mechanics in micrometers - -///Max Distance for considering two cells as neighbours for force calculations in μm -///Do not change this line -const real_t kSquaredMaxDistanceNeighborsForce = std::pow(0.1+ std::cbrt(kDefaultVolumeNewTumorCell * 6 / Math::kPi) * kMaxRelativeAdhesionDistance,2);// (twice biggest cell radius (in case to cells tha maximum size encounter each other) times kMaxRelativeAdhesionDistance + 0.1 to avoid mismatch because of numerical errors)**2 +/// Do not change this line +const real_t kLengthBoxMechanics = + 22; // Length of the box for mechanics in micrometers +/// Max Distance for considering two cells as neighbours for force calculations +/// in μm Do not change this line +const real_t kSquaredMaxDistanceNeighborsForce = std::pow( + 0.1 + std::cbrt(kDefaultVolumeNewTumorCell * 6 / Math::kPi) * + kMaxRelativeAdhesionDistance, + 2); // (twice biggest cell radius (in case to cells tha maximum size + // encounter each other) times kMaxRelativeAdhesionDistance + 0.1 to + // avoid mismatch because of numerical errors)**2 /// /// CAR-T Cell Hyperparameters /// -constexpr real_t kAverageMaximumTimeUntillApoptosisCart= kDtCycle* 10.0 * 24.0 * 60.0; -///Volume parameters -/// Default total volume of a new CAR-T cell in μm³ -constexpr real_t kDefaultVolumeNewCartCell = 2494.0; +constexpr real_t kAverageMaximumTimeUntillApoptosisCart = + kDtCycle * 10.0 * 24.0 * 60.0; +/// Volume parameters +/// Default total volume of a new CAR-T cell in μm³ +constexpr real_t kDefaultVolumeNewCartCell = 2494.0; /// Default volume of the nucleus of a new CAR-T cell in μm³ -constexpr real_t kDefaultVolumeNucleusCartCell = 540.0; +constexpr real_t kDefaultVolumeNucleusCartCell = 540.0; /// Default fraction of fluid volume in a new CAR-T cell -constexpr real_t kDefaultFractionFluidCartCell = 0.75; - +constexpr real_t kDefaultFractionFluidCartCell = 0.75; } // namespace bdm diff --git a/src/tumor_cell.cc b/src/tumor_cell.cc index c975516..703eb3f 100644 --- a/src/tumor_cell.cc +++ b/src/tumor_cell.cc @@ -1,5 +1,6 @@ /* - * Copyright 2025 compiler-research.org, Salvador de la Torre Gonzalez, Luciana Melina Luque + * Copyright 2025 compiler-research.org, Salvador de la Torre Gonzalez, Luciana + * Melina Luque * * Licensed under the Apache License, Version 2.0 (the "License"); * you may not use this file except in compliance with the License. @@ -21,145 +22,212 @@ #include "hyperparams.h" #include "utils_aux.h" - namespace bdm { TumorCell::TumorCell(const Real3& position) { SetPosition(position); state_ = TumorCellState::kAlive; // Default state for new cells - timer_state_ = 0; // Initial timer_state + timer_state_ = 0; // Initial timer_state - //volumes + // volumes SetVolume(kDefaultVolumeNewTumorCell); // Set default volume - SetFluidFraction(kDefaultFractionFluidTumorCell); // Set default fluid fraction - SetNuclearVolume(kDefaultVolumeNucleusTumorCell); // Set default nuclear volume - //target volumes - SetTargetFractionFluid(kDefaultFractionFluidTumorCell); // Set target fraction of fluid - SetTargetRelationCytoplasmNucleus((kDefaultVolumeNewTumorCell - kDefaultVolumeNucleusTumorCell) / ( 1e-16 + kDefaultVolumeNucleusTumorCell)); // Set target relation between cytoplasm and nucleus - SetTargetNucleusSolid(kDefaultVolumeNucleusTumorCell*(1-kDefaultFractionFluidTumorCell)); // Set target nucleus solid volume to real_t - SetTargetCytoplasmSolid((kDefaultVolumeNewTumorCell - kDefaultVolumeNucleusTumorCell) * (1 - kDefaultFractionFluidTumorCell)); // Set target cytoplasm solid volume to real_t - - SetOncoproteineLevel(SamplePositiveGaussian(kOncoproteinMean,kOncoproteinStandardDeviation)); // Set initial oncoproteine level with a truncated normal distribution + SetFluidFraction( + kDefaultFractionFluidTumorCell); // Set default fluid fraction + SetNuclearVolume( + kDefaultVolumeNucleusTumorCell); // Set default nuclear volume + // target volumes + SetTargetFractionFluid( + kDefaultFractionFluidTumorCell); // Set target fraction of fluid + SetTargetRelationCytoplasmNucleus( + (kDefaultVolumeNewTumorCell - kDefaultVolumeNucleusTumorCell) / + (1e-16 + kDefaultVolumeNucleusTumorCell)); // Set target relation between + // cytoplasm and nucleus + SetTargetNucleusSolid( + kDefaultVolumeNucleusTumorCell * + (1 - kDefaultFractionFluidTumorCell)); // Set target nucleus solid volume + // to real_t + SetTargetCytoplasmSolid( + (kDefaultVolumeNewTumorCell - kDefaultVolumeNucleusTumorCell) * + (1 - kDefaultFractionFluidTumorCell)); // Set target cytoplasm solid + // volume to real_t + + SetOncoproteineLevel(SamplePositiveGaussian( + kOncoproteinMean, + kOncoproteinStandardDeviation)); // Set initial oncoproteine level with a + // truncated normal distribution // SetOncoproteineLevel(1.); //Debug - oxygen_dgrid_ = Simulation::GetActive()->GetResourceManager()->GetDiffusionGrid("oxygen"); // Pointer to oxygen diffusion grid - immunostimulatory_factor_dgrid_ = Simulation::GetActive()->GetResourceManager()->GetDiffusionGrid("immunostimulatory_factor"); // Pointer to immunostimulatory_factor diffusion grid - SetTransformationRandomRate(); // Set state transition random rate - attached_to_cart_ = false; // Initially not attached to a cart - - older_velocity_ = {0, 0, 0}; // Initialize the velocity of the cell in the previous step to zero - - //Add Consumption and Secretion - SetOxygenConsumptionRate(kDefaultOxygenConsumption); // Set default oxygen consumption rate - SetImmunostimulatoryFactorSecretionRate(kRateSecretionImmunostimulatoryFactor); // Set default immunostimulatory factor secretion rate - ComputeConstantsConsumptionSecretion(); // Compute constants for all ConsumptionSecretion of Oxygen and Immunostimulatory Factors - + oxygen_dgrid_ = + Simulation::GetActive()->GetResourceManager()->GetDiffusionGrid( + "oxygen"); // Pointer to oxygen diffusion grid + immunostimulatory_factor_dgrid_ = + Simulation::GetActive()->GetResourceManager()->GetDiffusionGrid( + "immunostimulatory_factor"); // Pointer to immunostimulatory_factor + // diffusion grid + SetTransformationRandomRate(); // Set state transition random rate + attached_to_cart_ = false; // Initially not attached to a cart + + older_velocity_ = { + 0, 0, + 0}; // Initialize the velocity of the cell in the previous step to zero + + // Add Consumption and Secretion + SetOxygenConsumptionRate( + kDefaultOxygenConsumption); // Set default oxygen consumption rate + SetImmunostimulatoryFactorSecretionRate( + kRateSecretionImmunostimulatoryFactor); // Set default immunostimulatory + // factor secretion rate + ComputeConstantsConsumptionSecretion(); // Compute constants for all + // ConsumptionSecretion of Oxygen and + // Immunostimulatory Factors } /// Called when a new agent is created (e.g., after cell division) void TumorCell::Initialize(const NewAgentEvent& event) { Base::Initialize(event); - if (auto* mother = dynamic_cast(event.existing_agent)) {//if the cell is created from division + if (auto* mother = dynamic_cast( + event.existing_agent)) { // if the cell is created from division if (event.GetUid() == CellDivisionEvent::kUid) { - //Initialize daughter cell from mother cell + // Initialize daughter cell from mother cell state_ = TumorCellState::kAlive; // state after division timer_state_ = 0; - //diffusion grids - oxygen_dgrid_ = mother->oxygen_dgrid_; // Pointer to the oxygen diffusion grid - immunostimulatory_factor_dgrid_ = mother->immunostimulatory_factor_dgrid_; // Pointer to the immunostimulatory_factor diffusion grid - this->SetOncoproteineLevel(mother->oncoproteine_level_); // inherit oncoproteine level from mother cell - this->SetOxygenConsumptionRate(mother->GetOxygenConsumptionRate()); // inherit oxygen consumption rate from mother cell - this->SetImmunostimulatoryFactorSecretionRate(mother->GetImmunostimulatoryFactorSecretionRate()); // inherit immunostimulatory factor secretion rate from mother cell + // diffusion grids + oxygen_dgrid_ = + mother->oxygen_dgrid_; // Pointer to the oxygen diffusion grid + immunostimulatory_factor_dgrid_ = + mother->immunostimulatory_factor_dgrid_; // Pointer to the + // immunostimulatory_factor + // diffusion grid + this->SetOncoproteineLevel( + mother->oncoproteine_level_); // inherit oncoproteine level from + // mother cell + this->SetOxygenConsumptionRate( + mother->GetOxygenConsumptionRate()); // inherit oxygen consumption + // rate from mother cell + this->SetImmunostimulatoryFactorSecretionRate( + mother + ->GetImmunostimulatoryFactorSecretionRate()); // inherit + // immunostimulatory + // factor secretion + // rate from mother + // cell // Update the constants for all ConsumptionSecretion mother->ComputeConstantsConsumptionSecretion(); this->ComputeConstantsConsumptionSecretion(); - - //divde mother's nuclear volume by 2 - real_t new_nuclear_volume = mother->GetNuclearVolume() / 2.0; // Divide mother's nuclear volume by 2 - mother->SetNuclearVolume(new_nuclear_volume); // Set mother's nuclear volume to the new volume + // divde mother's nuclear volume by 2 + real_t new_nuclear_volume = mother->GetNuclearVolume() / + 2.0; // Divide mother's nuclear volume by 2 + mother->SetNuclearVolume( + new_nuclear_volume); // Set mother's nuclear volume to the new volume this->SetNuclearVolume(new_nuclear_volume); - //Inherit mother's fluid fraction and velocity - this->SetFluidFraction(mother->GetFluidFraction()); // Set fluid fraction to mother's fluid fraction - this->SetOlderVelocity(mother->GetOlderVelocity()); // Copy velocity from mother cell + // Inherit mother's fluid fraction and velocity + this->SetFluidFraction( + mother->GetFluidFraction()); // Set fluid fraction to mother's fluid + // fraction + this->SetOlderVelocity( + mother->GetOlderVelocity()); // Copy velocity from mother cell - //inherit target volumes of the daughter cell + // inherit target volumes of the daughter cell this->SetTargetFractionFluid(mother->GetTargetFractionFluid()); - this->SetTargetRelationCytoplasmNucleus(mother->GetTargetRelationCytoplasmNucleus()); + this->SetTargetRelationCytoplasmNucleus( + mother->GetTargetRelationCytoplasmNucleus()); this->SetTargetNucleusSolid(mother->GetTargetNucleusSolid()); this->SetTargetCytoplasmSolid(mother->GetTargetCytoplasmSolid()); - this->SetTransformationRandomRate(); // Set state transition random rate - this->attached_to_cart_ = false; // Initially not attached to a cart + this->SetTransformationRandomRate(); // Set state transition random rate + this->attached_to_cart_ = false; // Initially not attached to a cart } } } -void TumorCell::SetOncoproteineLevel(real_t level) { - oncoproteine_level_ = level; //oncoproteine_level_ - //cell type - if (level >= 1.5) {//between 1.5 and 2.0 - type_ = 1; - } else if (level >= 1.0 && level < 1.5) { - type_ = 2; - } else if (level >= 0.5 && level < 1.0) { - type_ = 3; - } else {//between 0.0 and 0.5 - type_ = 4; - } +void TumorCell::SetOncoproteineLevel(real_t level) { + oncoproteine_level_ = level; // oncoproteine_level_ + // cell type + if (level >= 1.5) { // between 1.5 and 2.0 + type_ = 1; + } else if (level >= 1.0 && level < 1.5) { + type_ = 2; + } else if (level >= 0.5 && level < 1.0) { + type_ = 3; + } else { // between 0.0 and 0.5 + type_ = 4; + } } -void TumorCell::SetTransformationRandomRate() { +void TumorCell::SetTransformationRandomRate() { // avoid division by zero - transformation_random_rate_ = 1/(std::max(SamplePositiveGaussian(38.6,3.7)*60., 1e-16)); + transformation_random_rate_ = + 1 / (std::max(SamplePositiveGaussian(38.6, 3.7) * 60., 1e-16)); } real_t TumorCell::GetTargetTotalVolume() const { - return GetTargetNucleusSolid() * (1 + GetTargetRelationCytoplasmNucleus()) / (1 - GetTargetFractionFluid()); + return GetTargetNucleusSolid() * (1 + GetTargetRelationCytoplasmNucleus()) / + (1 - GetTargetFractionFluid()); } -// This method explicitly solves the system of exponential relaxation differential equation using a discrete -// update step. It is used to grow or shrink the volume (and proportions) smoothly toward a desired target -// volume over time. The relaxations rate controls the speed of convergence -void TumorCell::ChangeVolumeExponentialRelaxationEquation(real_t relaxation_rate_cytoplasm, real_t relaxation_rate_nucleus, real_t relaxation_rate_fluid) { +// This method explicitly solves the system of exponential relaxation +// differential equation using a discrete update step. It is used to grow or +// shrink the volume (and proportions) smoothly toward a desired target volume +// over time. The relaxations rate controls the speed of convergence +void TumorCell::ChangeVolumeExponentialRelaxationEquation( + real_t relaxation_rate_cytoplasm, real_t relaxation_rate_nucleus, + real_t relaxation_rate_fluid) { // Exponential relaxation towards the target volume real_t current_total_volume = GetVolume(); - real_t fluid_fraction= GetFluidFraction(); + real_t fluid_fraction = GetFluidFraction(); real_t nuclear_volume = GetNuclearVolume(); real_t current_nuclear_solid = nuclear_volume * (1 - fluid_fraction); - real_t current_cytoplasm_solid = (current_total_volume - nuclear_volume) * (1-fluid_fraction); + real_t current_cytoplasm_solid = + (current_total_volume - nuclear_volume) * (1 - fluid_fraction); - // std::cout << "time=" << Simulation::GetActive()->GetScheduler()->GetSimulatedTime() << + // std::cout << "time=" << + // Simulation::GetActive()->GetScheduler()->GetSimulatedTime() << // ", current_total_volume=" << current_total_volume << - // ", current_nuclear_volume=" << nuclear_volume << + // ", current_nuclear_volume=" << nuclear_volume << // ", current_cytoplasm_solid=" << current_cytoplasm_solid << // std::endl; real_t current_fluid = fluid_fraction * current_total_volume; // Update fluid volume - real_t new_fluid = current_fluid + kDtCycle* relaxation_rate_fluid * (GetTargetFractionFluid() * current_total_volume - current_fluid); + real_t new_fluid = + current_fluid + + kDtCycle * relaxation_rate_fluid * + (GetTargetFractionFluid() * current_total_volume - current_fluid); // Clamp to zero to prevent negative volumes - if (new_fluid < 0.0) { new_fluid = 0.0; } - - real_t nuclear_fluid = new_fluid* ( nuclear_volume/ current_total_volume); + if (new_fluid < 0.0) { + new_fluid = 0.0; + } + + real_t nuclear_fluid = new_fluid * (nuclear_volume / current_total_volume); // real_t cytoplasm_fluid = new_fluid - nuclear_fluid; - real_t nuclear_solid = current_nuclear_solid + kDtCycle * relaxation_rate_nucleus * (GetTargetNucleusSolid() - current_nuclear_solid); + real_t nuclear_solid = current_nuclear_solid + + kDtCycle * relaxation_rate_nucleus * + (GetTargetNucleusSolid() - current_nuclear_solid); // Clamp to zero to prevent negative volumes - if (nuclear_solid < 0.0) { nuclear_solid = 0.0; } + if (nuclear_solid < 0.0) { + nuclear_solid = 0.0; + } - real_t target_cytoplasm_solid = GetTargetRelationCytoplasmNucleus() * GetTargetNucleusSolid(); - real_t cytoplasm_solid = current_cytoplasm_solid + kDtCycle * relaxation_rate_cytoplasm * (target_cytoplasm_solid - current_cytoplasm_solid); + real_t target_cytoplasm_solid = + GetTargetRelationCytoplasmNucleus() * GetTargetNucleusSolid(); + real_t cytoplasm_solid = + current_cytoplasm_solid + + kDtCycle * relaxation_rate_cytoplasm * + (target_cytoplasm_solid - current_cytoplasm_solid); // Clamp to zero to prevent negative volumes - if (cytoplasm_solid < 0.0) { cytoplasm_solid = 0.0; } + if (cytoplasm_solid < 0.0) { + cytoplasm_solid = 0.0; + } - real_t new_total_solid= nuclear_solid + cytoplasm_solid; + real_t new_total_solid = nuclear_solid + cytoplasm_solid; - real_t total_nuclear= nuclear_solid + nuclear_fluid; + real_t total_nuclear = nuclear_solid + nuclear_fluid; // real_t total_cytoplasm= cytoplasm_solid + cytoplasm_fluid; @@ -168,43 +236,45 @@ void TumorCell::ChangeVolumeExponentialRelaxationEquation(real_t relaxation_rate // Avoid division by zero real_t new_fraction_fluid = new_fluid / (1e-16 + new_volume); -//Debug Debug Output params -// std::ofstream file("output/volumes.csv", std::ios::app); -// if (file.is_open()) { - -// // Write data to CSV file -// file << Simulation::GetActive()->GetScheduler()->GetSimulatedTime() << ",cytoplasm," -// << new_volume-total_nuclear << ",nuclear," -// << total_nuclear <<",fraction fluid," -// << new_fraction_fluid<< "cytoplasm solid: " -// <GetScheduler()->GetSimulatedTime() << + // ",cytoplasm," + // << new_volume-total_nuclear << ",nuclear," + // << total_nuclear <<",fraction fluid," + // << new_fraction_fluid<< "cytoplasm solid: " + // <GetContinuumId()) { // consuming oxygen - res= (old_concentration + constant1_oxygen_) / constant2_oxygen_; - } else if (substance_id == immunostimulatory_factor_dgrid_->GetContinuumId()) { + res = (old_concentration + constant1_oxygen_) / constant2_oxygen_; + } else if (substance_id == + immunostimulatory_factor_dgrid_->GetContinuumId()) { // secreting immunostimulatory factor - res= (old_concentration + constant1_immunostimulatory_factor_) / constant2_immunostimulatory_factor_; + res = (old_concentration + constant1_immunostimulatory_factor_) / + constant2_immunostimulatory_factor_; } else { - throw std::invalid_argument("Unknown substance id: " + std::to_string(substance_id)); + throw std::invalid_argument("Unknown substance id: " + + std::to_string(substance_id)); } return res; } void TumorCell::ComputeConstantsConsumptionSecretion() { - // constant1_= dt · (V_k / V_voxel) · S_k · ρ*_k) + // constant1_= dt · (V_k / V_voxel) · S_k · ρ*_k) // constant2_ = [1 + dt · (V_k / V_voxel) · (S_k + U_k)] // where: // S_k = secretion rate of cell k @@ -268,47 +345,58 @@ void TumorCell::ComputeConstantsConsumptionSecretion() { // V_k = volume of the cell k // V_voxel = volume of the voxel containing the cell // dt = simulation time step - + real_t new_volume = GetVolume(); - //compute the constants for the differential equation explicit solution: for oxygen and immunostimulatory factor - //dt*(cell_volume/voxel_volume)*quantity_secretion*substance_saturation = dt · (V_k / V_voxel) · S_k · ρ*_k) + // compute the constants for the differential equation explicit solution: for + // oxygen and immunostimulatory factor + // dt*(cell_volume/voxel_volume)*quantity_secretion*substance_saturation = dt + // · (V_k / V_voxel) · S_k · ρ*_k) constant1_oxygen_ = 0.; // Scale by the volume of the cell in the Voxel and time step - constant1_immunostimulatory_factor_ = immunostimulatory_factor_secretion_rate_ * kSaturationDensityImmunostimulatoryFactor * kDtSubstances * (new_volume / kVoxelVolume); - //1 + dt*(cell_volume/voxel_volume)*(quantity_secretion + quantity_consumption ) = [1 + dt · (V_k / V_voxel) · (S_k + U_k)] + constant1_immunostimulatory_factor_ = + immunostimulatory_factor_secretion_rate_ * + kSaturationDensityImmunostimulatoryFactor * kDtSubstances * + (new_volume / kVoxelVolume); + // 1 + dt*(cell_volume/voxel_volume)*(quantity_secretion + + // quantity_consumption ) = [1 + dt · (V_k / V_voxel) · (S_k + U_k)] + // Scale by the volume of the cell in the Voxel and time step + constant2_oxygen_ = 1 + kDtSubstances * (new_volume / kVoxelVolume) * + (oxygen_consumption_rate_); // Scale by the volume of the cell in the Voxel and time step - constant2_oxygen_ = 1 + kDtSubstances * (new_volume/ kVoxelVolume) * (oxygen_consumption_rate_); - // Scale by the volume of the cell in the Voxel and time step - constant2_immunostimulatory_factor_ = 1 + kDtSubstances * (new_volume/ kVoxelVolume) * (immunostimulatory_factor_secretion_rate_); + constant2_immunostimulatory_factor_ = + 1 + kDtSubstances * (new_volume / kVoxelVolume) * + (immunostimulatory_factor_secretion_rate_); } /// Main behavior executed at each simulation step void StateControlGrowProliferate::Run(Agent* agent) { - auto* sim = Simulation::GetActive(); - if(sim->GetScheduler()->GetSimulatedSteps() % kStepsPerCycle != 0){return;}// Run only every kDtCycle minutes, fmod does not work with the type returned by GetSimulatedTime() - //Debug - // // Print simulation minute and number of TumorCell agents - // int num_steps = sim->GetScheduler()->GetSimulatedSteps(); - // int current_minute = 6 * num_steps; - // size_t num_cells = sim->GetResourceManager()->GetNumAgents(); - // int current_hour = current_minute / 60; - // int current_day = current_hour / 24; - // std::cout << "Dia: " << current_day << " Hora: " << (current_hour % 24) - // << " Minuto: " << (current_minute % 60) - // << " Numero de celulas: " << num_cells << std::endl; - // // ---------------------------------------- - // // End Debug + if (sim->GetScheduler()->GetSimulatedSteps() % kStepsPerCycle != 0) { + return; + } // Run only every kDtCycle minutes, fmod does not work with the type + // returned by GetSimulatedTime() + // Debug + // // Print simulation minute and number of TumorCell agents + // int num_steps = sim->GetScheduler()->GetSimulatedSteps(); + // int current_minute = 6 * num_steps; + // size_t num_cells = sim->GetResourceManager()->GetNumAgents(); + // int current_hour = current_minute / 60; + // int current_day = current_hour / 24; + // std::cout << "Dia: " << current_day << " Hora: " << (current_hour % 24) + // << " Minuto: " << (current_minute % 60) + // << " Numero de celulas: " << num_cells << std::endl; + // // ---------------------------------------- + // // End Debug if (auto* cell = dynamic_cast(agent)) { - if (cell->IsAttachedToCart()) { // If the cell is attached to a cart, skip the state control and growth return; } // Oxygen levels Real3 current_position = cell->GetPosition(); - auto* oxygen_dgrid = cell->GetOxygenDiffusionGrid(); // Pointer to the oxygen diffusion grid + auto* oxygen_dgrid = + cell->GetOxygenDiffusionGrid(); // Pointer to the oxygen diffusion grid real_t oxygen_level = oxygen_dgrid->GetValue(current_position); // oxygen_level = 30.; // Debug @@ -318,47 +406,63 @@ void StateControlGrowProliferate::Run(Agent* agent) { real_t multiplier; real_t final_rate_transition; - switch (cell->GetState()) - { - case TumorCellState::kAlive:{//the cell is growing to real_t its size before mitosis - cell->SetTimerState(cell->GetTimerState() + kDtCycle); // Increase timer_state to track time in this state (kDtCycle minutes per step) - - - if (ShouldEnterNecrosis(oxygen_level, cell)) { // Enter necrosis if oxygen level is too low - return; // Exit the function to prevent further processing + switch (cell->GetState()) { + case TumorCellState::kAlive: { // the cell is growing to real_t its size + // before mitosis + cell->SetTimerState( + cell->GetTimerState() + + kDtCycle); // Increase timer_state to track time in this state + // (kDtCycle minutes per step) + + if (ShouldEnterNecrosis( + oxygen_level, + cell)) { // Enter necrosis if oxygen level is too low + return; // Exit the function to prevent further processing } - //volume change - cell->ChangeVolumeExponentialRelaxationEquation(kVolumeRelaxarionRateAliveCytoplasm, - kVolumeRelaxarionRateAliveNucleus, - kVolumeRelaxarionRateAliveFluid); // The cell grows to real_t its size - //cell state control - multiplier = 1.0; // Default multiplier for transition cycle - if (oxygen_level < kOxygenSaturationInProliferation) {//oxygen threshold for considering an effect on the proliferation cycle - multiplier = (oxygen_level-kOxygenLimitForProliferation)/(kOxygenSaturationInProliferation-kOxygenLimitForProliferation); + // volume change + cell->ChangeVolumeExponentialRelaxationEquation( + kVolumeRelaxarionRateAliveCytoplasm, + kVolumeRelaxarionRateAliveNucleus, + kVolumeRelaxarionRateAliveFluid); // The cell grows to real_t its + // size + // cell state control + multiplier = 1.0; // Default multiplier for transition cycle + if (oxygen_level < + kOxygenSaturationInProliferation) { // oxygen threshold for + // considering an effect on the + // proliferation cycle + multiplier = + (oxygen_level - kOxygenLimitForProliferation) / + (kOxygenSaturationInProliferation - kOxygenLimitForProliferation); } - if(oxygen_level < kOxygenLimitForProliferation) { - multiplier = 0.0; // If oxygen is below the limit, set multiplier to 0 + if (oxygen_level < kOxygenLimitForProliferation) { + multiplier = + 0.0; // If oxygen is below the limit, set multiplier to 0 } // double multiplier1 = multiplier; //Debug - - final_rate_transition= cell->GetTransformationRandomRate() * multiplier * cell->GetOncoproteineLevel(); // Calculate the rate of state change based on oxygen level and oncoproteine (min^-1) - - //Debug - // int current_time = sim->GetScheduler()->GetSimulatedSteps()* kDt; // Get the current time step in minutes - // std::ofstream file("output/simulation_data_mine" + std::to_string(current_time/(12*60)) + ".csv", std::ios::app); - // if (file.is_open()) { - // file << oxygen_level << "," - // << cell->GetOncoproteineLevel() << "," - // <GetTransformationRandomRate()<< "," - // << final_rate_transition << "\n"; - // } - //End Debug - - //Debug Debug Output params - // std::ofstream file2("output/params_o2_oncoproteine.csv", std::ios::app); - // if (file2.is_open()) { + final_rate_transition = + cell->GetTransformationRandomRate() * multiplier * + cell->GetOncoproteineLevel(); // Calculate the rate of state change + // based on oxygen level and + // oncoproteine (min^-1) + + // Debug + // int current_time = sim->GetScheduler()->GetSimulatedSteps()* kDt; // + // Get the current time step in minutes std::ofstream + // file("output/simulation_data_mine" + + // std::to_string(current_time/(12*60)) + ".csv", std::ios::app); if + // (file.is_open()) { file << oxygen_level << "," + // << cell->GetOncoproteineLevel() << "," + // <GetTransformationRandomRate()<< "," + // << final_rate_transition << "\n"; + // } + // End Debug + + // Debug Debug Output params + // std::ofstream file2("output/params_o2_oncoproteine.csv", + // std::ios::app); if (file2.is_open()) { // // Write data to CSV file // file2 << currennt_time << ",multiplier1," @@ -368,145 +472,198 @@ void StateControlGrowProliferate::Run(Agent* agent) { // <<"\n"; // } // End Debug Output - //End Debug + // End Debug // //volume change // cell->ChangeVolumeExponentialRelaxationEquation(kVolumeRelaxarionRateAliveCytoplasm, // kVolumeRelaxarionRateAliveNucleus, - // kVolumeRelaxarionRateAliveFluid); // The cell grows to real_t its size + // kVolumeRelaxarionRateAliveFluid); + // // The cell grows to + // real_t its size // //cell state control // multiplier = 1.0; // Default multiplier for transition cycle - // if (oxygen_level < kOxygenSaturationInProliferation) {//oxygen threshold for considering an effect on the proliferation cycle - // multiplier = (oxygen_level-kOxygenLimitForProliferation)/(kOxygenSaturationInProliferation-kOxygenLimitForProliferation); + // if (oxygen_level < kOxygenSaturationInProliferation) {//oxygen + // threshold for considering an effect on the proliferation cycle + // multiplier = + // (oxygen_level-kOxygenLimitForProliferation)/(kOxygenSaturationInProliferation-kOxygenLimitForProliferation); // } // if(oxygen_level < kOxygenLimitForProliferation) { - // multiplier = 0.0; // If oxygen is below the limit, set multiplier to 0 + // multiplier = 0.0; // If oxygen is below the limit, set multiplier + // to 0 // } - - // final_rate_transition= cell->GetTransformationRandomRate() * multiplier * cell->GetOncoproteineLevel(); // Calculate the rate of state change based on oxygen level and oncoproteine (min^-1) - - real_t time_to_wait=1e100; // Set a very large time to avoid division by zero + // final_rate_transition= cell->GetTransformationRandomRate() * + // multiplier * cell->GetOncoproteineLevel(); // Calculate the rate of + // state change based on oxygen level and oncoproteine (min^-1) + + real_t time_to_wait = + 1e100; // Set a very large time to avoid division by zero if (final_rate_transition > 0) { - time_to_wait = 1./final_rate_transition; // Calculate the time to transition (in minutes ) + time_to_wait = + 1. / final_rate_transition; // Calculate the time to transition + // (in minutes ) } - if (time_to_wait< cell->GetTimerState()) { // If the timer_state exceeds the time to transition, change state (this is a fixed duration transition) - //mitosis: cell divides + if (time_to_wait < + cell->GetTimerState()) { // If the timer_state exceeds the time to + // transition, change state (this is a + // fixed duration transition) + // mitosis: cell divides cell->SetState(TumorCellState::kAlive); cell->Divide(); cell->SetTimerState(0); // Reset timer_state } break; } - case TumorCellState::kNecroticSwelling:{//the cell is swelling before lysing - cell->SetTimerState(cell->GetTimerState() + kDtCycle); // Increase timer_state to track time in this state (kDtCycle minutes per step) - //volume change - // The cell swells - cell->ChangeVolumeExponentialRelaxationEquation(kVolumeRelaxarionRateCytoplasmNecroticSwelling, - kVolumeRelaxarionRateNucleusNecroticSwelling, - kVolumeRelaxarionRateFluidNecroticSwelling); - if (cell->GetVolume() >= 2*kDefaultVolumeNewTumorCell) { // If the cell has swollen to 2 times its original volume, it lyses - cell->SetState(TumorCellState::kNecroticLysed); // Change state to necrotic lysed - cell->SetTimerState(0); // Reset timer_state + case TumorCellState::kNecroticSwelling: { // the cell is swelling before + // lysing + cell->SetTimerState( + cell->GetTimerState() + + kDtCycle); // Increase timer_state to track time in this state + // (kDtCycle minutes per step) + // volume change + // The cell swells + cell->ChangeVolumeExponentialRelaxationEquation( + kVolumeRelaxarionRateCytoplasmNecroticSwelling, + kVolumeRelaxarionRateNucleusNecroticSwelling, + kVolumeRelaxarionRateFluidNecroticSwelling); + if (cell->GetVolume() >= + 2 * kDefaultVolumeNewTumorCell) { // If the cell has swollen to 2 + // times its original volume, it + // lyses + cell->SetState(TumorCellState::kNecroticLysed); // Change state to + // necrotic lysed + cell->SetTimerState(0); // Reset timer_state // Set target volume to 0 (the cell will shrink) - cell->SetTargetCytoplasmSolid(0.0); - cell->SetTargetNucleusSolid(0.0); - cell->SetTargetFractionFluid(0.0); + cell->SetTargetCytoplasmSolid(0.0); + cell->SetTargetNucleusSolid(0.0); + cell->SetTargetFractionFluid(0.0); cell->SetTargetRelationCytoplasmNucleus(0.0); // Stop secretion and consumption rate // Stop consumption cell->SetOxygenConsumptionRate(0.0); // Stop secretion cell->SetImmunostimulatoryFactorSecretionRate(0.0); - // Update constants for all ConsumptionSecretion of Oxygen and Immunostimulatory Factors + // Update constants for all ConsumptionSecretion of Oxygen and + // Immunostimulatory Factors cell->ComputeConstantsConsumptionSecretion(); } break; } - case TumorCellState::kNecroticLysed:{//the cell is shirinking and will be removed after a certain time - cell->SetTimerState(cell->GetTimerState() + kDtCycle); // Increase timer_state to track time in this state (kDtCycle minutes per step) - //volume change - // The cell shrinks - cell->ChangeVolumeExponentialRelaxationEquation(kVolumeRelaxarionRateCytoplasmNecroticLysed, - kVolumeRelaxarionRateNucleusNecroticLysed, - kVolumeRelaxarionRateFluidNecroticLysed); - if (kTimeLysis < cell->GetTimerState()) { // If the timer_state exceeds the time to transition (this is a fixed duration transition) - //remove the cell from the simulation + case TumorCellState::kNecroticLysed: { // the cell is shirinking and will + // be removed after a certain time + cell->SetTimerState( + cell->GetTimerState() + + kDtCycle); // Increase timer_state to track time in this state + // (kDtCycle minutes per step) + // volume change + // The cell shrinks + cell->ChangeVolumeExponentialRelaxationEquation( + kVolumeRelaxarionRateCytoplasmNecroticLysed, + kVolumeRelaxarionRateNucleusNecroticLysed, + kVolumeRelaxarionRateFluidNecroticLysed); + if (kTimeLysis < + cell->GetTimerState()) { // If the timer_state exceeds the time to + // transition (this is a fixed duration + // transition) + // remove the cell from the simulation auto* ctxt = sim->GetExecutionContext(); ctxt->RemoveAgent(agent->GetUid()); } break; } - case TumorCellState::kApoptotic:{ - //CHANGE write this in the function that causes apoptosis - // //Stop Secretion and reduce consumption - // for (auto* beh : cell->GetAllBehaviors()) { - // if (auto* c = dynamic_cast(beh)) {c->SetQuantity(c->GetQuantity()*kReductionConsumptionDeadCells);}// Reduce consumption rate - // else if (auto* s = dynamic_cast(beh)) {s->SetQuantity(0);} // Stop secretion of immunostimulatory factor - // } - // cell->SetType(5); // Set type to 5 to indicate dead cell - - cell->SetTimerState(cell->GetTimerState() + kDtCycle); // Increase timer_state to track time in this state (kDtCycle minutes per step) - //volume change CHANGe check if it should indeed be reduced to 0 - // The cell shrinks - cell->ChangeVolumeExponentialRelaxationEquation(kVolumeRelaxarionRateCytoplasmApoptotic, - kVolumeRelaxarionRateNucleusApoptotic, - kVolumeRelaxarionRateFluidApoptotic); - if (kTimeApoptosis < cell->GetTimerState()) { // If the timer_state exceeds the time to transition (this is a fixed duration transition) - //remove the cell from the simulation + case TumorCellState::kApoptotic: { + // CHANGE write this in the function that causes apoptosis + // //Stop Secretion and reduce consumption + // for (auto* beh : cell->GetAllBehaviors()) { + // if (auto* c = dynamic_cast(beh)) + // {c->SetQuantity(c->GetQuantity()*kReductionConsumptionDeadCells);}// + // Reduce consumption rate else if (auto* s = + // dynamic_cast(beh)) + // {s->SetQuantity(0);} // Stop secretion of immunostimulatory + // factor + // } + // cell->SetType(5); // Set type to 5 to indicate dead cell + + cell->SetTimerState( + cell->GetTimerState() + + kDtCycle); // Increase timer_state to track time in this state + // (kDtCycle minutes per step) + // volume change CHANGe check if it should indeed be reduced to 0 + // The cell shrinks + cell->ChangeVolumeExponentialRelaxationEquation( + kVolumeRelaxarionRateCytoplasmApoptotic, + kVolumeRelaxarionRateNucleusApoptotic, + kVolumeRelaxarionRateFluidApoptotic); + if (kTimeApoptosis < + cell->GetTimerState()) { // If the timer_state exceeds the time to + // transition (this is a fixed duration + // transition) + // remove the cell from the simulation auto* ctxt = sim->GetExecutionContext(); ctxt->RemoveAgent(agent->GetUid()); } break; } - default:{ - Log::Error("StateControlGrowProliferate::Run", "Unknown TumorCellState"); + default: { + Log::Error("StateControlGrowProliferate::Run", + "Unknown TumorCellState"); break; } } } else { - Log::Error("StateControlGrowProliferate::Run", "SimObject is not a TumorCell"); + Log::Error("StateControlGrowProliferate::Run", + "SimObject is not a TumorCell"); } } // computes the probability of the cell entering necrosis -bool StateControlGrowProliferate::ShouldEnterNecrosis(real_t oxygen_level,TumorCell* cell) const { - //necrosis probability - real_t multiplier= 0.0; // Default multiplier for necrosis probability - - if (oxygen_level < kOxygenLimitForNecrosis){//oxygen threshold for considering necrosis - multiplier = (kOxygenLimitForNecrosis-oxygen_level)/(kOxygenLimitForNecrosis-kOxygenLimitForNecrosisMaximum); +bool StateControlGrowProliferate::ShouldEnterNecrosis(real_t oxygen_level, + TumorCell* cell) const { + // necrosis probability + real_t multiplier = 0.0; // Default multiplier for necrosis probability + + if (oxygen_level < + kOxygenLimitForNecrosis) { // oxygen threshold for considering necrosis + multiplier = (kOxygenLimitForNecrosis - oxygen_level) / + (kOxygenLimitForNecrosis - kOxygenLimitForNecrosisMaximum); } - if (oxygen_level < kOxygenLimitForNecrosisMaximum) {//threshold for maximum necrosis probability + if (oxygen_level < kOxygenLimitForNecrosisMaximum) { // threshold for maximum + // necrosis probability multiplier = 1.0; } - real_t probability_necrosis= kDtCycle //multiply by kDtCycle since each timestep is kDtCycle minutes - * kMaximumNecrosisRate * multiplier; // Calculate the probability of necrosis based on oxygen level + real_t probability_necrosis = + kDtCycle // multiply by kDtCycle since each timestep is kDtCycle minutes + * kMaximumNecrosisRate * multiplier; // Calculate the probability of + // necrosis based on oxygen level auto* sim = Simulation::GetActive(); auto* random = sim->GetRandom(); bool enter_necrosis = random->Uniform(0, 1) < probability_necrosis; - if(enter_necrosis){ // If the random number is less than the probability, enter necrosis - cell->SetState(TumorCellState::kNecroticSwelling); // If oxygen is too low, enter necrosis - cell->SetTimerState(0); // Reset timer_state - - //Stop Secretion and reduce consumption - // Stop secretion + if (enter_necrosis) { // If the random number is less than the probability, + // enter necrosis + cell->SetState(TumorCellState::kNecroticSwelling); // If oxygen is too low, + // enter necrosis + cell->SetTimerState(0); // Reset timer_state + + // Stop Secretion and reduce consumption + // Stop secretion cell->SetImmunostimulatoryFactorSecretionRate(0.0); // Reduce consumption - cell->SetOxygenConsumptionRate(cell->GetOxygenConsumptionRate()*kReductionConsumptionDeadCells); - // Update constants for all ConsumptionSecretion of Oxygen and Immunostimulatory Factors + cell->SetOxygenConsumptionRate(cell->GetOxygenConsumptionRate() * + kReductionConsumptionDeadCells); + // Update constants for all ConsumptionSecretion of Oxygen and + // Immunostimulatory Factors cell->ComputeConstantsConsumptionSecretion(); // The cell will swell getting filled with fluid cell->SetTargetCytoplasmSolid(0); cell->SetTargetNucleusSolid(0); - cell->SetTargetFractionFluid(1.0); // Set target fraction of fluid to 1.0 + cell->SetTargetFractionFluid(1.0); // Set target fraction of fluid to 1.0 cell->SetTargetRelationCytoplasmNucleus(0.0); - cell->SetType(5); // Set type to 5 to indicate dead cell + cell->SetType(5); // Set type to 5 to indicate dead cell } - return enter_necrosis; // Return whether the cell entered necrosis + return enter_necrosis; // Return whether the cell entered necrosis } } // namespace bdm \ No newline at end of file diff --git a/src/tumor_cell.h b/src/tumor_cell.h index f1bbb1b..8a0c87d 100644 --- a/src/tumor_cell.h +++ b/src/tumor_cell.h @@ -1,5 +1,6 @@ /* - * Copyright 2025 compiler-research.org, Salvador de la Torre Gonzalez, Luciana Melina Luque + * Copyright 2025 compiler-research.org, Salvador de la Torre Gonzalez, Luciana + * Melina Luque * * Licensed under the Apache License, Version 2.0 (the "License"); * you may not use this file except in compliance with the License. @@ -26,22 +27,28 @@ namespace bdm { /// Enumeration representing the different states of a tumor cell -/// -/// This enum class defines the various states a tumor cell can be in during its lifecycle, -/// and various death pathways (necrosis and apoptosis). +/// +/// This enum class defines the various states a tumor cell can be in during its +/// lifecycle, and various death pathways (necrosis and apoptosis). enum class TumorCellState : int { - kAlive=0,///< Living cell state - cell is alive and can potentially proliferate - - kNecroticSwelling = 1,///< Necrotic swelling phase: The cell loses membrane integrity and starts absorbing fluid, swelling abnormally, in volume before rupture. This is the first phase of necrotic cell death. - kNecroticLysed = 2,///< Necrotic lysed phase: The cell membrane breaks apart, releasing its contents. The cell will be removed from the simulation after a defined time. - - kApoptotic=3///< Apoptotic phase: The cell is undergoing programmed cell death characterized by cell shrinkage. This is a controlled form of cell death. + kAlive = 0, ///< Living cell state - cell is alive and can potentially proliferate + + kNecroticSwelling = 1, ///< Necrotic swelling phase: The cell loses membrane integrity and + ///< starts absorbing fluid, swelling abnormally, in volume before + ///< rupture. This is the first phase of necrotic cell death. + kNecroticLysed = 2, ///< Necrotic lysed phase: The cell membrane breaks + ///< apart, releasing its contents. The cell will be + ///< removed from the simulation after a defined time. + + kApoptotic = 3 ///< Apoptotic phase: The cell is undergoing programmed cell + ///< death characterized by cell shrinkage. This is a + ///< controlled form of cell death. }; /// Tumor cell class implementation -/// -/// This class represents a cancer cell that forms a heterogeneous tumor in the simulation. -/// The class includes capabilities for: +/// +/// This class represents a cancer cell that forms a heterogeneous tumor in the +/// simulation. The class includes capabilities for: /// - Different cellular states (alive, necrotic, apoptotic) /// - Volume dynamics with exponential relaxation /// - Cell division for tumor proliferation @@ -52,18 +59,18 @@ enum class TumorCellState : int { class TumorCell : public Cell { BDM_AGENT_HEADER(TumorCell, Cell, 1); - public: + public: TumorCell() {} - + explicit TumorCell(const Real3& position); - + virtual ~TumorCell() {} /// Called when a new agent is created (after cell division) /// @param event The new agent event containing initialization data void Initialize(const NewAgentEvent& event) override; - ///Getters and Setters + /// Getters and Setters void SetState(TumorCellState state) { state_ = state; } TumorCellState GetState() const { return state_; } @@ -71,28 +78,45 @@ class TumorCell : public Cell { int GetTimerState() const { return timer_state_; } void SetOncoproteineLevel(real_t level); - real_t GetOncoproteineLevel() const { return oncoproteine_level_; } + real_t GetOncoproteineLevel() const { return oncoproteine_level_; } - void SetFluidFraction(real_t fluid_fraction) { fluid_fraction_ = fluid_fraction; } + void SetFluidFraction(real_t fluid_fraction) { + fluid_fraction_ = fluid_fraction; + } real_t GetFluidFraction() const { return fluid_fraction_; } - void SetNuclearVolume(real_t nuclear_volume) { nuclear_volume_ = nuclear_volume; } + void SetNuclearVolume(real_t nuclear_volume) { + nuclear_volume_ = nuclear_volume; + } real_t GetNuclearVolume() const { return nuclear_volume_; } - void SetTargetCytoplasmSolid(real_t target_cytoplasm_solid) { target_cytoplasm_solid_ = target_cytoplasm_solid; } + void SetTargetCytoplasmSolid(real_t target_cytoplasm_solid) { + target_cytoplasm_solid_ = target_cytoplasm_solid; + } real_t GetTargetCytoplasmSolid() const { return target_cytoplasm_solid_; } - void SetTargetNucleusSolid(real_t target_nucleus_solid) { target_nucleus_solid_ = target_nucleus_solid; } - real_t GetTargetNucleusSolid() const { return target_nucleus_solid_; } + void SetTargetNucleusSolid(real_t target_nucleus_solid) { + target_nucleus_solid_ = target_nucleus_solid; + } + real_t GetTargetNucleusSolid() const { return target_nucleus_solid_; } - void SetTargetFractionFluid(real_t target_fraction_fluid) { target_fraction_fluid_ = target_fraction_fluid; } - real_t GetTargetFractionFluid() const { return target_fraction_fluid_; } + void SetTargetFractionFluid(real_t target_fraction_fluid) { + target_fraction_fluid_ = target_fraction_fluid; + } + real_t GetTargetFractionFluid() const { return target_fraction_fluid_; } - void SetTargetRelationCytoplasmNucleus(real_t target_relation_cytoplasm_nucleus) { target_relation_cytoplasm_nucleus_ = target_relation_cytoplasm_nucleus; } - real_t GetTargetRelationCytoplasmNucleus() const { return target_relation_cytoplasm_nucleus_; } + void SetTargetRelationCytoplasmNucleus( + real_t target_relation_cytoplasm_nucleus) { + target_relation_cytoplasm_nucleus_ = target_relation_cytoplasm_nucleus; + } + real_t GetTargetRelationCytoplasmNucleus() const { + return target_relation_cytoplasm_nucleus_; + } void SetTransformationRandomRate(); - real_t GetTransformationRandomRate() const { return transformation_random_rate_; } + real_t GetTransformationRandomRate() const { + return transformation_random_rate_; + } void SetAttachedToCart(bool attached) { attached_to_cart_ = attached; } bool IsAttachedToCart() const { return attached_to_cart_; } @@ -104,34 +128,46 @@ class TumorCell : public Cell { void SetOlderVelocity(const Real3& velocity) { older_velocity_ = velocity; } real_t GetOxygenConsumptionRate() const { return oxygen_consumption_rate_; } - void SetOxygenConsumptionRate(real_t rate) { oxygen_consumption_rate_ = rate; } + void SetOxygenConsumptionRate(real_t rate) { + oxygen_consumption_rate_ = rate; + } - real_t GetImmunostimulatoryFactorSecretionRate() const { return immunostimulatory_factor_secretion_rate_; } - void SetImmunostimulatoryFactorSecretionRate(real_t rate) { immunostimulatory_factor_secretion_rate_ = rate; } + real_t GetImmunostimulatoryFactorSecretionRate() const { + return immunostimulatory_factor_secretion_rate_; + } + void SetImmunostimulatoryFactorSecretionRate(real_t rate) { + immunostimulatory_factor_secretion_rate_ = rate; + } real_t GetTargetTotalVolume() const; /// Returns the diffusion grid for oxygen DiffusionGrid* GetOxygenDiffusionGrid() const { return oxygen_dgrid_; } /// Returns the diffusion grid for immunostimulatory factors - DiffusionGrid* GetImmunostimulatoryFactorDiffusionGrid() const { return immunostimulatory_factor_dgrid_; } + DiffusionGrid* GetImmunostimulatoryFactorDiffusionGrid() const { + return immunostimulatory_factor_dgrid_; + } /// Change volume using exponential relaxation equation - /// - /// This method explicitly solves the system of exponential relaxation differential - /// equations using a discrete update step. It is used to grow or shrink the volume - /// (and proportions) smoothly toward a desired target volume over time. The relaxation - /// rate controls the speed of convergence and dt=1 (the time_step). - /// - /// @param relaxation_rate_cytoplasm Relaxation rate for cytoplasm volume changes + /// + /// This method explicitly solves the system of exponential relaxation + /// differential equations using a discrete update step. It is used to grow or + /// shrink the volume (and proportions) smoothly toward a desired target + /// volume over time. The relaxation rate controls the speed of convergence + /// and dt=1 (the time_step). + /// + /// @param relaxation_rate_cytoplasm Relaxation rate for cytoplasm volume + /// changes /// @param relaxation_rate_nucleus Relaxation rate for nucleus volume changes /// @param relaxation_rate_fluid Relaxation rate for fluid volume changes - void ChangeVolumeExponentialRelaxationEquation(real_t relaxation_rate_cytoplasm, real_t relaxation_rate_nucleus, real_t relaxation_rate_fluid); + void ChangeVolumeExponentialRelaxationEquation( + real_t relaxation_rate_cytoplasm, real_t relaxation_rate_nucleus, + real_t relaxation_rate_fluid); /// Calculate displacement of the cell - /// + /// /// Computes the displacement of the cell based on interaction forces. - /// + /// /// @param force Pointer to the interaction force object /// @param squared_radius The squared radius of the cell /// @param dt The time step for the simulation @@ -140,119 +176,122 @@ class TumorCell : public Cell { real_t squared_radius, real_t dt) override; /// Consume or secrete substances - /// + /// /// Computes new oxygen or immunostimulatory factor concentration after /// consumption or secretion by the cell. - /// - /// @param substance_id The ID of the substance (oxygen or immunostimulatory factor) + /// + /// @param substance_id The ID of the substance (oxygen or immunostimulatory + /// factor) /// @param old_concentration The previous concentration of the substance /// @return The new concentration after consumption/secretion real_t ConsumeSecreteSubstance(int substance_id, real_t old_concentration); /// Compute constants for consumption and secretion - /// + /// /// Updates constants after the cell's change of volume or quantities. - /// These constants are used in the consumption/secretion differential equations. + /// These constants are used in the consumption/secretion differential + /// equations. void ComputeConstantsConsumptionSecretion(); private: /// Current state of the tumor cell TumorCellState state_; - + /// Timer to track time in the current state (in minutes) int timer_state_; - + /// Pointer to the oxygen diffusion grid DiffusionGrid* oxygen_dgrid_; - + /// Pointer to the immunostimulatory factor diffusion grid DiffusionGrid* immunostimulatory_factor_dgrid_; - + /// Level of oncoprotein expression real_t oncoproteine_level_; - + /// Transition random rate between states: - /// Affects the probability of transitioning and depends on the individual cell. - /// This rate is kept constant during the cell's lifetime. + /// Affects the probability of transitioning and depends on the individual + /// cell. This rate is kept constant during the cell's lifetime. real_t transformation_random_rate_; - + /// Flag indicating if the cell is attached to a CAR-T cell bool attached_to_cart_; - + /// Fluid fraction of the cell volume real_t fluid_fraction_; - + /// Volume of the nucleus real_t nuclear_volume_; - + /// Target cytoplasm solid volume for exponential relaxation - /// + /// /// Used for growing or shrinking tumor cells. The volume change follows /// an exponential relaxation equation toward this target volume. real_t target_cytoplasm_solid_; - + /// Target nucleus solid volume for exponential relaxation real_t target_nucleus_solid_; - + /// Target fluid fraction for exponential relaxation real_t target_fraction_fluid_; - + /// Target relation between cytoplasm and nucleus volumes real_t target_relation_cytoplasm_nucleus_; - + /// Cell type according to oncoprotein level: - /// Types 1-4: 1 is the most mutated and proliferative type, 4 is the least aggressive. - /// Type 5 means the cell is dead. + /// Types 1-4: 1 is the most mutated and proliferative type, 4 is the least + /// aggressive. Type 5 means the cell is dead. int type_; - + /// Velocity of the cell in the previous time step Real3 older_velocity_; - + /// Rate of oxygen consumption by the cell real_t oxygen_consumption_rate_; - + /// Rate of immunostimulatory factor secretion by the cell real_t immunostimulatory_factor_secretion_rate_; - + /// Constant 1 for oxygen consumption/secretion differential equation solution real_t constant1_oxygen_; - + /// Constant 2 for oxygen consumption/secretion differential equation solution real_t constant2_oxygen_; - - /// Constant 1 for immunostimulatory factor consumption/secretion differential equation solution + + /// Constant 1 for immunostimulatory factor consumption/secretion differential + /// equation solution real_t constant1_immunostimulatory_factor_; - - /// Constant 2 for immunostimulatory factor consumption/secretion differential equation solution + + /// Constant 2 for immunostimulatory factor consumption/secretion differential + /// equation solution real_t constant2_immunostimulatory_factor_; - }; /// Behavior class for controlling tumor cell state transitions and growth -/// +/// /// This behavior handles the state control logic for tumor cells, managing /// transitions between different cell states, growth, proliferation, and death -/// processes. It includes logic for determining when cells should enter necrosis -/// based on oxygen levels and other environmental factors. +/// processes. It includes logic for determining when cells should enter +/// necrosis based on oxygen levels and other environmental factors. struct StateControlGrowProliferate : public Behavior { BDM_BEHAVIOR_HEADER(StateControlGrowProliferate, Behavior, 1); StateControlGrowProliferate() { AlwaysCopyToNew(); } - + virtual ~StateControlGrowProliferate() {} /// Execute the state control and growth behavior void Run(Agent* agent) override; - private: + private: /// Compute the probability of the cell entering necrosis - /// + /// /// Determines whether a cell should enter necrosis based on oxygen levels - /// + /// /// @param oxygen_level Current oxygen concentration at the cell's location /// @param cell Pointer to the tumor cell being evaluated /// @return True if the cell should enter necrosis, false otherwise - bool ShouldEnterNecrosis(real_t oxygen_level,TumorCell* cell) const; + bool ShouldEnterNecrosis(real_t oxygen_level, TumorCell* cell) const; }; } // namespace bdm diff --git a/src/utils_aux.cc b/src/utils_aux.cc index 7cae589..3d70f30 100644 --- a/src/utils_aux.cc +++ b/src/utils_aux.cc @@ -1,5 +1,6 @@ /* - * Copyright 2025 compiler-research.org, Salvador de la Torre Gonzalez, Luciana Melina Luque + * Copyright 2025 compiler-research.org, Salvador de la Torre Gonzalez, Luciana + * Melina Luque * * Licensed under the Apache License, Version 2.0 (the "License"); * you may not use this file except in compliance with the License. @@ -18,58 +19,62 @@ * for the compiler-research.org organization. */ #include "utils_aux.h" -#include "hyperparams.h" #include "core/util/random.h" +#include "hyperparams.h" #include "tumor_cell.h" namespace bdm { -// Samples a Gaussian value with given mean and standard deviation but all negative values are mapped to zero +// Samples a Gaussian value with given mean and standard deviation but all +// negative values are mapped to zero real_t SamplePositiveGaussian(float mean, float sigma) { auto* random = Simulation::GetActive()->GetRandom(); real_t value = random->Gaus(mean, sigma); - if(value < 0.) {value = 0.;} + if (value < 0.) { + value = 0.; + } return value; } - std::vector CreateSphereOfTumorCells(real_t sphere_radius) { - // V = (4/3)*pi*r^3 = (pi/6)*diameter^3 - real_t cell_radius = std::cbrt(kDefaultVolumeNewTumorCell * 6 / Math::kPi)/2; - - std::vector positions; - - // Hexagonal close-packing spacing - real_t spacing_x = cell_radius * std::sqrt(3.0); - real_t spacing_y = cell_radius * 2.0; - real_t spacing_z = cell_radius * std::sqrt(3.0); - - int zc = 0; - for (real_t z = -sphere_radius; z < sphere_radius; z += spacing_z, ++zc) { - int xc = 0; - for (real_t x = -sphere_radius; x < sphere_radius; x += spacing_x, ++xc) { - int yc = 0; - for (real_t y = -sphere_radius; y < sphere_radius; y += spacing_y, ++yc) { - - // Compute cell center with HCP offset - real_t px = x + (zc % 2) * 0.5 * cell_radius; - real_t py = y + (xc % 2) * cell_radius; - real_t pz = z; - - real_t dist = std::sqrt(px * px + py * py + pz * pz); - - if (dist <= sphere_radius) { - positions.push_back({px, py, pz}); - } - } + // V = (4/3)*pi*r^3 = (pi/6)*diameter^3 + real_t cell_radius = + std::cbrt(kDefaultVolumeNewTumorCell * 6 / Math::kPi) / 2; + + std::vector positions; + + // Hexagonal close-packing spacing + real_t spacing_x = cell_radius * std::sqrt(3.0); + real_t spacing_y = cell_radius * 2.0; + real_t spacing_z = cell_radius * std::sqrt(3.0); + + int zc = 0; + for (real_t z = -sphere_radius; z < sphere_radius; z += spacing_z, ++zc) { + int xc = 0; + for (real_t x = -sphere_radius; x < sphere_radius; x += spacing_x, ++xc) { + int yc = 0; + for (real_t y = -sphere_radius; y < sphere_radius; y += spacing_y, ++yc) { + // Compute cell center with HCP offset + real_t px = x + (zc % 2) * 0.5 * cell_radius; + real_t py = y + (xc % 2) * cell_radius; + real_t pz = z; + + real_t dist = std::sqrt(px * px + py * py + pz * pz); + + if (dist <= sphere_radius) { + positions.push_back({px, py, pz}); } + } } + } - return positions; + return positions; } -//Function to compute the number of tumor cells of each type and the radius of the tumor -std::tuple ComputeNumberTumorCellsAndRadius() { +// Function to compute the number of tumor cells of each type and the radius of +// the tumor +std::tuple +ComputeNumberTumorCellsAndRadius() { auto* rm = Simulation::GetActive()->GetResourceManager(); size_t total_num_tumor_cells = 0; size_t num_tumor_cells_type1 = 0; @@ -84,23 +89,37 @@ std::tuple ComputeNumber if (auto* tumor_cell = dynamic_cast(agent)) { total_num_tumor_cells++; const auto& pos = agent->GetPosition(); - real_t dist_sq = pos[0]*pos[0] + pos[1]*pos[1] + pos[2]*pos[2]; + real_t dist_sq = pos[0] * pos[0] + pos[1] * pos[1] + pos[2] * pos[2]; if (dist_sq > max_dist_sq) { max_dist_sq = dist_sq; } // Count tumor cells by type switch (tumor_cell->GetType()) { - case 1: num_tumor_cells_type1++; break; - case 2: num_tumor_cells_type2++; break; - case 3: num_tumor_cells_type3++; break; - case 4: num_tumor_cells_type4++; break; - case 5: num_tumor_cells_type5_dead++; break; - default: break; + case 1: + num_tumor_cells_type1++; + break; + case 2: + num_tumor_cells_type2++; + break; + case 3: + num_tumor_cells_type3++; + break; + case 4: + num_tumor_cells_type4++; + break; + case 5: + num_tumor_cells_type5_dead++; + break; + default: + break; } } }); - return {total_num_tumor_cells, num_tumor_cells_type1, num_tumor_cells_type2, num_tumor_cells_type3, num_tumor_cells_type4, num_tumor_cells_type5_dead, std::sqrt(max_dist_sq)}; + return {total_num_tumor_cells, num_tumor_cells_type1, + num_tumor_cells_type2, num_tumor_cells_type3, + num_tumor_cells_type4, num_tumor_cells_type5_dead, + std::sqrt(max_dist_sq)}; } // Function to output summary CSV @@ -112,31 +131,40 @@ void OutputSummary::operator()() { std::ofstream file("output/final_data.csv", std::ios::app); if (file.is_open()) { if (current_step == 0) { - file << "total_days,total_hours,total_minutes,tumor_radius,num_cells,num_tumor_cells,tumor_cells_type1,tumor_cells_type2,tumor_cells_type3,tumor_cells_type4,tumor_cells_type5_dead\n";// Header for CSV file + file + << "total_days,total_hours,total_minutes,tumor_radius,num_cells," + "num_tumor_cells,tumor_cells_type1,tumor_cells_type2,tumor_" + "cells_type3,tumor_cells_type4,tumor_cells_type5_dead\n"; // Header + // for + // CSV + // file } // Calculate time in days, hours, minutes - double total_minutes = Simulation::GetActive()->GetScheduler()->GetSimulatedTime(); + double total_minutes = + Simulation::GetActive()->GetScheduler()->GetSimulatedTime(); double total_hours = total_minutes / 60.0; double total_days = total_hours / 24.0; // Count total cells, tumor cells of each type and tumor radius size_t total_num_tumor_cells; - size_t num_tumor_cells_type1, num_tumor_cells_type2, num_tumor_cells_type3, num_tumor_cells_type4, num_tumor_cells_type5_dead; + size_t num_tumor_cells_type1, num_tumor_cells_type2, + num_tumor_cells_type3, num_tumor_cells_type4, + num_tumor_cells_type5_dead; real_t tumor_radius; - std::tie(total_num_tumor_cells, num_tumor_cells_type1, num_tumor_cells_type2, num_tumor_cells_type3, num_tumor_cells_type4, num_tumor_cells_type5_dead, tumor_radius) = ComputeNumberTumorCellsAndRadius(); + std::tie(total_num_tumor_cells, num_tumor_cells_type1, + num_tumor_cells_type2, num_tumor_cells_type3, + num_tumor_cells_type4, num_tumor_cells_type5_dead, + tumor_radius) = ComputeNumberTumorCellsAndRadius(); // Write data to CSV file - file << total_days << "," - << total_hours << "," - << total_minutes << "," - << tumor_radius << "," - << Simulation::GetActive()->GetResourceManager()->GetNumAgents() << ","//number of cells - << total_num_tumor_cells << "," - << num_tumor_cells_type1 << "," - << num_tumor_cells_type2 << "," - << num_tumor_cells_type3 << "," - << num_tumor_cells_type4 << "," - << num_tumor_cells_type5_dead << "\n"; + file << total_days << "," << total_hours << "," << total_minutes << "," + << tumor_radius << "," + << Simulation::GetActive()->GetResourceManager()->GetNumAgents() + << "," // number of cells + << total_num_tumor_cells << "," << num_tumor_cells_type1 << "," + << num_tumor_cells_type2 << "," << num_tumor_cells_type3 << "," + << num_tumor_cells_type4 << "," << num_tumor_cells_type5_dead + << "\n"; } } } diff --git a/src/utils_aux.h b/src/utils_aux.h index da75090..5908ff3 100644 --- a/src/utils_aux.h +++ b/src/utils_aux.h @@ -1,5 +1,6 @@ /* - * Copyright 2025 compiler-research.org, Salvador de la Torre Gonzalez, Luciana Melina Luque + * Copyright 2025 compiler-research.org, Salvador de la Torre Gonzalez, Luciana + * Melina Luque * * Licensed under the Apache License, Version 2.0 (the "License"); * you may not use this file except in compliance with the License. @@ -24,66 +25,68 @@ #include "biodynamo.h" namespace bdm { - /// Forward declaration of TumorCell class - class TumorCell; +/// Forward declaration of TumorCell class +class TumorCell; - /// Sample a positive Gaussian value - /// - /// Samples a Gaussian value with given mean and standard deviation. - /// All negative values are mapped to zero to ensure positive results. - /// - /// @param mean Mean value of the Gaussian distribution - /// @param sigma Standard deviation of the Gaussian distribution - /// @return Sampled positive value (negative values mapped to zero) - real_t SamplePositiveGaussian(float mean, float sigma); +/// Sample a positive Gaussian value +/// +/// Samples a Gaussian value with given mean and standard deviation. +/// All negative values are mapped to zero to ensure positive results. +/// +/// @param mean Mean value of the Gaussian distribution +/// @param sigma Standard deviation of the Gaussian distribution +/// @return Sampled positive value (negative values mapped to zero) +real_t SamplePositiveGaussian(float mean, float sigma); - /// Create a spherical arrangement of tumor cells - /// - /// Generates a vector of 3D positions for tumor cells arranged in a spherical - /// pattern with the specified radius. The cells are positioned to form a - /// forces-stable structure. The achieved tumor mimics a heterogeneous organoid thanks - /// to the different cancer cell types that can be randomly generated - /// - /// @param sphere_radius Radius of the spherical tumor in micrometers - /// @return Vector of 3D positions where tumor cells should be placed - std::vector CreateSphereOfTumorCells(real_t sphere_radius); +/// Create a spherical arrangement of tumor cells +/// +/// Generates a vector of 3D positions for tumor cells arranged in a spherical +/// pattern with the specified radius. The cells are positioned to form a +/// forces-stable structure. The achieved tumor mimics a heterogeneous organoid +/// thanks to the different cancer cell types that can be randomly generated +/// +/// @param sphere_radius Radius of the spherical tumor in micrometers +/// @return Vector of 3D positions where tumor cells should be placed +std::vector CreateSphereOfTumorCells(real_t sphere_radius); - /// Compute tumor statistics and characteristics - /// - /// Analyzes the current tumor population to compute the number of tumor cells - /// of each type and the overall radius of the tumor mass. - /// - /// @return Tuple containing: - /// - Number of type 1 tumor cells (most aggressive) - /// - Number of type 2 tumor cells - /// - Number of type 3 tumor cells - /// - Number of type 4 tumor cells (least aggressive) - /// - Number of type 5 tumor cells (dead) - /// - Total number of tumor cells - /// - Current tumor radius in micrometers - std::tuple ComputeNumberTumorCellsAndRadius(); +/// Compute tumor statistics and characteristics +/// +/// Analyzes the current tumor population to compute the number of tumor cells +/// of each type and the overall radius of the tumor mass. +/// +/// @return Tuple containing: +/// - Number of type 1 tumor cells (most aggressive) +/// - Number of type 2 tumor cells +/// - Number of type 3 tumor cells +/// - Number of type 4 tumor cells (least aggressive) +/// - Number of type 5 tumor cells (dead) +/// - Total number of tumor cells +/// - Current tumor radius in micrometers +std::tuple +ComputeNumberTumorCellsAndRadius(); - /// Operation for outputting simulation summary data to CSV files - /// - /// This operation collects and outputs summary statistics about the simulation - /// state to CSV files for post-processing and analysis. It includes information - /// about cell populations, tumor characteristics, and other relevant metrics. - struct OutputSummary : public StandaloneOperationImpl { - BDM_OP_HEADER(OutputSummary); +/// Operation for outputting simulation summary data to CSV files +/// +/// This operation collects and outputs summary statistics about the simulation +/// state to CSV files for post-processing and analysis. It includes information +/// about cell populations, tumor characteristics, and other relevant metrics. +struct OutputSummary : public StandaloneOperationImpl { + BDM_OP_HEADER(OutputSummary); - /// Frequency of output (every N simulation steps) - uint64_t frequency_ = 1; + /// Frequency of output (every N simulation steps) + uint64_t frequency_ = 1; - /// Collects current simulation data and writes it to CSV files - /// - /// Called automatically by the simulation scheduler at the specified frequency. - /// Gathers statistics about cell populations, tumor radius, and other metrics, - /// then outputs them to appropriately named CSV files for analysis. - void operator()() override; - }; + /// Collects current simulation data and writes it to CSV files + /// + /// Called automatically by the simulation scheduler at the specified + /// frequency. Gathers statistics about cell populations, tumor radius, and + /// other metrics, then outputs them to appropriately named CSV files for + /// analysis. + void operator()() override; +}; - /// Register OutputSummary operation with CPU as compute target - inline BDM_REGISTER_OP(OutputSummary, "OutputSummary", kCpu); +/// Register OutputSummary operation with CPU as compute target +inline BDM_REGISTER_OP(OutputSummary, "OutputSummary", kCpu); } // namespace bdm From e9fe58804493e8535b15abd765c968d77ec99ab5 Mon Sep 17 00:00:00 2001 From: salva24 Date: Fri, 22 Aug 2025 17:18:37 +0200 Subject: [PATCH 18/47] formated --- src/diffusion_thomas_algorithm.h | 10 +++++----- src/forces_tumor_cart.cc | 2 +- src/tumor_cell.h | 10 ++++++---- 3 files changed, 12 insertions(+), 10 deletions(-) diff --git a/src/diffusion_thomas_algorithm.h b/src/diffusion_thomas_algorithm.h index 708b79b..b1ea0fd 100644 --- a/src/diffusion_thomas_algorithm.h +++ b/src/diffusion_thomas_algorithm.h @@ -48,11 +48,11 @@ class DiffusionThomasAlgorithm : public DiffusionGrid { /// These methods are overridden but empty because they are not used. /// This should be fixed in future versions of BioDynaMo. - void DiffuseWithClosedEdge(real_t dt) override{}; - void DiffuseWithOpenEdge(real_t dt) override{}; - void DiffuseWithNeumann(real_t dt) override{}; - void DiffuseWithPeriodic(real_t dt) override{}; - void DiffuseWithDirichlet(real_t dt) override{}; + void DiffuseWithClosedEdge(real_t dt) override {}; + void DiffuseWithOpenEdge(real_t dt) override {}; + void DiffuseWithNeumann(real_t dt) override {}; + void DiffuseWithPeriodic(real_t dt) override {}; + void DiffuseWithDirichlet(real_t dt) override {}; /// Perform chemical diffusion using Thomas algorithm /// diff --git a/src/forces_tumor_cart.cc b/src/forces_tumor_cart.cc index e7c3e46..3fee2e6 100644 --- a/src/forces_tumor_cart.cc +++ b/src/forces_tumor_cart.cc @@ -76,7 +76,7 @@ Real4 InteractionVelocity::Calculate(const Agent* lhs, const Agent* rhs) const { if (a_tumor && b_tumor) { // two tumor cells repulsion = kRepulsionTumorTumor; // std::sqrt(kRepulsionTumorTumor * // kRepulsionTumorTumor); - } else if (!a_tumor && !b_tumor) { // two CAR-T cells + } else if (!a_tumor && !b_tumor) { // two CAR-T cells repulsion = kRepulsionCartCart; // std::sqrt(kRepulsionCartCart*kRepulsionCartCart); } else { // one tumor cell and one CAR-T diff --git a/src/tumor_cell.h b/src/tumor_cell.h index 8a0c87d..c060dc5 100644 --- a/src/tumor_cell.h +++ b/src/tumor_cell.h @@ -31,11 +31,13 @@ namespace bdm { /// This enum class defines the various states a tumor cell can be in during its /// lifecycle, and various death pathways (necrosis and apoptosis). enum class TumorCellState : int { - kAlive = 0, ///< Living cell state - cell is alive and can potentially proliferate + kAlive = + 0, ///< Living cell state - cell is alive and can potentially proliferate - kNecroticSwelling = 1, ///< Necrotic swelling phase: The cell loses membrane integrity and - ///< starts absorbing fluid, swelling abnormally, in volume before - ///< rupture. This is the first phase of necrotic cell death. + kNecroticSwelling = + 1, ///< Necrotic swelling phase: The cell loses membrane integrity and + ///< starts absorbing fluid, swelling abnormally, in volume before + ///< rupture. This is the first phase of necrotic cell death. kNecroticLysed = 2, ///< Necrotic lysed phase: The cell membrane breaks ///< apart, releasing its contents. The cell will be ///< removed from the simulation after a defined time. From debccdfcf4c1aa41aa26822959dc2a6d2d98d785 Mon Sep 17 00:00:00 2001 From: salva24 Date: Fri, 22 Aug 2025 17:45:51 +0200 Subject: [PATCH 19/47] more clang tidy comments --- src/cart_cell.cc | 3 ++- 1 file changed, 2 insertions(+), 1 deletion(-) diff --git a/src/cart_cell.cc b/src/cart_cell.cc index 24a7fa2..482bab9 100644 --- a/src/cart_cell.cc +++ b/src/cart_cell.cc @@ -25,6 +25,7 @@ #include "core/interaction_force.h" #include "core/real_t.h" #include "core/resource_manager.h" +#include "core/functor.h" #include "hyperparams.h" #include "tumor_cell.h" #include "utils_aux.h" @@ -173,7 +174,7 @@ Real3 CartCell::CalculateDisplacement(const InteractionForce* force, if (!IsStatic()) { auto* ctxt = Simulation::GetActive()->GetExecutionContext(); auto calculate_neighbor_forces = - L2F([&](Agent* neighbor, real_t squared_distance) { + L2F([&](Agent* neighbor, real_t /*squared_distance*/) { auto neighbor_force = force->Calculate(this, neighbor); if (neighbor_force[0] != 0 || neighbor_force[1] != 0 || neighbor_force[2] != 0) { From 611b78df1acfd4077239c5149757dd77eef8c215 Mon Sep 17 00:00:00 2001 From: =?UTF-8?q?Salvador=20de=20la=20Torre=20Gonz=C3=A1lez?= <91910656+salva24@users.noreply.github.com> Date: Fri, 22 Aug 2025 17:56:51 +0200 Subject: [PATCH 20/47] Update src/cart_cell.cc Co-authored-by: github-actions[bot] <41898282+github-actions[bot]@users.noreply.github.com> --- src/cart_cell.cc | 7 +++++++ 1 file changed, 7 insertions(+) diff --git a/src/cart_cell.cc b/src/cart_cell.cc index 482bab9..c090248 100644 --- a/src/cart_cell.cc +++ b/src/cart_cell.cc @@ -28,7 +28,14 @@ #include "core/functor.h" #include "hyperparams.h" #include "tumor_cell.h" +#include "core/container/math_array.h" +#include "core/interaction_force.h" +#include "core/real_t.h" +#include "core/resource_manager.h" +#include "hyperparams.h" +#include "tumor_cell.h" #include "utils_aux.h" +#include namespace bdm { From 34e11efc25fb9cf095e75264a32c5ee5adcfe4e2 Mon Sep 17 00:00:00 2001 From: =?UTF-8?q?Salvador=20de=20la=20Torre=20Gonz=C3=A1lez?= <91910656+salva24@users.noreply.github.com> Date: Fri, 22 Aug 2025 17:57:08 +0200 Subject: [PATCH 21/47] Update src/cart_cell.cc Co-authored-by: github-actions[bot] <41898282+github-actions[bot]@users.noreply.github.com> --- src/cart_cell.cc | 1 + 1 file changed, 1 insertion(+) diff --git a/src/cart_cell.cc b/src/cart_cell.cc index c090248..33b1f1b 100644 --- a/src/cart_cell.cc +++ b/src/cart_cell.cc @@ -22,6 +22,7 @@ #include "cart_cell.h" #include #include "core/container/math_array.h" +#include "core/functor.h" #include "core/interaction_force.h" #include "core/real_t.h" #include "core/resource_manager.h" From 71de3096883f1b6888c3c3cff0acf4f398e19862 Mon Sep 17 00:00:00 2001 From: salva24 Date: Fri, 22 Aug 2025 18:02:29 +0200 Subject: [PATCH 22/47] more tidy --- src/cart_cell.cc | 2 ++ 1 file changed, 2 insertions(+) diff --git a/src/cart_cell.cc b/src/cart_cell.cc index 482bab9..75d1b5e 100644 --- a/src/cart_cell.cc +++ b/src/cart_cell.cc @@ -21,6 +21,8 @@ #include "cart_cell.h" #include +#include +#include #include "core/container/math_array.h" #include "core/interaction_force.h" #include "core/real_t.h" From 6ecf5d1c6fe68b36697a70bdcbc348c8ec6bdd79 Mon Sep 17 00:00:00 2001 From: salva24 Date: Fri, 22 Aug 2025 19:27:02 +0200 Subject: [PATCH 23/47] includes cleaned --- src/cart_cell.cc | 18 +++--------------- src/cart_tumor.cc | 4 +++- src/diffusion_thomas_algorithm.cc | 5 +++-- src/diffusion_thomas_algorithm.h | 4 +++- src/forces_tumor_cart.cc | 3 ++- src/hyperparams.h | 6 ++---- src/tumor_cell.cc | 4 ++++ src/utils_aux.cc | 6 +++++- src/utils_aux.h | 3 +++ 9 files changed, 28 insertions(+), 25 deletions(-) diff --git a/src/cart_cell.cc b/src/cart_cell.cc index f31588b..b277fa1 100644 --- a/src/cart_cell.cc +++ b/src/cart_cell.cc @@ -20,25 +20,13 @@ */ #include "cart_cell.h" -#include -#include -#include -#include "core/container/math_array.h" -#include "core/functor.h" -#include "core/interaction_force.h" -#include "core/real_t.h" -#include "core/resource_manager.h" -#include "core/functor.h" -#include "hyperparams.h" -#include "tumor_cell.h" -#include "core/container/math_array.h" -#include "core/interaction_force.h" -#include "core/real_t.h" -#include "core/resource_manager.h" #include "hyperparams.h" #include "tumor_cell.h" #include "utils_aux.h" +#include #include +#include +#include namespace bdm { diff --git a/src/cart_tumor.cc b/src/cart_tumor.cc index 4ab6900..35c5fdc 100644 --- a/src/cart_tumor.cc +++ b/src/cart_tumor.cc @@ -19,7 +19,9 @@ * for the compiler-research.org organization. */ #include "cart_tumor.h" -#include "cart_cell.h" +#include +#include +#include #include "core/environment/uniform_grid_environment.h" #include "core/operation/mechanical_forces_op.h" #include "diffusion_thomas_algorithm.h" diff --git a/src/diffusion_thomas_algorithm.cc b/src/diffusion_thomas_algorithm.cc index 57373ea..39fbf32 100644 --- a/src/diffusion_thomas_algorithm.cc +++ b/src/diffusion_thomas_algorithm.cc @@ -20,10 +20,11 @@ */ #include "diffusion_thomas_algorithm.h" #include "cart_cell.h" -#include "core/resource_manager.h" -#include "core/simulation.h" #include "hyperparams.h" #include "tumor_cell.h" +#include +#include +#include namespace bdm { diff --git a/src/diffusion_thomas_algorithm.h b/src/diffusion_thomas_algorithm.h index b1ea0fd..52a6d1a 100644 --- a/src/diffusion_thomas_algorithm.h +++ b/src/diffusion_thomas_algorithm.h @@ -22,8 +22,10 @@ #ifndef DIFFUSION_THOMAS_ALGORITHM_H_ #define DIFFUSION_THOMAS_ALGORITHM_H_ -#include +#include "biodynamo.h" #include "core/diffusion/diffusion_grid.h" +#include +#include namespace bdm { diff --git a/src/forces_tumor_cart.cc b/src/forces_tumor_cart.cc index 3fee2e6..809e06e 100644 --- a/src/forces_tumor_cart.cc +++ b/src/forces_tumor_cart.cc @@ -20,10 +20,11 @@ */ #include "forces_tumor_cart.h" -#include "core/operation/mechanical_forces_op.h" #include "hyperparams.h" #include "tumor_cell.h" #include "utils_aux.h" +#include +#include namespace bdm { diff --git a/src/hyperparams.h b/src/hyperparams.h index 2b70a33..b5e6835 100644 --- a/src/hyperparams.h +++ b/src/hyperparams.h @@ -22,10 +22,8 @@ #ifndef TUMOR_HYPERPARAMS_H_ #define TUMOR_HYPERPARAMS_H_ -#include "core/real_t.h" - -#include -#include +#include "biodynamo.h" +#include namespace bdm { diff --git a/src/tumor_cell.cc b/src/tumor_cell.cc index 703eb3f..d1ea6dd 100644 --- a/src/tumor_cell.cc +++ b/src/tumor_cell.cc @@ -18,9 +18,13 @@ * This file contains a model developed under Google Summer of Code (GSoC) * for the compiler-research.org organization. */ + #include "tumor_cell.h" #include "hyperparams.h" #include "utils_aux.h" +#include +#include +#include namespace bdm { diff --git a/src/utils_aux.cc b/src/utils_aux.cc index 3d70f30..ea2c30e 100644 --- a/src/utils_aux.cc +++ b/src/utils_aux.cc @@ -18,10 +18,14 @@ * This file contains a model developed under Google Summer of Code (GSoC) * for the compiler-research.org organization. */ + #include "utils_aux.h" -#include "core/util/random.h" #include "hyperparams.h" #include "tumor_cell.h" +#include +#include +#include +#include namespace bdm { diff --git a/src/utils_aux.h b/src/utils_aux.h index 5908ff3..1455217 100644 --- a/src/utils_aux.h +++ b/src/utils_aux.h @@ -23,6 +23,9 @@ #define CORE_UTIL_UTILS_AUX_H_ #include "biodynamo.h" +#include +#include +#include namespace bdm { /// Forward declaration of TumorCell class From a70137dda56e41d02e43e6340fee8788a90d3575 Mon Sep 17 00:00:00 2001 From: salva24 Date: Fri, 22 Aug 2025 19:34:40 +0200 Subject: [PATCH 24/47] includes order for clang format --- src/cart_cell.cc | 6 +++--- src/diffusion_thomas_algorithm.cc | 6 +++--- src/diffusion_thomas_algorithm.h | 4 ++-- src/forces_tumor_cart.cc | 4 ++-- src/hyperparams.h | 2 +- src/tumor_cell.cc | 4 ++-- src/utils_aux.cc | 4 ++-- src/utils_aux.h | 2 +- 8 files changed, 16 insertions(+), 16 deletions(-) diff --git a/src/cart_cell.cc b/src/cart_cell.cc index b277fa1..d5ce7df 100644 --- a/src/cart_cell.cc +++ b/src/cart_cell.cc @@ -20,13 +20,13 @@ */ #include "cart_cell.h" -#include "hyperparams.h" -#include "tumor_cell.h" -#include "utils_aux.h" #include #include #include #include +#include "hyperparams.h" +#include "tumor_cell.h" +#include "utils_aux.h" namespace bdm { diff --git a/src/diffusion_thomas_algorithm.cc b/src/diffusion_thomas_algorithm.cc index 39fbf32..3f48f55 100644 --- a/src/diffusion_thomas_algorithm.cc +++ b/src/diffusion_thomas_algorithm.cc @@ -19,12 +19,12 @@ * for the compiler-research.org organization. */ #include "diffusion_thomas_algorithm.h" -#include "cart_cell.h" -#include "hyperparams.h" -#include "tumor_cell.h" #include #include #include +#include "cart_cell.h" +#include "hyperparams.h" +#include "tumor_cell.h" namespace bdm { diff --git a/src/diffusion_thomas_algorithm.h b/src/diffusion_thomas_algorithm.h index 52a6d1a..3393e97 100644 --- a/src/diffusion_thomas_algorithm.h +++ b/src/diffusion_thomas_algorithm.h @@ -22,10 +22,10 @@ #ifndef DIFFUSION_THOMAS_ALGORITHM_H_ #define DIFFUSION_THOMAS_ALGORITHM_H_ -#include "biodynamo.h" -#include "core/diffusion/diffusion_grid.h" #include #include +#include "biodynamo.h" +#include "core/diffusion/diffusion_grid.h" namespace bdm { diff --git a/src/forces_tumor_cart.cc b/src/forces_tumor_cart.cc index 809e06e..f55f3cc 100644 --- a/src/forces_tumor_cart.cc +++ b/src/forces_tumor_cart.cc @@ -20,11 +20,11 @@ */ #include "forces_tumor_cart.h" +#include +#include #include "hyperparams.h" #include "tumor_cell.h" #include "utils_aux.h" -#include -#include namespace bdm { diff --git a/src/hyperparams.h b/src/hyperparams.h index b5e6835..272b663 100644 --- a/src/hyperparams.h +++ b/src/hyperparams.h @@ -22,8 +22,8 @@ #ifndef TUMOR_HYPERPARAMS_H_ #define TUMOR_HYPERPARAMS_H_ -#include "biodynamo.h" #include +#include "biodynamo.h" namespace bdm { diff --git a/src/tumor_cell.cc b/src/tumor_cell.cc index d1ea6dd..3282d31 100644 --- a/src/tumor_cell.cc +++ b/src/tumor_cell.cc @@ -20,11 +20,11 @@ */ #include "tumor_cell.h" -#include "hyperparams.h" -#include "utils_aux.h" #include #include #include +#include "hyperparams.h" +#include "utils_aux.h" namespace bdm { diff --git a/src/utils_aux.cc b/src/utils_aux.cc index ea2c30e..90cff66 100644 --- a/src/utils_aux.cc +++ b/src/utils_aux.cc @@ -20,12 +20,12 @@ */ #include "utils_aux.h" -#include "hyperparams.h" -#include "tumor_cell.h" #include #include #include #include +#include "hyperparams.h" +#include "tumor_cell.h" namespace bdm { diff --git a/src/utils_aux.h b/src/utils_aux.h index 1455217..a8d9063 100644 --- a/src/utils_aux.h +++ b/src/utils_aux.h @@ -22,10 +22,10 @@ #ifndef CORE_UTIL_UTILS_AUX_H_ #define CORE_UTIL_UTILS_AUX_H_ -#include "biodynamo.h" #include #include #include +#include "biodynamo.h" namespace bdm { /// Forward declaration of TumorCell class From 858ba08f4f05843a20a819985d7e30ad90656c70 Mon Sep 17 00:00:00 2001 From: salva24 Date: Tue, 26 Aug 2025 22:39:04 +0200 Subject: [PATCH 25/47] resolved clang tidy? --- src/diffusion_thomas_algorithm.h | 34 +++++++++++++++++++++++++------- 1 file changed, 27 insertions(+), 7 deletions(-) diff --git a/src/diffusion_thomas_algorithm.h b/src/diffusion_thomas_algorithm.h index 3393e97..2efed8c 100644 --- a/src/diffusion_thomas_algorithm.h +++ b/src/diffusion_thomas_algorithm.h @@ -19,23 +19,43 @@ * for the compiler-research.org organization. */ -#ifndef DIFFUSION_THOMAS_ALGORITHM_H_ -#define DIFFUSION_THOMAS_ALGORITHM_H_ +#ifndef HOME_USUARIO_DESKTOP_VASSIL_CARTOPIAX_SRC_DIFFUSION_THOMAS_ALGORITHM_H_ +#define HOME_USUARIO_DESKTOP_VASSIL_CARTOPIAX_SRC_DIFFUSION_THOMAS_ALGORITHM_H_ #include #include -#include "biodynamo.h" + #include "core/diffusion/diffusion_grid.h" namespace bdm { +// Forward declarations +using real_t = double; + /// Continuum model for the 3D heat equation with exponential decay /// /// Implements the diffusion equation, solved implicitly: ∂t u = ∇D∇u - μu /// Uses the Thomas algorithm for solving tridiagonal systems efficiently. class DiffusionThomasAlgorithm : public DiffusionGrid { public: - DiffusionThomasAlgorithm() = default; + DiffusionThomasAlgorithm() + : resolution_(0), + d_space_(0.0), + thomas_denom_x_(), + thomas_c_x_(), + thomas_denom_y_(), + thomas_c_y_(), + thomas_denom_z_(), + thomas_c_z_(), + jump_i_(0), + jump_j_(0), + jump_k_(0), + constant1_(0.0), + constant1a_(0.0), + constant2_(0.0), + constant3_(0.0), + constant3a_(0.0), + dirichlet_border_(false) {} DiffusionThomasAlgorithm(int substance_id, std::string substance_name, real_t dc, real_t mu, int resolution, real_t dt, @@ -43,7 +63,7 @@ class DiffusionThomasAlgorithm : public DiffusionGrid { /// Concentration setters void SetConcentration(real_t x, real_t y, real_t z, real_t amount) { - SetConcentration(GetBoxIndex(x, y, z), amount); + SetConcentration(GetBoxIndex(static_cast(x), static_cast(y), static_cast(z)), amount); }; void SetConcentration(size_t idx, real_t amount); @@ -184,11 +204,11 @@ class DiffusionThomasAlgorithm : public DiffusionGrid { /// @param y Y-coordinate in voxel space /// @param z Z-coordinate in voxel space /// @return Linear index in the flattened 3D array - size_t GetBoxIndex(size_t x, size_t y, size_t z) const; + [[nodiscard]] size_t GetBoxIndex(size_t x, size_t y, size_t z) const; BDM_CLASS_DEF_OVERRIDE(DiffusionThomasAlgorithm, 1); }; } // namespace bdm -#endif // DIFFUSION_THOMAS_ALGORITHM_H_ +#endif // HOME_USUARIO_DESKTOP_VASSIL_CARTOPIAX_SRC_DIFFUSION_THOMAS_ALGORITHM_H_ From b30d84cd9e373faf56259e722d798023a71ead11 Mon Sep 17 00:00:00 2001 From: salva24 Date: Wed, 27 Aug 2025 12:45:49 +0200 Subject: [PATCH 26/47] Revert "resolved clang tidy?" This reverts commit 858ba08f4f05843a20a819985d7e30ad90656c70. --- src/diffusion_thomas_algorithm.h | 34 +++++++------------------------- 1 file changed, 7 insertions(+), 27 deletions(-) diff --git a/src/diffusion_thomas_algorithm.h b/src/diffusion_thomas_algorithm.h index 2efed8c..3393e97 100644 --- a/src/diffusion_thomas_algorithm.h +++ b/src/diffusion_thomas_algorithm.h @@ -19,43 +19,23 @@ * for the compiler-research.org organization. */ -#ifndef HOME_USUARIO_DESKTOP_VASSIL_CARTOPIAX_SRC_DIFFUSION_THOMAS_ALGORITHM_H_ -#define HOME_USUARIO_DESKTOP_VASSIL_CARTOPIAX_SRC_DIFFUSION_THOMAS_ALGORITHM_H_ +#ifndef DIFFUSION_THOMAS_ALGORITHM_H_ +#define DIFFUSION_THOMAS_ALGORITHM_H_ #include #include - +#include "biodynamo.h" #include "core/diffusion/diffusion_grid.h" namespace bdm { -// Forward declarations -using real_t = double; - /// Continuum model for the 3D heat equation with exponential decay /// /// Implements the diffusion equation, solved implicitly: ∂t u = ∇D∇u - μu /// Uses the Thomas algorithm for solving tridiagonal systems efficiently. class DiffusionThomasAlgorithm : public DiffusionGrid { public: - DiffusionThomasAlgorithm() - : resolution_(0), - d_space_(0.0), - thomas_denom_x_(), - thomas_c_x_(), - thomas_denom_y_(), - thomas_c_y_(), - thomas_denom_z_(), - thomas_c_z_(), - jump_i_(0), - jump_j_(0), - jump_k_(0), - constant1_(0.0), - constant1a_(0.0), - constant2_(0.0), - constant3_(0.0), - constant3a_(0.0), - dirichlet_border_(false) {} + DiffusionThomasAlgorithm() = default; DiffusionThomasAlgorithm(int substance_id, std::string substance_name, real_t dc, real_t mu, int resolution, real_t dt, @@ -63,7 +43,7 @@ class DiffusionThomasAlgorithm : public DiffusionGrid { /// Concentration setters void SetConcentration(real_t x, real_t y, real_t z, real_t amount) { - SetConcentration(GetBoxIndex(static_cast(x), static_cast(y), static_cast(z)), amount); + SetConcentration(GetBoxIndex(x, y, z), amount); }; void SetConcentration(size_t idx, real_t amount); @@ -204,11 +184,11 @@ class DiffusionThomasAlgorithm : public DiffusionGrid { /// @param y Y-coordinate in voxel space /// @param z Z-coordinate in voxel space /// @return Linear index in the flattened 3D array - [[nodiscard]] size_t GetBoxIndex(size_t x, size_t y, size_t z) const; + size_t GetBoxIndex(size_t x, size_t y, size_t z) const; BDM_CLASS_DEF_OVERRIDE(DiffusionThomasAlgorithm, 1); }; } // namespace bdm -#endif // HOME_USUARIO_DESKTOP_VASSIL_CARTOPIAX_SRC_DIFFUSION_THOMAS_ALGORITHM_H_ +#endif // DIFFUSION_THOMAS_ALGORITHM_H_ From 66e4fff41d89311792f7fc3ba18f88262b576ede Mon Sep 17 00:00:00 2001 From: salva24 Date: Wed, 27 Aug 2025 15:05:35 +0200 Subject: [PATCH 27/47] solved clang tidy cart_cell.h and cart_tumor.h --- clang_output.txt | 1959 ++++++++++++++++++++++++++++++++++++++ src/cart_cell.h | 79 +- src/cart_tumor.h | 2 - src/forces_tumor_cart.cc | 1 + src/forces_tumor_cart.h | 7 +- src/tumor_cell.h | 1 + src/utils_aux.h | 1 + 7 files changed, 2024 insertions(+), 26 deletions(-) create mode 100644 clang_output.txt diff --git a/clang_output.txt b/clang_output.txt new file mode 100644 index 0000000..c009a4d --- /dev/null +++ b/clang_output.txt @@ -0,0 +1,1959 @@ +src/diffusion_thomas_algorithm.h: clang-tidy-18 -p=build -line-filter=[{\"name\":\"src/cart_cell.cc\",\"lines\":[[1,321]]},{\"name\":\"src/cart_cell.h\",\"lines\":[[1,250]]},{\"name\":\"src/cart_tumor.cc\",\"lines\":[[1,133]]},{\"name\":\"src/cart_tumor.h\",\"lines\":[[1,36]]},{\"name\":\"src/diffusion_thomas_algorithm.cc\",\"lines\":[[1,319]]},{\"name\":\"src/diffusion_thomas_algorithm.h\",\"lines\":[[1,194]]},{\"name\":\"src/forces_tumor_cart.cc\",\"lines\":[[1,163]]},{\"name\":\"src/forces_tumor_cart.h\",\"lines\":[[1,60]]},{\"name\":\"src/hyperparams.h\",\"lines\":[[1,216]]},{\"name\":\"src/tumor_cell.cc\",\"lines\":[[1,673]]},{\"name\":\"src/tumor_cell.h\",\"lines\":[[1,301]]},{\"name\":\"src/utils_aux.cc\",\"lines\":[[1,176]]},{\"name\":\"src/utils_aux.h\",\"lines\":[[1,96]]}] --enable-check-profile -store-check-profile=clang-tidy-review-profile --config-file=.clang-tidy --export-fixes=/tmp/tmpb2o1s_sd/tmphfdorwda.yaml src/diffusion_thomas_algorithm.h +102098 warnings generated. +/github/workspace/src/diffusion_thomas_algorithm.h:22:9: warning: header guard does not follow preferred style [llvm-header-guard] + 22 | #ifndef DIFFUSION_THOMAS_ALGORITHM_H_ + | ^~~~~~~~~~~~~~~~~~~~~~~~~~~~~ + | GITHUB_WORKSPACE_SRC_DIFFUSION_THOMAS_ALGORITHM_H + 23 | #define DIFFUSION_THOMAS_ALGORITHM_H_ + | ~~~~~~~~~~~~~~~~~~~~~~~~~~~~~ + | GITHUB_WORKSPACE_SRC_DIFFUSION_THOMAS_ALGORITHM_H +/github/workspace/src/diffusion_thomas_algorithm.h:25:1: warning: #includes are not sorted properly [llvm-include-order] + 25 | #include + | ^ +note: this fix will not be applied because it overlaps with another fix +/github/workspace/src/diffusion_thomas_algorithm.h:27:1: warning: included header biodynamo.h is not used directly [misc-include-cleaner] + 27 | #include "biodynamo.h" + | ^~~~~~~~~~~~~~~~~~~~~~ + 28 | #include "core/diffusion/diffusion_grid.h" +/github/workspace/src/diffusion_thomas_algorithm.h:36:7: warning: constructor does not initialize these fields: resolution_, d_space_, jump_i_, jump_j_, jump_k_, constant1_, constant1a_, constant2_, constant3_, constant3a_, dirichlet_border_ [cppcoreguidelines-pro-type-member-init] + 36 | class DiffusionThomasAlgorithm : public DiffusionGrid { + | ^ +/github/workspace/src/diffusion_thomas_algorithm.h:41:28: warning: no header providing "bdm::real_t" is directly included [misc-include-cleaner] + 29 | + 30 | namespace bdm { + 31 | + 32 | /// Continuum model for the 3D heat equation with exponential decay + 33 | /// + 34 | /// Implements the diffusion equation, solved implicitly: ∂t u = ∇D∇u - μu + 35 | /// Uses the Thomas algorithm for solving tridiagonal systems efficiently. + 36 | class DiffusionThomasAlgorithm : public DiffusionGrid { + 37 | public: + 38 | DiffusionThomasAlgorithm() = default; + 39 | + 40 | DiffusionThomasAlgorithm(int substance_id, std::string substance_name, + 41 | real_t dc, real_t mu, int resolution, real_t dt, + | ^ +/github/workspace/src/diffusion_thomas_algorithm.h:46:34: warning: narrowing conversion from 'real_t' (aka 'double') to 'size_t' (aka 'unsigned long') [bugprone-narrowing-conversions,cppcoreguidelines-narrowing-conversions] + 46 | SetConcentration(GetBoxIndex(x, y, z), amount); + | ^ +/github/workspace/src/diffusion_thomas_algorithm.h:46:37: warning: narrowing conversion from 'real_t' (aka 'double') to 'size_t' (aka 'unsigned long') [bugprone-narrowing-conversions,cppcoreguidelines-narrowing-conversions] + 46 | SetConcentration(GetBoxIndex(x, y, z), amount); + | ^ +/github/workspace/src/diffusion_thomas_algorithm.h:46:40: warning: narrowing conversion from 'real_t' (aka 'double') to 'size_t' (aka 'unsigned long') [bugprone-narrowing-conversions,cppcoreguidelines-narrowing-conversions] + 46 | SetConcentration(GetBoxIndex(x, y, z), amount); + | ^ +/github/workspace/src/diffusion_thomas_algorithm.h:49:25: warning: no header providing "size_t" is directly included [misc-include-cleaner] + 25 | void SetConcentration(size_t idx, real_t amount); + | ^ +/github/workspace/src/diffusion_thomas_algorithm.h:115:10: warning: invalid case style for private member 'resolution_' [readability-identifier-naming] + 115 | size_t resolution_; + | ^~~~~~~~~~~ + | resolution +/github/workspace/src/diffusion_thomas_algorithm.h:118:10: warning: invalid case style for private member 'd_space_' [readability-identifier-naming] + 118 | real_t d_space_; + | ^~~~~~~~ + | d_space +/github/workspace/src/diffusion_thomas_algorithm.h:121:23: warning: invalid case style for private member 'thomas_denom_x_' [readability-identifier-naming] + 121 | std::vector thomas_denom_x_; + | ^~~~~~~~~~~~~~~ + | thomas_denom_x +/github/workspace/src/diffusion_thomas_algorithm.h:124:23: warning: invalid case style for private member 'thomas_c_x_' [readability-identifier-naming] + 124 | std::vector thomas_c_x_; + | ^~~~~~~~~~~ + | thomas_c_x +/github/workspace/src/diffusion_thomas_algorithm.h:127:23: warning: invalid case style for private member 'thomas_denom_y_' [readability-identifier-naming] + 127 | std::vector thomas_denom_y_; + | ^~~~~~~~~~~~~~~ + | thomas_denom_y +/github/workspace/src/diffusion_thomas_algorithm.h:130:23: warning: invalid case style for private member 'thomas_c_y_' [readability-identifier-naming] + 130 | std::vector thomas_c_y_; + | ^~~~~~~~~~~ + | thomas_c_y +/github/workspace/src/diffusion_thomas_algorithm.h:133:23: warning: invalid case style for private member 'thomas_denom_z_' [readability-identifier-naming] + 133 | std::vector thomas_denom_z_; + | ^~~~~~~~~~~~~~~ + | thomas_denom_z +/github/workspace/src/diffusion_thomas_algorithm.h:136:23: warning: invalid case style for private member 'thomas_c_z_' [readability-identifier-naming] + 136 | std::vector thomas_c_z_; + | ^~~~~~~~~~~ + | thomas_c_z +/github/workspace/src/diffusion_thomas_algorithm.h:139:7: warning: invalid case style for private member 'jump_i_' [readability-identifier-naming] + 139 | int jump_i_; + | ^~~~~~~ + | jump_i +/github/workspace/src/diffusion_thomas_algorithm.h:142:7: warning: invalid case style for private member 'jump_j_' [readability-identifier-naming] + 142 | int jump_j_; + | ^~~~~~~ + | jump_j +/github/workspace/src/diffusion_thomas_algorithm.h:145:7: warning: invalid case style for private member 'jump_k_' [readability-identifier-naming] + 145 | int jump_k_; + | ^~~~~~~ + | jump_k +/github/workspace/src/diffusion_thomas_algorithm.h:148:10: warning: invalid case style for private member 'constant1_' [readability-identifier-naming] + 148 | real_t constant1_; + | ^~~~~~~~~~ + | constant1 +/github/workspace/src/diffusion_thomas_algorithm.h:151:10: warning: invalid case style for private member 'constant1a_' [readability-identifier-naming] + 151 | real_t constant1a_; + | ^~~~~~~~~~~ + | constant1a +/github/workspace/src/diffusion_thomas_algorithm.h:154:10: warning: invalid case style for private member 'constant2_' [readability-identifier-naming] + 154 | real_t constant2_; + | ^~~~~~~~~~ + | constant2 +/github/workspace/src/diffusion_thomas_algorithm.h:157:10: warning: invalid case style for private member 'constant3_' [readability-identifier-naming] + 157 | real_t constant3_; + | ^~~~~~~~~~ + | constant3 +/github/workspace/src/diffusion_thomas_algorithm.h:160:10: warning: invalid case style for private member 'constant3a_' [readability-identifier-naming] + 160 | real_t constant3a_; + | ^~~~~~~~~~~ + | constant3a +/github/workspace/src/diffusion_thomas_algorithm.h:163:8: warning: invalid case style for private member 'dirichlet_border_' [readability-identifier-naming] + 163 | bool dirichlet_border_; + | ^~~~~~~~~~~~~~~~~ + | dirichlet_border +/github/workspace/src/diffusion_thomas_algorithm.h:189:3: warning: do not use 'else' after 'return' [llvm-else-after-return,readability-else-after-return] + 189 | BDM_CLASS_DEF_OVERRIDE(DiffusionThomasAlgorithm, 1); + | ^~~~~~~~~~~~~~~~~~~~~~ +/github/workspace/biodynamo/build/include/core/util/root.h:28:3: note: expanded from macro 'BDM_CLASS_DEF_OVERRIDE' + 28 | ClassDefOverride(class_name, class_version_id) + | ^~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~ +/github/workspace/biodynamo/build/third_party/root/include/Rtypes.h:342:4: note: expanded from macro 'ClassDefOverride' + 342 | _ClassDefOutline_(name,id,,override) \ + | ^~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~ +/github/workspace/biodynamo/build/third_party/root/include/Rtypes.h:304:4: note: expanded from macro '_ClassDefOutline_' + 304 | _ClassDefBase_(name,id, virtual_keyword, overrd) \ + | ^~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~ +/github/workspace/biodynamo/build/third_party/root/include/Rtypes.h:280:9: note: expanded from macro '_ClassDefBase_' + 280 | } else if (recurseBlocker == 1) { \ + | ^~~~ +/github/workspace/src/diffusion_thomas_algorithm.h:189:3: warning: no header providing "BDM_CLASS_DEF_OVERRIDE" is directly included [misc-include-cleaner] + 29 | BDM_CLASS_DEF_OVERRIDE(DiffusionThomasAlgorithm, 1); + | ^ +/github/workspace/src/diffusion_thomas_algorithm.h:189:3: warning: use c++17 style variable templates [modernize-type-traits] +/github/workspace/biodynamo/build/include/core/util/root.h:28:3: note: expanded from macro 'BDM_CLASS_DEF_OVERRIDE' + 28 | ClassDefOverride(class_name, class_version_id) + | ^ +/github/workspace/biodynamo/build/third_party/root/include/Rtypes.h:342:4: note: expanded from macro 'ClassDefOverride' + 342 | _ClassDefOutline_(name,id,,override) \ + | ^ +/github/workspace/biodynamo/build/third_party/root/include/Rtypes.h:304:4: note: expanded from macro '_ClassDefOutline_' + 304 | _ClassDefBase_(name,id, virtual_keyword, overrd) \ + | ^ +/github/workspace/biodynamo/build/third_party/root/include/Rtypes.h:273:18: note: expanded from macro '_ClassDefBase_' + 273 | static_assert(std::is_integral::value, \ + | ^ +Suppressed 102227 warnings (102065 in non-user code, 162 NOLINT). +Use -header-filter=.* to display errors from all non-system headers. Use -system-headers to display errors from system headers as well. +src/hyperparams.h: clang-tidy-18 -p=build -line-filter=[{\"name\":\"src/cart_cell.cc\",\"lines\":[[1,321]]},{\"name\":\"src/cart_cell.h\",\"lines\":[[1,250]]},{\"name\":\"src/cart_tumor.cc\",\"lines\":[[1,133]]},{\"name\":\"src/cart_tumor.h\",\"lines\":[[1,36]]},{\"name\":\"src/diffusion_thomas_algorithm.cc\",\"lines\":[[1,319]]},{\"name\":\"src/diffusion_thomas_algorithm.h\",\"lines\":[[1,194]]},{\"name\":\"src/forces_tumor_cart.cc\",\"lines\":[[1,163]]},{\"name\":\"src/forces_tumor_cart.h\",\"lines\":[[1,60]]},{\"name\":\"src/hyperparams.h\",\"lines\":[[1,216]]},{\"name\":\"src/tumor_cell.cc\",\"lines\":[[1,673]]},{\"name\":\"src/tumor_cell.h\",\"lines\":[[1,301]]},{\"name\":\"src/utils_aux.cc\",\"lines\":[[1,176]]},{\"name\":\"src/utils_aux.h\",\"lines\":[[1,96]]}] --enable-check-profile -store-check-profile=clang-tidy-review-profile --config-file=.clang-tidy --export-fixes=/tmp/tmpb2o1s_sd/tmpg5dwfux3.yaml src/hyperparams.h +/github/workspace/src/hyperparams.h:22:9: warning: header guard does not follow preferred style [llvm-header-guard] + 22 | #ifndef TUMOR_HYPERPARAMS_H_ + | ^~~~~~~~~~~~~~~~~~~~ + | GITHUB_WORKSPACE_SRC_HYPERPARAMS_H + 23 | #define TUMOR_HYPERPARAMS_H_ + | ~~~~~~~~~~~~~~~~~~~~ + | GITHUB_WORKSPACE_SRC_HYPERPARAMS_H +/github/workspace/src/hyperparams.h:25:1: warning: #includes are not sorted properly [llvm-include-order] + 25 | #include + | ^ +note: this fix will not be applied because it overlaps with another fix +/github/workspace/src/hyperparams.h:26:1: warning: included header biodynamo.h is not used directly [misc-include-cleaner] + 26 | #include "biodynamo.h" + | ^~~~~~~~~~~~~~~~~~~~~~ + 27 | +/github/workspace/src/hyperparams.h:39:11: warning: no header providing "bdm::real_t" is directly included [misc-include-cleaner] + 27 | + 28 | namespace bdm { + 29 | + 30 | /// This file contains hyperparameters used in the simulation. Change: In a + 31 | /// future version it needs to be changed into a params file with no need to be + 32 | /// recompiled + 33 | + 34 | /// + 35 | /// TumorCell Hyperparameters + 36 | /// + 37 | + 38 | /// Rate of secretion of immunostimulatory factor of tumor cells per minute + 39 | constexpr real_t kRateSecretionImmunostimulatoryFactor = 10.0; + | ^ +/github/workspace/src/hyperparams.h:128:6: warning: result of integer division used in a floating point context; possible loss of precision [bugprone-integer-division] + 128 | (kBoundedSpaceLength / kResolutionGridSubstances) * + | ^ +/github/workspace/src/hyperparams.h:129:6: warning: result of integer division used in a floating point context; possible loss of precision [bugprone-integer-division] + 129 | (kBoundedSpaceLength / kResolutionGridSubstances) * + | ^ +/github/workspace/src/hyperparams.h:130:6: warning: result of integer division used in a floating point context; possible loss of precision [bugprone-integer-division] + 130 | (kBoundedSpaceLength / + | ^ +/github/workspace/src/hyperparams.h:189:14: warning: invalid case style for global constant 'kLengthBoxMechanics' [readability-identifier-naming] + 189 | const real_t kLengthBoxMechanics = + | ^~~~~~~~~~~~~~~~~~~ + | gKLengthBoxMechanics +/github/workspace/src/hyperparams.h:194:14: warning: invalid case style for global constant 'kSquaredMaxDistanceNeighborsForce' [readability-identifier-naming] + 194 | const real_t kSquaredMaxDistanceNeighborsForce = std::pow( + | ^~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~ + | gKSquaredMaxDistanceNeighborsForce +/github/workspace/src/hyperparams.h:195:54: warning: no header providing "bdm::Math" is directly included [misc-include-cleaner] + 27 | 0.1 + std::cbrt(kDefaultVolumeNewTumorCell * 6 / Math::kPi) * + | ^ +102078 warnings generated. +Suppressed 102230 warnings (102068 in non-user code, 162 NOLINT). +Use -header-filter=.* to display errors from all non-system headers. Use -system-headers to display errors from system headers as well. +src/utils_aux.h: clang-tidy-18 -p=build -line-filter=[{\"name\":\"src/cart_cell.cc\",\"lines\":[[1,321]]},{\"name\":\"src/cart_cell.h\",\"lines\":[[1,250]]},{\"name\":\"src/cart_tumor.cc\",\"lines\":[[1,133]]},{\"name\":\"src/cart_tumor.h\",\"lines\":[[1,36]]},{\"name\":\"src/diffusion_thomas_algorithm.cc\",\"lines\":[[1,319]]},{\"name\":\"src/diffusion_thomas_algorithm.h\",\"lines\":[[1,194]]},{\"name\":\"src/forces_tumor_cart.cc\",\"lines\":[[1,163]]},{\"name\":\"src/forces_tumor_cart.h\",\"lines\":[[1,60]]},{\"name\":\"src/hyperparams.h\",\"lines\":[[1,216]]},{\"name\":\"src/tumor_cell.cc\",\"lines\":[[1,673]]},{\"name\":\"src/tumor_cell.h\",\"lines\":[[1,301]]},{\"name\":\"src/utils_aux.cc\",\"lines\":[[1,176]]},{\"name\":\"src/utils_aux.h\",\"lines\":[[1,96]]}] --enable-check-profile -store-check-profile=clang-tidy-review-profile --config-file=.clang-tidy --export-fixes=/tmp/tmpb2o1s_sd/tmpxixo3_4q.yaml src/utils_aux.h +/github/workspace/src/utils_aux.h:22:9: warning: header guard does not follow preferred style [llvm-header-guard] + 22 | #ifndef CORE_UTIL_UTILS_AUX_H_ + | ^~~~~~~~~~~~~~~~~~~~~~ + | GITHUB_WORKSPACE_SRC_UTILS_AUX_H + 23 | #define CORE_UTIL_UTILS_AUX_H_ + | ~~~~~~~~~~~~~~~~~~~~~~ + | GITHUB_WORKSPACE_SRC_UTILS_AUX_H +/github/workspace/src/utils_aux.h:25:1: warning: #includes are not sorted properly [llvm-include-order] + 25 | #include + | ^ +note: this fix will not be applied because it overlaps with another fix +/github/workspace/src/utils_aux.h:28:1: warning: included header biodynamo.h is not used directly [misc-include-cleaner] + 28 | #include "biodynamo.h" + | ^~~~~~~~~~~~~~~~~~~~~~ + 29 | +/github/workspace/src/utils_aux.h:42:1: warning: no header providing "bdm::real_t" is directly included [misc-include-cleaner] + 29 | + 30 | namespace bdm { + 31 | /// Forward declaration of TumorCell class + 32 | class TumorCell; + 33 | + 34 | /// Sample a positive Gaussian value + 35 | /// + 36 | /// Samples a Gaussian value with given mean and standard deviation. + 37 | /// All negative values are mapped to zero to ensure positive results. + 38 | /// + 39 | /// @param mean Mean value of the Gaussian distribution + 40 | /// @param sigma Standard deviation of the Gaussian distribution + 41 | /// @return Sampled positive value (negative values mapped to zero) + 42 | real_t SamplePositiveGaussian(float mean, float sigma); + | ^ +/github/workspace/src/utils_aux.h:53:13: warning: no header providing "bdm::Real3" is directly included [misc-include-cleaner] + 29 | std::vector CreateSphereOfTumorCells(real_t sphere_radius); + | ^ +/github/workspace/src/utils_aux.h:68:12: warning: no header providing "size_t" is directly included [misc-include-cleaner] + 25 | std::tuple + | ^ +/github/workspace/src/utils_aux.h:76:31: warning: no header providing "bdm::StandaloneOperationImpl" is directly included [misc-include-cleaner] + 29 | struct OutputSummary : public StandaloneOperationImpl { + | ^ +/github/workspace/src/utils_aux.h:77:3: warning: returning a newly created resource of type 'OutputSummary *' or 'gsl::owner<>' from a function whose return type is not 'gsl::owner<>' [cppcoreguidelines-owning-memory] + 77 | BDM_OP_HEADER(OutputSummary); + | ^ +/github/workspace/biodynamo/build/include/core/operation/operation_registry.h:96:34: note: expanded from macro 'BDM_OP_HEADER' + 96 | class_name *Clone() override { return new class_name(*this); } + | ^~~~~~~~~~~~~~~~~~~~~~~~~~~~ +/github/workspace/src/utils_aux.h:77:3: warning: no header providing "BDM_OP_HEADER" is directly included [misc-include-cleaner] + 29 | BDM_OP_HEADER(OutputSummary); + | ^ +/github/workspace/src/utils_aux.h:80:12: warning: member variable 'frequency_' has public visibility [misc-non-private-member-variables-in-classes] + 80 | uint64_t frequency_ = 1; + | ^ +/github/workspace/src/utils_aux.h:80:12: warning: invalid case style for public member 'frequency_' [readability-identifier-naming] + 80 | uint64_t frequency_ = 1; + | ^~~~~~~~~~ + | frequency +/github/workspace/src/utils_aux.h:92:8: warning: initializing non-owner argument of type 'OperationImpl *' with a newly created 'gsl::owner<>' [cppcoreguidelines-owning-memory] + 92 | inline BDM_REGISTER_OP(OutputSummary, "OutputSummary", kCpu); + | ^ +/github/workspace/biodynamo/build/include/core/operation/operation_registry.h:66:38: note: expanded from macro 'BDM_REGISTER_OP' + 66 | name, OpComputeTarget::target, new op()); + | ^~~~~~~~ +/github/workspace/src/utils_aux.h:92:8: warning: no header providing "BDM_REGISTER_OP" is directly included [misc-include-cleaner] + 92 | inline BDM_REGISTER_OP(OutputSummary, "OutputSummary", kCpu); + | ^ +102077 warnings generated. +Suppressed 102226 warnings (102064 in non-user code, 162 NOLINT). +Use -header-filter=.* to display errors from all non-system headers. Use -system-headers to display errors from system headers as well. +src/tumor_cell.h: clang-tidy-18 -p=build -line-filter=[{\"name\":\"src/cart_cell.cc\",\"lines\":[[1,321]]},{\"name\":\"src/cart_cell.h\",\"lines\":[[1,250]]},{\"name\":\"src/cart_tumor.cc\",\"lines\":[[1,133]]},{\"name\":\"src/cart_tumor.h\",\"lines\":[[1,36]]},{\"name\":\"src/diffusion_thomas_algorithm.cc\",\"lines\":[[1,319]]},{\"name\":\"src/diffusion_thomas_algorithm.h\",\"lines\":[[1,194]]},{\"name\":\"src/forces_tumor_cart.cc\",\"lines\":[[1,163]]},{\"name\":\"src/forces_tumor_cart.h\",\"lines\":[[1,60]]},{\"name\":\"src/hyperparams.h\",\"lines\":[[1,216]]},{\"name\":\"src/tumor_cell.cc\",\"lines\":[[1,673]]},{\"name\":\"src/tumor_cell.h\",\"lines\":[[1,301]]},{\"name\":\"src/utils_aux.cc\",\"lines\":[[1,176]]},{\"name\":\"src/utils_aux.h\",\"lines\":[[1,96]]}] --enable-check-profile -store-check-profile=clang-tidy-review-profile --config-file=.clang-tidy --export-fixes=/tmp/tmpb2o1s_sd/tmpuq5_761j.yaml src/tumor_cell.h +102128 warnings generated. +Suppressed 102235 warnings (102073 in non-user code, 162 NOLINT). +Use -header-filter=.* to display errors from all non-system headers. Use -system-headers to display errors from system headers as well. +/github/workspace/src/tumor_cell.h:22:9: warning: header guard does not follow preferred style [llvm-header-guard] + 22 | #ifndef TUMOR_CELL_H_ + | ^~~~~~~~~~~~~ + | GITHUB_WORKSPACE_SRC_TUMOR_CELL_H + 23 | #define TUMOR_CELL_H_ + | ~~~~~~~~~~~~~ + | GITHUB_WORKSPACE_SRC_TUMOR_CELL_H +/github/workspace/src/tumor_cell.h:25:1: warning: included header biodynamo.h is not used directly [misc-include-cleaner] + 25 | #include "biodynamo.h" + | ^~~~~~~~~~~~~~~~~~~~~~ + 26 | +/github/workspace/src/tumor_cell.h:61:7: warning: class 'TumorCell' defines a non-default destructor but does not define a copy constructor, a copy assignment operator, a move constructor or a move assignment operator [cppcoreguidelines-special-member-functions] + 61 | class TumorCell : public Cell { + | ^ +/github/workspace/src/tumor_cell.h:61:26: warning: no header providing "bdm::Cell" is directly included [misc-include-cleaner] + 26 | class TumorCell : public Cell { + | ^ +/github/workspace/src/tumor_cell.h:62:3: warning: returning a newly created resource of type 'Agent *' or 'gsl::owner<>' from a function whose return type is not 'gsl::owner<>' [cppcoreguidelines-owning-memory] + 62 | BDM_AGENT_HEADER(TumorCell, Cell, 1); + | ^ +/github/workspace/biodynamo/build/include/core/agent/agent.h:59:33: note: expanded from macro 'BDM_AGENT_HEADER' + 59 | Agent* New() const override { return new class_name(); } \ + | ^~~~~~~~~~~~~~~~~~~~~~~ +/github/workspace/src/tumor_cell.h:62:3: warning: constructor does not initialize these fields: state_, timer_state_, oxygen_dgrid_, immunostimulatory_factor_dgrid_, oncoproteine_level_, transformation_random_rate_, attached_to_cart_, fluid_fraction_, nuclear_volume_, target_cytoplasm_solid_, target_nucleus_solid_, target_fraction_fluid_, target_relation_cytoplasm_nucleus_, type_, oxygen_consumption_rate_, immunostimulatory_factor_secretion_rate_, constant1_oxygen_, constant2_oxygen_, constant1_immunostimulatory_factor_, constant2_immunostimulatory_factor_ [cppcoreguidelines-pro-type-member-init] + 62 | BDM_AGENT_HEADER(TumorCell, Cell, 1); + | ^ +/github/workspace/biodynamo/build/include/core/agent/agent.h:56:3: note: expanded from macro 'BDM_AGENT_HEADER' + 56 | explicit class_name(TRootIOCtor* io_ctor) {} \ + | ^ +/github/workspace/src/tumor_cell.h:62:3: warning: do not use 'else' after 'return' [llvm-else-after-return,readability-else-after-return] + 62 | BDM_AGENT_HEADER(TumorCell, Cell, 1); + | ^~~~~~~~~~~~~~~~ +/github/workspace/biodynamo/build/include/core/agent/agent.h:72:3: note: expanded from macro 'BDM_AGENT_HEADER' + 72 | BDM_CLASS_DEF_OVERRIDE(class_name, class_version_id) + | ^~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~ +/github/workspace/biodynamo/build/include/core/util/root.h:28:3: note: expanded from macro 'BDM_CLASS_DEF_OVERRIDE' + 28 | ClassDefOverride(class_name, class_version_id) + | ^~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~ +/github/workspace/biodynamo/build/third_party/root/include/Rtypes.h:342:4: note: expanded from macro 'ClassDefOverride' + 342 | _ClassDefOutline_(name,id,,override) \ + | ^~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~ +/github/workspace/biodynamo/build/third_party/root/include/Rtypes.h:304:4: note: expanded from macro '_ClassDefOutline_' + 304 | _ClassDefBase_(name,id, virtual_keyword, overrd) \ + | ^~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~ +/github/workspace/biodynamo/build/third_party/root/include/Rtypes.h:280:9: note: expanded from macro '_ClassDefBase_' + 280 | } else if (recurseBlocker == 1) { \ + | ^~~~ +/github/workspace/src/tumor_cell.h:62:3: warning: no header providing "BDM_AGENT_HEADER" is directly included [misc-include-cleaner] + 62 | BDM_AGENT_HEADER(TumorCell, Cell, 1); + | ^ +/github/workspace/src/tumor_cell.h:62:3: warning: parameter 'io_ctor' is unused [misc-unused-parameters] +/github/workspace/biodynamo/build/include/core/agent/agent.h:56:36: note: expanded from macro 'BDM_AGENT_HEADER' + 56 | explicit class_name(TRootIOCtor* io_ctor) {} \ + | ^ +/github/workspace/src/tumor_cell.h:62:3: warning: use c++17 style variable templates [modernize-type-traits] + 62 | BDM_AGENT_HEADER(TumorCell, Cell, 1); + | ^ +/github/workspace/biodynamo/build/include/core/agent/agent.h:72:3: note: expanded from macro 'BDM_AGENT_HEADER' + 72 | BDM_CLASS_DEF_OVERRIDE(class_name, class_version_id) + | ^ +/github/workspace/biodynamo/build/include/core/util/root.h:28:3: note: expanded from macro 'BDM_CLASS_DEF_OVERRIDE' + 28 | ClassDefOverride(class_name, class_version_id) + | ^ +/github/workspace/biodynamo/build/third_party/root/include/Rtypes.h:342:4: note: expanded from macro 'ClassDefOverride' + 342 | _ClassDefOutline_(name,id,,override) \ + | ^ +/github/workspace/biodynamo/build/third_party/root/include/Rtypes.h:304:4: note: expanded from macro '_ClassDefOutline_' + 304 | _ClassDefBase_(name,id, virtual_keyword, overrd) \ + | ^ +/github/workspace/biodynamo/build/third_party/root/include/Rtypes.h:273:18: note: expanded from macro '_ClassDefBase_' + 273 | static_assert(std::is_integral::value, \ + | ^ +/github/workspace/src/tumor_cell.h:65:3: warning: constructor does not initialize these fields: state_, timer_state_, oxygen_dgrid_, immunostimulatory_factor_dgrid_, oncoproteine_level_, transformation_random_rate_, attached_to_cart_, fluid_fraction_, nuclear_volume_, target_cytoplasm_solid_, target_nucleus_solid_, target_fraction_fluid_, target_relation_cytoplasm_nucleus_, type_, oxygen_consumption_rate_, immunostimulatory_factor_secretion_rate_, constant1_oxygen_, constant2_oxygen_, constant1_immunostimulatory_factor_, constant2_immunostimulatory_factor_ [cppcoreguidelines-pro-type-member-init] + 65 | TumorCell() {} + | ^ +/github/workspace/src/tumor_cell.h:65:3: warning: use '= default' to define a trivial default constructor [modernize-use-equals-default] + 65 | TumorCell() {} + | ^ ~~ + | = default; +/github/workspace/src/tumor_cell.h:67:28: warning: no header providing "bdm::Real3" is directly included [misc-include-cleaner] + 26 | explicit TumorCell(const Real3& position); + | ^ +/github/workspace/src/tumor_cell.h:69:11: warning: prefer using 'override' or (rarely) 'final' instead of 'virtual' [cppcoreguidelines-explicit-virtual-functions,modernize-use-override] + 69 | virtual ~TumorCell() {} + | ~~~~~~~ ^ + | override +/github/workspace/src/tumor_cell.h:69:11: warning: use '= default' to define a trivial destructor [modernize-use-equals-default] + 69 | virtual ~TumorCell() {} + | ^ ~~ + | = default; +/github/workspace/src/tumor_cell.h:73:25: warning: no header providing "bdm::NewAgentEvent" is directly included [misc-include-cleaner] + 26 | void Initialize(const NewAgentEvent& event) override; + | ^ +/github/workspace/src/tumor_cell.h:82:29: warning: no header providing "bdm::real_t" is directly included [misc-include-cleaner] + 26 | void SetOncoproteineLevel(real_t level); + | ^ +/github/workspace/src/tumor_cell.h:147:3: warning: no header providing "bdm::DiffusionGrid" is directly included [misc-include-cleaner] + 26 | DiffusionGrid* GetOxygenDiffusionGrid() const { return oxygen_dgrid_; } + | ^ +/github/workspace/src/tumor_cell.h:177:37: warning: no header providing "bdm::InteractionForce" is directly included [misc-include-cleaner] + 26 | Real3 CalculateDisplacement(const InteractionForce* force, + | ^ +/github/workspace/src/tumor_cell.h:200:18: warning: invalid case style for private member 'state_' [readability-identifier-naming] + 76 | TumorCellState state_; + | ^~~~~~ + | state +/github/workspace/src/tumor_cell.h:203:7: warning: invalid case style for private member 'timer_state_' [readability-identifier-naming] + 79 | int timer_state_; + | ^~~~~~~~~~~~ + | timer_state +/github/workspace/src/tumor_cell.h:206:18: warning: invalid case style for private member 'oxygen_dgrid_' [readability-identifier-naming] + 147 | DiffusionGrid* oxygen_dgrid_; + | ^~~~~~~~~~~~~ + | oxygen_dgrid +/github/workspace/src/tumor_cell.h:209:18: warning: invalid case style for private member 'immunostimulatory_factor_dgrid_' [readability-identifier-naming] + 150 | DiffusionGrid* immunostimulatory_factor_dgrid_; + | ^~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~ + | immunostimulatory_factor_dgrid +/github/workspace/src/tumor_cell.h:212:10: warning: invalid case style for private member 'oncoproteine_level_' [readability-identifier-naming] + 83 | real_t oncoproteine_level_; + | ^~~~~~~~~~~~~~~~~~~ + | oncoproteine_level +/github/workspace/src/tumor_cell.h:217:10: warning: invalid case style for private member 'transformation_random_rate_' [readability-identifier-naming] + 120 | real_t transformation_random_rate_; + | ^~~~~~~~~~~~~~~~~~~~~~~~~~~ + | transformation_random_rate +/github/workspace/src/tumor_cell.h:220:8: warning: invalid case style for private member 'attached_to_cart_' [readability-identifier-naming] + 123 | bool attached_to_cart_; + | ^~~~~~~~~~~~~~~~~ + | attached_to_cart +/github/workspace/src/tumor_cell.h:223:10: warning: invalid case style for private member 'fluid_fraction_' [readability-identifier-naming] + 86 | real_t fluid_fraction_; + | ^~~~~~~~~~~~~~~ + | fluid_fraction +/github/workspace/src/tumor_cell.h:226:10: warning: invalid case style for private member 'nuclear_volume_' [readability-identifier-naming] + 91 | real_t nuclear_volume_; + | ^~~~~~~~~~~~~~~ + | nuclear_volume +/github/workspace/src/tumor_cell.h:232:10: warning: invalid case style for private member 'target_cytoplasm_solid_' [readability-identifier-naming] + 96 | real_t target_cytoplasm_solid_; + | ^~~~~~~~~~~~~~~~~~~~~~~ + | target_cytoplasm_solid +/github/workspace/src/tumor_cell.h:235:10: warning: invalid case style for private member 'target_nucleus_solid_' [readability-identifier-naming] + 101 | real_t target_nucleus_solid_; + | ^~~~~~~~~~~~~~~~~~~~~ + | target_nucleus_solid +/github/workspace/src/tumor_cell.h:238:10: warning: invalid case style for private member 'target_fraction_fluid_' [readability-identifier-naming] + 106 | real_t target_fraction_fluid_; + | ^~~~~~~~~~~~~~~~~~~~~~ + | target_fraction_fluid +/github/workspace/src/tumor_cell.h:241:10: warning: invalid case style for private member 'target_relation_cytoplasm_nucleus_' [readability-identifier-naming] + 112 | real_t target_relation_cytoplasm_nucleus_; + | ^~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~ + | target_relation_cytoplasm_nucleus +/github/workspace/src/tumor_cell.h:246:7: warning: invalid case style for private member 'type_' [readability-identifier-naming] + 126 | int type_; + | ^~~~~ + | type +/github/workspace/src/tumor_cell.h:249:9: warning: invalid case style for private member 'older_velocity_' [readability-identifier-naming] + 129 | Real3 older_velocity_; + | ^~~~~~~~~~~~~~~ + | older_velocity +/github/workspace/src/tumor_cell.h:252:10: warning: invalid case style for private member 'oxygen_consumption_rate_' [readability-identifier-naming] + 132 | real_t oxygen_consumption_rate_; + | ^~~~~~~~~~~~~~~~~~~~~~~~ + | oxygen_consumption_rate +/github/workspace/src/tumor_cell.h:255:10: warning: invalid case style for private member 'immunostimulatory_factor_secretion_rate_' [readability-identifier-naming] + 138 | real_t immunostimulatory_factor_secretion_rate_; + | ^~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~ + | immunostimulatory_factor_secretion_rate +/github/workspace/src/tumor_cell.h:258:10: warning: invalid case style for private member 'constant1_oxygen_' [readability-identifier-naming] + 258 | real_t constant1_oxygen_; + | ^~~~~~~~~~~~~~~~~ + | constant1_oxygen +/github/workspace/src/tumor_cell.h:261:10: warning: invalid case style for private member 'constant2_oxygen_' [readability-identifier-naming] + 261 | real_t constant2_oxygen_; + | ^~~~~~~~~~~~~~~~~ + | constant2_oxygen +/github/workspace/src/tumor_cell.h:265:10: warning: invalid case style for private member 'constant1_immunostimulatory_factor_' [readability-identifier-naming] + 265 | real_t constant1_immunostimulatory_factor_; + | ^~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~ + | constant1_immunostimulatory_factor +/github/workspace/src/tumor_cell.h:269:10: warning: invalid case style for private member 'constant2_immunostimulatory_factor_' [readability-identifier-naming] + 269 | real_t constant2_immunostimulatory_factor_; + | ^~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~ + | constant2_immunostimulatory_factor +/github/workspace/src/tumor_cell.h:278:8: warning: class 'StateControlGrowProliferate' defines a non-default destructor but does not define a copy constructor, a copy assignment operator, a move constructor or a move assignment operator [cppcoreguidelines-special-member-functions] + 278 | struct StateControlGrowProliferate : public Behavior { + | ^ +/github/workspace/src/tumor_cell.h:278:45: warning: no header providing "bdm::Behavior" is directly included [misc-include-cleaner] + 26 | struct StateControlGrowProliferate : public Behavior { + | ^ +/github/workspace/src/tumor_cell.h:279:3: warning: returning a newly created resource of type 'Behavior *' or 'gsl::owner<>' from a function whose return type is not 'gsl::owner<>' [cppcoreguidelines-owning-memory] + 279 | BDM_BEHAVIOR_HEADER(StateControlGrowProliferate, Behavior, 1); + | ^ +/github/workspace/biodynamo/build/include/core/behavior/behavior.h:134:36: note: expanded from macro 'BDM_BEHAVIOR_HEADER' + 134 | Behavior* New() const override { return new class_name(); } \ + | ^~~~~~~~~~~~~~~~~~~~~~~ +/github/workspace/src/tumor_cell.h:279:3: warning: do not use 'else' after 'return' [llvm-else-after-return,readability-else-after-return] + 279 | BDM_BEHAVIOR_HEADER(StateControlGrowProliferate, Behavior, 1); + | ^~~~~~~~~~~~~~~~~~~ +/github/workspace/biodynamo/build/include/core/behavior/behavior.h:139:3: note: expanded from macro 'BDM_BEHAVIOR_HEADER' + 139 | BDM_CLASS_DEF_OVERRIDE(class_name, class_version_id); \ + | ^~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~ +/github/workspace/biodynamo/build/include/core/util/root.h:28:3: note: expanded from macro 'BDM_CLASS_DEF_OVERRIDE' + 28 | ClassDefOverride(class_name, class_version_id) + | ^~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~ +/github/workspace/biodynamo/build/third_party/root/include/Rtypes.h:342:4: note: expanded from macro 'ClassDefOverride' + 342 | _ClassDefOutline_(name,id,,override) \ + | ^~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~ +/github/workspace/biodynamo/build/third_party/root/include/Rtypes.h:304:4: note: expanded from macro '_ClassDefOutline_' + 304 | _ClassDefBase_(name,id, virtual_keyword, overrd) \ + | ^~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~ +/github/workspace/biodynamo/build/third_party/root/include/Rtypes.h:280:9: note: expanded from macro '_ClassDefBase_' + 280 | } else if (recurseBlocker == 1) { \ + | ^~~~ +/github/workspace/src/tumor_cell.h:279:3: warning: no header providing "BDM_BEHAVIOR_HEADER" is directly included [misc-include-cleaner] + 279 | BDM_BEHAVIOR_HEADER(StateControlGrowProliferate, Behavior, 1); + | ^ +/github/workspace/src/tumor_cell.h:279:3: warning: use c++17 style variable templates [modernize-type-traits] +/github/workspace/biodynamo/build/include/core/behavior/behavior.h:139:3: note: expanded from macro 'BDM_BEHAVIOR_HEADER' + 139 | BDM_CLASS_DEF_OVERRIDE(class_name, class_version_id); \ + | ^ +/github/workspace/biodynamo/build/include/core/util/root.h:28:3: note: expanded from macro 'BDM_CLASS_DEF_OVERRIDE' + 28 | ClassDefOverride(class_name, class_version_id) + | ^ +/github/workspace/biodynamo/build/third_party/root/include/Rtypes.h:342:4: note: expanded from macro 'ClassDefOverride' + 342 | _ClassDefOutline_(name,id,,override) \ + | ^ +/github/workspace/biodynamo/build/third_party/root/include/Rtypes.h:304:4: note: expanded from macro '_ClassDefOutline_' + 304 | _ClassDefBase_(name,id, virtual_keyword, overrd) \ + | ^ +/github/workspace/biodynamo/build/third_party/root/include/Rtypes.h:273:18: note: expanded from macro '_ClassDefBase_' + 273 | static_assert(std::is_integral::value, \ + | ^ +/github/workspace/src/tumor_cell.h:283:11: warning: prefer using 'override' or (rarely) 'final' instead of 'virtual' [cppcoreguidelines-explicit-virtual-functions,modernize-use-override] + 283 | virtual ~StateControlGrowProliferate() {} + | ~~~~~~~ ^ + | override +/github/workspace/src/tumor_cell.h:283:11: warning: use '= default' to define a trivial destructor [modernize-use-equals-default] + 283 | virtual ~StateControlGrowProliferate() {} + | ^ ~~ + | = default; +/github/workspace/src/tumor_cell.h:286:12: warning: no header providing "bdm::Agent" is directly included [misc-include-cleaner] + 26 | void Run(Agent* agent) override; + | ^ +102215 warnings generated. +Suppressed 102341 warnings (102179 in non-user code, 162 NOLINT). +Use -header-filter=.* to display errors from all non-system headers. Use -system-headers to display errors from system headers as well. +src/cart_cell.cc: clang-tidy-18 -p=build -line-filter=[{\"name\":\"src/cart_cell.cc\",\"lines\":[[1,321]]},{\"name\":\"src/cart_cell.h\",\"lines\":[[1,250]]},{\"name\":\"src/cart_tumor.cc\",\"lines\":[[1,133]]},{\"name\":\"src/cart_tumor.h\",\"lines\":[[1,36]]},{\"name\":\"src/diffusion_thomas_algorithm.cc\",\"lines\":[[1,319]]},{\"name\":\"src/diffusion_thomas_algorithm.h\",\"lines\":[[1,194]]},{\"name\":\"src/forces_tumor_cart.cc\",\"lines\":[[1,163]]},{\"name\":\"src/forces_tumor_cart.h\",\"lines\":[[1,60]]},{\"name\":\"src/hyperparams.h\",\"lines\":[[1,216]]},{\"name\":\"src/tumor_cell.cc\",\"lines\":[[1,673]]},{\"name\":\"src/tumor_cell.h\",\"lines\":[[1,301]]},{\"name\":\"src/utils_aux.cc\",\"lines\":[[1,176]]},{\"name\":\"src/utils_aux.h\",\"lines\":[[1,96]]}] --enable-check-profile -store-check-profile=clang-tidy-review-profile --config-file=.clang-tidy --export-fixes=/tmp/tmpb2o1s_sd/tmp_yehqeyw.yaml src/cart_cell.cc +/github/workspace/src/cart_cell.cc:23:1: warning: #includes are not sorted properly [llvm-include-order] + 23 | #include + | ^ ~~~~~~~~~~~ + | "hyperparams.h" + 24 | #include + | ~~~~~~~~~ + | "tumor_cell.h" + 25 | #include + | ~~~~~~~~~~~ + | "utils_aux.h" + 26 | #include + | ~~~~~~~~ + | + 27 | #include "hyperparams.h" + | ~~~~~~~~~~~~~~~ + | + 28 | #include "tumor_cell.h" + | ~~~~~~~~~~~~~~ + | + 29 | #include "utils_aux.h" + | ~~~~~~~~~~~~~ + | +/github/workspace/src/cart_cell.cc:33:1: warning: constructor does not initialize these fields: current_live_time_, fluid_fraction_, nuclear_volume_, target_cytoplasm_solid_, target_nucleus_solid_, target_fraction_fluid_, target_relation_cytoplasm_nucleus_, oxygen_consumption_rate_, immunostimulatory_factor_secretion_rate_, constant1_oxygen_, constant2_oxygen_ [cppcoreguidelines-pro-type-member-init] + 33 | CartCell::CartCell(const Real3& position) { + | ^ +/github/workspace/src/cart_cell.cc:33:26: warning: no header providing "bdm::Real3" is directly included [misc-include-cleaner] + 27 | #include "hyperparams.h" + 28 | #include "tumor_cell.h" + 29 | #include "utils_aux.h" + 30 | + 31 | namespace bdm { + 32 | + 33 | CartCell::CartCell(const Real3& position) { + | ^ +/github/workspace/src/cart_cell.cc:36:3: warning: 'state_' should be initialized in a member initializer of the constructor [cppcoreguidelines-prefer-member-initializer] + 33 | CartCell::CartCell(const Real3& position) { + | : state_(CartCellState::kAlive) + 34 | SetPosition(position); + 35 | // Default state for new cells + 36 | state_ = CartCellState::kAlive; + | ^~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~ +/github/workspace/src/cart_cell.cc:38:3: warning: 'timer_state_' should be initialized in a member initializer of the constructor [cppcoreguidelines-prefer-member-initializer] + 33 | CartCell::CartCell(const Real3& position) { + | , timer_state_(0) + 34 | SetPosition(position); + 35 | // Default state for new cells + 36 | state_ = CartCellState::kAlive; + 37 | // Initial timer_state for apoptotic state + 38 | timer_state_ = 0; + | ^~~~~~~~~~~~~~~~~ +/github/workspace/src/cart_cell.cc:48:3: warning: variable 'rm' of type 'ResourceManager &' can be declared 'const' [misc-const-correctness] + 48 | ResourceManager& rm = *Simulation::GetActive()->GetResourceManager(); + | ^ + | const +/github/workspace/src/cart_cell.cc:48:3: warning: no header providing "bdm::ResourceManager" is directly included [misc-include-cleaner] + 27 | ResourceManager& rm = *Simulation::GetActive()->GetResourceManager(); + | ^ +/github/workspace/src/cart_cell.cc:55:3: warning: 'attached_to_tumor_cell_' should be initialized in a member initializer of the constructor [cppcoreguidelines-prefer-member-initializer] + 33 | attached_to_tumor_cell_ = false; + | ^~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~ +/github/workspace/src/cart_cell.cc:57:3: warning: 'attached_cell_' should be initialized in a member initializer of the constructor [cppcoreguidelines-prefer-member-initializer] + 33 | attached_cell_ = nullptr; + | ^~~~~~~~~~~~~~~~~~~~~~~~~ +/github/workspace/src/cart_cell.cc:76:1: warning: no header providing "bdm::real_t" is directly included [misc-include-cleaner] + 27 | real_t CartCell::GetTargetTotalVolume() const { + | ^ +/github/workspace/src/cart_cell.cc:87:5: warning: 3 adjacent parameters of 'ChangeVolumeExponentialRelaxationEquation' of similar type ('real_t') are easily swapped by mistake [bugprone-easily-swappable-parameters] + 87 | real_t relaxation_rate_cytoplasm, real_t relaxation_rate_nucleus, + | ^~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~ + 88 | real_t relaxation_rate_fluid) { + | ~~~~~~~~~~~~~~~~~~~~~~~~~~~~ +/github/workspace/src/cart_cell.cc:87:12: note: the first parameter in the range is 'relaxation_rate_cytoplasm' + 87 | real_t relaxation_rate_cytoplasm, real_t relaxation_rate_nucleus, + | ^~~~~~~~~~~~~~~~~~~~~~~~~ +/github/workspace/src/cart_cell.cc:88:12: note: the last parameter in the range is 'relaxation_rate_fluid' + 88 | real_t relaxation_rate_fluid) { + | ^~~~~~~~~~~~~~~~~~~~~ +/github/workspace/src/cart_cell.cc:90:3: warning: variable 'current_total_volume' of type 'real_t' (aka 'double') can be declared 'const' [misc-const-correctness] + 90 | real_t current_total_volume = GetVolume(); + | ^ + | const +/github/workspace/src/cart_cell.cc:91:3: warning: variable 'fluid_fraction' of type 'real_t' (aka 'double') can be declared 'const' [misc-const-correctness] + 91 | real_t fluid_fraction = GetFluidFraction(); + | ^ + | const +/github/workspace/src/cart_cell.cc:92:3: warning: variable 'nuclear_volume' of type 'real_t' (aka 'double') can be declared 'const' [misc-const-correctness] + 92 | real_t nuclear_volume = GetNuclearVolume(); + | ^ + | const +/github/workspace/src/cart_cell.cc:94:3: warning: variable 'current_nuclear_solid' of type 'real_t' (aka 'double') can be declared 'const' [misc-const-correctness] + 94 | real_t current_nuclear_solid = nuclear_volume * (1 - fluid_fraction); + | ^ + | const +/github/workspace/src/cart_cell.cc:95:3: warning: variable 'current_cytoplasm_solid' of type 'real_t' (aka 'double') can be declared 'const' [misc-const-correctness] + 95 | real_t current_cytoplasm_solid = + | ^ + | const +/github/workspace/src/cart_cell.cc:98:3: warning: variable 'current_fluid' of type 'real_t' (aka 'double') can be declared 'const' [misc-const-correctness] + 98 | real_t current_fluid = fluid_fraction * current_total_volume; + | ^ + | const +/github/workspace/src/cart_cell.cc:110:3: warning: variable 'nuclear_fluid' of type 'real_t' (aka 'double') can be declared 'const' [misc-const-correctness] + 110 | real_t nuclear_fluid = new_fluid * (nuclear_volume / current_total_volume); + | ^ + | const +/github/workspace/src/cart_cell.cc:121:3: warning: variable 'target_cytoplasm_solid' of type 'real_t' (aka 'double') can be declared 'const' [misc-const-correctness] + 121 | real_t target_cytoplasm_solid = + | ^ + | const +/github/workspace/src/cart_cell.cc:132:3: warning: variable 'new_total_solid' of type 'real_t' (aka 'double') can be declared 'const' [misc-const-correctness] + 132 | real_t new_total_solid = nuclear_solid + cytoplasm_solid; + | ^ + | const +/github/workspace/src/cart_cell.cc:134:3: warning: variable 'total_nuclear' of type 'real_t' (aka 'double') can be declared 'const' [misc-const-correctness] + 134 | real_t total_nuclear = nuclear_solid + nuclear_fluid; + | ^ + | const +/github/workspace/src/cart_cell.cc:138:3: warning: variable 'new_volume' of type 'real_t' (aka 'double') can be declared 'const' [misc-const-correctness] + 138 | real_t new_volume = new_total_solid + new_fluid; + | ^ + | const +/github/workspace/src/cart_cell.cc:141:3: warning: variable 'new_fraction_fluid' of type 'real_t' (aka 'double') can be declared 'const' [misc-const-correctness] + 141 | real_t new_fraction_fluid = new_fluid / (1e-16 + new_volume); + | ^ + | const +/github/workspace/src/cart_cell.cc:141:44: warning: 1e-16 is a magic number; consider replacing it with a named constant [cppcoreguidelines-avoid-magic-numbers,readability-magic-numbers] + 141 | real_t new_fraction_fluid = new_fluid / (1e-16 + new_volume); + | ^ +/github/workspace/src/cart_cell.cc:156:45: warning: no header providing "bdm::InteractionForce" is directly included [misc-include-cleaner] + 27 | Real3 CartCell::CalculateDisplacement(const InteractionForce* force, + | ^ +/github/workspace/src/cart_cell.cc:175:9: warning: no header providing "bdm::L2F" is directly included [misc-include-cleaner] + 27 | L2F([&](Agent* neighbor, real_t /*squared_distance*/) { + | ^ +/github/workspace/src/cart_cell.cc:175:17: warning: no header providing "bdm::Agent" is directly included [misc-include-cleaner] + 27 | L2F([&](Agent* neighbor, real_t /*squared_distance*/) { + | ^ +/github/workspace/src/cart_cell.cc:206:42: warning: 2 adjacent parameters of 'ConsumeSecreteSubstance' of convertible types are easily swapped by mistake [bugprone-easily-swappable-parameters] + 206 | real_t CartCell::ConsumeSecreteSubstance(int substance_id, + | ^~~~~~~~~~~~~~~~~ + 207 | real_t old_concentration) { + | ~~~~~~~~~~~~~~~~~~~~~~~~ +/github/workspace/src/cart_cell.cc:206:46: note: the first parameter in the range is 'substance_id' + 206 | real_t CartCell::ConsumeSecreteSubstance(int substance_id, + | ^~~~~~~~~~~~ +/github/workspace/src/cart_cell.cc:207:49: note: the last parameter in the range is 'old_concentration' + 207 | real_t old_concentration) { + | ^~~~~~~~~~~~~~~~~ +/github/workspace/src/cart_cell.cc:206:42: note: + 206 | real_t CartCell::ConsumeSecreteSubstance(int substance_id, + | ^ +/github/workspace/src/cart_cell.cc:207:42: note: 'int' and 'real_t' may be implicitly converted: 'int' -> 'real_t' (as 'double'), 'real_t' (as 'double') -> 'int' + 207 | real_t old_concentration) { + | ^ +/github/workspace/src/cart_cell.cc:208:10: warning: variable 'res' is not initialized [cppcoreguidelines-init-variables] + 23 | real_t res; + | ^ + | = NAN +/github/workspace/src/cart_cell.cc:235:3: warning: variable 'volume' of type 'real_t' (aka 'double') can be declared 'const' [misc-const-correctness] + 235 | real_t volume = GetVolume(); + | ^ + | const +/github/workspace/src/cart_cell.cc:264:26: warning: 1e-10 is a magic number; consider replacing it with a named constant [cppcoreguidelines-avoid-magic-numbers,readability-magic-numbers] + 264 | 1e-10)) { // Probability of death= 1/CurrentLiveTime, + | ^ +/github/workspace/src/cart_cell.cc:294:29: warning: narrowing conversion from 'real_t' (aka 'double') to 'int' [bugprone-narrowing-conversions,cppcoreguidelines-narrowing-conversions] + 294 | cell->SetTimerState(cell->GetTimerState() + kDtCycle); + | ^ +/github/workspace/src/cart_cell.cc:312:9: warning: no header providing "bdm::Log" is directly included [misc-include-cleaner] + 27 | Log::Error("StateControlCart::Run", "Unknown CartCellState"); + | ^ +src/forces_tumor_cart.cc: clang-tidy-18 -p=build -line-filter=[{\"name\":\"src/cart_cell.cc\",\"lines\":[[1,321]]},{\"name\":\"src/cart_cell.h\",\"lines\":[[1,250]]},{\"name\":\"src/cart_tumor.cc\",\"lines\":[[1,133]]},{\"name\":\"src/cart_tumor.h\",\"lines\":[[1,36]]},{\"name\":\"src/diffusion_thomas_algorithm.cc\",\"lines\":[[1,319]]},{\"name\":\"src/diffusion_thomas_algorithm.h\",\"lines\":[[1,194]]},{\"name\":\"src/forces_tumor_cart.cc\",\"lines\":[[1,163]]},{\"name\":\"src/forces_tumor_cart.h\",\"lines\":[[1,60]]},{\"name\":\"src/hyperparams.h\",\"lines\":[[1,216]]},{\"name\":\"src/tumor_cell.cc\",\"lines\":[[1,673]]},{\"name\":\"src/tumor_cell.h\",\"lines\":[[1,301]]},{\"name\":\"src/utils_aux.cc\",\"lines\":[[1,176]]},{\"name\":\"src/utils_aux.h\",\"lines\":[[1,96]]}] --enable-check-profile -store-check-profile=clang-tidy-review-profile --config-file=.clang-tidy --export-fixes=/tmp/tmpb2o1s_sd/tmpkduc6546.yaml src/forces_tumor_cart.cc +/github/workspace/src/forces_tumor_cart.cc:23:1: warning: #includes are not sorted properly [llvm-include-order] + 23 | #include + | ^ ~~~~~~~~~~~ + | "hyperparams.h" + 24 | #include + | ~~~~~~~ + | "tumor_cell.h" + 25 | #include "hyperparams.h" + | ~~~~~~~~~~~~~~~ + | "utils_aux.h" + 26 | #include "tumor_cell.h" + | ~~~~~~~~~~~~~~ + | + 27 | #include "utils_aux.h" + | ~~~~~~~~~~~~~ + | +/github/workspace/src/forces_tumor_cart.cc:31:1: warning: no header providing "bdm::Real4" is directly included [misc-include-cleaner] + 25 | #include "hyperparams.h" + 26 | #include "tumor_cell.h" + 27 | #include "utils_aux.h" + 28 | + 29 | namespace bdm { + 30 | + 31 | Real4 InteractionVelocity::Calculate(const Agent* lhs, const Agent* rhs) const { + | ^ +/github/workspace/src/forces_tumor_cart.cc:31:44: warning: no header providing "bdm::Agent" is directly included [misc-include-cleaner] + 25 | #include "hyperparams.h" + 26 | #include "tumor_cell.h" + 27 | #include "utils_aux.h" + 28 | + 29 | namespace bdm { + 30 | + 31 | Real4 InteractionVelocity::Calculate(const Agent* lhs, const Agent* rhs) const { + | ^ +/github/workspace/src/forces_tumor_cart.cc:32:3: warning: 'auto *a' can be declared as 'const auto *a' [readability-qualified-auto] + 32 | auto* a = dynamic_cast(lhs); + | ^ + | const +/github/workspace/src/forces_tumor_cart.cc:32:32: warning: no header providing "bdm::Cell" is directly included [misc-include-cleaner] + 25 | #include "hyperparams.h" + 26 | #include "tumor_cell.h" + 27 | #include "utils_aux.h" + 28 | + 29 | namespace bdm { + 30 | + 31 | Real4 InteractionVelocity::Calculate(const Agent* lhs, const Agent* rhs) const { + 32 | auto* a = dynamic_cast(lhs); + | ^ +/github/workspace/src/forces_tumor_cart.cc:33:3: warning: 'auto *b' can be declared as 'const auto *b' [readability-qualified-auto] + 33 | auto* b = dynamic_cast(rhs); + | ^ + | const +/github/workspace/src/forces_tumor_cart.cc:36:34: warning: statement should be inside braces [readability-braces-around-statements] + 36 | if (a->GetUid() == b->GetUid()) + | ^ + | { + 37 | return {0.0, 0.0, 0.0, 0.0}; + | +/github/workspace/src/forces_tumor_cart.cc:39:3: warning: no header providing "bdm::Real3" is directly included [misc-include-cleaner] + 39 | Real3 displacement = a->GetPosition() - b->GetPosition(); + | ^ +/github/workspace/src/forces_tumor_cart.cc:52:3: warning: variable 'dist_sq' of type 'double' can be declared 'const' [misc-const-correctness] + 52 | double dist_sq = displacement[0] * displacement[0] + + | ^ + | const +102175 warnings generated. +Suppressed 102299 warnings (102137 in non-user code, 162 NOLINT). +Use -header-filter=.* to display errors from all non-system headers. Use -system-headers to display errors from system headers as well. +/github/workspace/src/forces_tumor_cart.cc:55:3: warning: variable 'distance' of type 'double' can be declared 'const' [misc-const-correctness] + 55 | double distance = std::max(std::sqrt(dist_sq), 1e-5); + | ^ + | const +/github/workspace/src/forces_tumor_cart.cc:55:50: warning: 1e-5 is a magic number; consider replacing it with a named constant [cppcoreguidelines-avoid-magic-numbers,readability-magic-numbers] + 55 | double distance = std::max(std::sqrt(dist_sq), 1e-5); + | ^ +/github/workspace/src/forces_tumor_cart.cc:57:3: warning: variable 'radius_a' of type 'double' can be declared 'const' [misc-const-correctness] + 57 | double radius_a = a->GetDiameter() / 2.0; + | ^ + | const +/github/workspace/src/forces_tumor_cart.cc:57:40: warning: 2.0 is a magic number; consider replacing it with a named constant [cppcoreguidelines-avoid-magic-numbers,readability-magic-numbers] + 57 | double radius_a = a->GetDiameter() / 2.0; + | ^ +/github/workspace/src/forces_tumor_cart.cc:58:3: warning: variable 'radius_b' of type 'double' can be declared 'const' [misc-const-correctness] + 58 | double radius_b = b->GetDiameter() / 2.0; + | ^ + | const +/github/workspace/src/forces_tumor_cart.cc:58:40: warning: 2.0 is a magic number; consider replacing it with a named constant [cppcoreguidelines-avoid-magic-numbers,readability-magic-numbers] + 58 | double radius_b = b->GetDiameter() / 2.0; + | ^ +/github/workspace/src/forces_tumor_cart.cc:59:3: warning: variable 'R' of type 'double' can be declared 'const' [misc-const-correctness] + 59 | double R = radius_a + radius_b; + | ^ + | const +/github/workspace/src/forces_tumor_cart.cc:59:10: warning: invalid case style for local variable 'R' [readability-identifier-naming] + 59 | double R = radius_a + radius_b; + | ^ + | r + 60 | // R=16.8254;//Debug + 61 | // std::cout << "Debug: R = " << R << ", distance = " << distance << + 62 | // std::endl;// Debug output + 63 | double temp_r = 0.0; + 64 | + 65 | const TumorCell* a_tumor = dynamic_cast(a); + 66 | const TumorCell* b_tumor = dynamic_cast(b); + 67 | + 68 | if (distance < R) { + | ~ + | r + 69 | // 1 - d/R + 70 | temp_r = 1.0 - distance / R; + | ~ + | r +/github/workspace/src/forces_tumor_cart.cc:65:9: warning: use auto when initializing with a cast to avoid duplicating the type name [modernize-use-auto] + 65 | const TumorCell* a_tumor = dynamic_cast(a); + | ^~~~~~~~~ + | auto +/github/workspace/src/forces_tumor_cart.cc:66:9: warning: use auto when initializing with a cast to avoid duplicating the type name [modernize-use-auto] + 66 | const TumorCell* b_tumor = dynamic_cast(b); + | ^~~~~~~~~ + | auto +/github/workspace/src/forces_tumor_cart.cc:74:12: warning: variable 'repulsion' is not initialized [cppcoreguidelines-init-variables] + 23 | double repulsion; + | ^ + | = NAN +/github/workspace/src/forces_tumor_cart.cc:77:9: warning: implicit conversion 'const TumorCell *' -> 'bool' [readability-implicit-bool-conversion] + 77 | if (a_tumor && b_tumor) { // two tumor cells + | ^ + | ( != nullptr) +/github/workspace/src/forces_tumor_cart.cc:77:20: warning: implicit conversion 'const TumorCell *' -> 'bool' [readability-implicit-bool-conversion] + 77 | if (a_tumor && b_tumor) { // two tumor cells + | ^ + | ( != nullptr) +/github/workspace/src/forces_tumor_cart.cc:80:17: warning: implicit conversion 'const TumorCell *' -> 'bool' [readability-implicit-bool-conversion] + 80 | } else if (!a_tumor && !b_tumor) { // two CAR-T cells + | ~^ + | ( == nullptr) +/github/workspace/src/forces_tumor_cart.cc:80:29: warning: implicit conversion 'const TumorCell *' -> 'bool' [readability-implicit-bool-conversion] + 80 | } else if (!a_tumor && !b_tumor) { // two CAR-T cells + | ~^ + | ( == nullptr) +/github/workspace/src/forces_tumor_cart.cc:94:3: warning: variable 'max_interaction_distance' of type 'double' can be declared 'const' [misc-const-correctness] + 94 | double max_interaction_distance = kMaxRelativeAdhesionDistance * R; + | ^ + | const +/github/workspace/src/forces_tumor_cart.cc:107:12: warning: variable 'adhesion' is not initialized [cppcoreguidelines-init-variables] + 107 | double adhesion; + | ^ + | = NAN +/github/workspace/src/forces_tumor_cart.cc:108:9: warning: implicit conversion 'const TumorCell *' -> 'bool' [readability-implicit-bool-conversion] + 108 | if (a_tumor && b_tumor) { // two tumor cells + | ^ + | ( != nullptr) +/github/workspace/src/forces_tumor_cart.cc:108:20: warning: implicit conversion 'const TumorCell *' -> 'bool' [readability-implicit-bool-conversion] + 108 | if (a_tumor && b_tumor) { // two tumor cells + | ^ + | ( != nullptr) +/github/workspace/src/forces_tumor_cart.cc:110:17: warning: implicit conversion 'const TumorCell *' -> 'bool' [readability-implicit-bool-conversion] + 110 | } else if (!a_tumor && !b_tumor) { // two CAR-T cells + | ~^ + | ( == nullptr) +/github/workspace/src/forces_tumor_cart.cc:110:29: warning: implicit conversion 'const TumorCell *' -> 'bool' [readability-implicit-bool-conversion] + 110 | } else if (!a_tumor && !b_tumor) { // two CAR-T cells + | ~^ + | ( == nullptr) +/github/workspace/src/forces_tumor_cart.cc:125:26: warning: 1e-16 is a magic number; consider replacing it with a named constant [cppcoreguidelines-avoid-magic-numbers,readability-magic-numbers] + 125 | if (std::abs(temp_r) < 1e-16) { + | ^ +/github/workspace/src/forces_tumor_cart.cc:128:3: warning: variable 'force_magnitude' of type 'double' can be declared 'const' [misc-const-correctness] + 128 | double force_magnitude = temp_r / distance; + | ^ + | const +/github/workspace/src/forces_tumor_cart.cc:159:1: warning: no header providing "bdm::InteractionForce" is directly included [misc-include-cleaner] + 25 | InteractionForce* InteractionVelocity::NewCopy() const { + | ^ +/github/workspace/src/forces_tumor_cart.cc:160:3: warning: returning a newly created resource of type 'InteractionForce *' or 'gsl::owner<>' from a function whose return type is not 'gsl::owner<>' [cppcoreguidelines-owning-memory] + 160 | return new InteractionVelocity(); + | ^~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~ +src/diffusion_thomas_algorithm.cc: clang-tidy-18 -p=build -line-filter=[{\"name\":\"src/cart_cell.cc\",\"lines\":[[1,321]]},{\"name\":\"src/cart_cell.h\",\"lines\":[[1,250]]},{\"name\":\"src/cart_tumor.cc\",\"lines\":[[1,133]]},{\"name\":\"src/cart_tumor.h\",\"lines\":[[1,36]]},{\"name\":\"src/diffusion_thomas_algorithm.cc\",\"lines\":[[1,319]]},{\"name\":\"src/diffusion_thomas_algorithm.h\",\"lines\":[[1,194]]},{\"name\":\"src/forces_tumor_cart.cc\",\"lines\":[[1,163]]},{\"name\":\"src/forces_tumor_cart.h\",\"lines\":[[1,60]]},{\"name\":\"src/hyperparams.h\",\"lines\":[[1,216]]},{\"name\":\"src/tumor_cell.cc\",\"lines\":[[1,673]]},{\"name\":\"src/tumor_cell.h\",\"lines\":[[1,301]]},{\"name\":\"src/utils_aux.cc\",\"lines\":[[1,176]]},{\"name\":\"src/utils_aux.h\",\"lines\":[[1,96]]}] --enable-check-profile -store-check-profile=clang-tidy-review-profile --config-file=.clang-tidy --export-fixes=/tmp/tmpb2o1s_sd/tmp5joylp3d.yaml src/diffusion_thomas_algorithm.cc +102368 warnings generated. +Suppressed 102373 warnings (102211 in non-user code, 162 NOLINT). +Use -header-filter=.* to display errors from all non-system headers. Use -system-headers to display errors from system headers as well. +/github/workspace/src/diffusion_thomas_algorithm.cc:22:1: warning: #includes are not sorted properly [llvm-include-order] + 22 | #include + | ^ ~~~~~~~~ + | "cart_cell.h" + 23 | #include + | ~~~~~~~~~ + | "hyperparams.h" + 24 | #include + | ~~~~~~~~ + | "tumor_cell.h" + 25 | #include "cart_cell.h" + | ~~~~~~~~~~~~~ + | + 26 | #include "hyperparams.h" + | ~~~~~~~~~~~~~~~ + | + 27 | #include "tumor_cell.h" + | ~~~~~~~~~~~~~~ + | +/github/workspace/src/diffusion_thomas_algorithm.cc:32:51: warning: no header providing "bdm::real_t" is directly included [misc-include-cleaner] + 26 | #include "hyperparams.h" + 27 | #include "tumor_cell.h" + 28 | + 29 | namespace bdm { + 30 | + 31 | DiffusionThomasAlgorithm::DiffusionThomasAlgorithm( + 32 | int substance_id, std::string substance_name, real_t dc, real_t mu, + | ^ +/github/workspace/src/diffusion_thomas_algorithm.cc:33:5: warning: 2 adjacent parameters of 'DiffusionThomasAlgorithm' of convertible types are easily swapped by mistake [bugprone-easily-swappable-parameters] + 33 | int resolution, real_t dt, bool dirichlet_border) // time step + | ^~~~~~~~~~~~~~~~~~~~~~~~~ +/github/workspace/src/diffusion_thomas_algorithm.cc:33:9: note: the first parameter in the range is 'resolution' + 33 | int resolution, real_t dt, bool dirichlet_border) // time step + | ^~~~~~~~~~ +/github/workspace/src/diffusion_thomas_algorithm.cc:33:28: note: the last parameter in the range is 'dt' + 33 | int resolution, real_t dt, bool dirichlet_border) // time step + | ^~ +/github/workspace/src/diffusion_thomas_algorithm.cc:33:5: note: + 33 | int resolution, real_t dt, bool dirichlet_border) // time step + | ^ +/github/workspace/src/diffusion_thomas_algorithm.cc:33:21: note: 'int' and 'real_t' may be implicitly converted: 'int' -> 'real_t' (as 'double'), 'real_t' (as 'double') -> 'int' + 33 | int resolution, real_t dt, bool dirichlet_border) // time step + | ^ +/github/workspace/src/diffusion_thomas_algorithm.cc:34:7: warning: no header providing "bdm::DiffusionGrid" is directly included [misc-include-cleaner] + 26 | #include "hyperparams.h" + 27 | #include "tumor_cell.h" + 28 | + 29 | namespace bdm { + 30 | + 31 | DiffusionThomasAlgorithm::DiffusionThomasAlgorithm( + 32 | int substance_id, std::string substance_name, real_t dc, real_t mu, + 33 | int resolution, real_t dt, bool dirichlet_border) // time step + 34 | : DiffusionGrid(substance_id, std::move(substance_name), dc, mu, + | ^ +/github/workspace/src/diffusion_thomas_algorithm.cc:38:3: warning: 'resolution_' should be initialized in a member initializer of the constructor [cppcoreguidelines-prefer-member-initializer] + 35 | resolution) { + | , resolution_(GetResolution()) + 36 | SetTimeStep(dt); + 37 | // num of voxels in each direction + 38 | resolution_ = GetResolution(); + | ^~~~~~~~~~~~~~~~~~~~~~~~~~~~~~ +/github/workspace/src/diffusion_thomas_algorithm.cc:40:3: warning: 'd_space_' should be initialized in a member initializer of the constructor [cppcoreguidelines-prefer-member-initializer] + 35 | resolution) { + | , d_space_(kBoundedSpaceLength / resolution_) + 36 | SetTimeStep(dt); + 37 | // num of voxels in each direction + 38 | resolution_ = GetResolution(); + 39 | // Voxel side length in micrometers + 40 | d_space_ = kBoundedSpaceLength / resolution_; + | ^~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~ +/github/workspace/src/diffusion_thomas_algorithm.cc:40:14: warning: result of integer division used in a floating point context; possible loss of precision [bugprone-integer-division] + 40 | d_space_ = kBoundedSpaceLength / resolution_; + | ^ +/github/workspace/src/diffusion_thomas_algorithm.cc:40:14: warning: narrowing conversion from 'size_t' (aka 'unsigned long') to 'real_t' (aka 'double') [bugprone-narrowing-conversions,cppcoreguidelines-narrowing-conversions] +/github/workspace/src/diffusion_thomas_algorithm.cc:42:3: warning: 'dirichlet_border_' should be initialized in a member initializer of the constructor [cppcoreguidelines-prefer-member-initializer] + 35 | resolution) { + | , dirichlet_border_(dirichlet_border) + 36 | SetTimeStep(dt); + 37 | // num of voxels in each direction + 38 | resolution_ = GetResolution(); + 39 | // Voxel side length in micrometers + 40 | d_space_ = kBoundedSpaceLength / resolution_; + 41 | + 42 | dirichlet_border_ = dirichlet_border; + | ^~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~ +/github/workspace/src/diffusion_thomas_algorithm.cc:44:3: warning: 'jump_i_' should be initialized in a member initializer of the constructor [cppcoreguidelines-prefer-member-initializer] + 35 | resolution) { + | , jump_i_(1) + 36 | SetTimeStep(dt); + 37 | // num of voxels in each direction + 38 | resolution_ = GetResolution(); + 39 | // Voxel side length in micrometers + 40 | d_space_ = kBoundedSpaceLength / resolution_; + 41 | + 42 | dirichlet_border_ = dirichlet_border; + 43 | + 44 | jump_i_ = 1; + | ^~~~~~~~~~~~ +/github/workspace/src/diffusion_thomas_algorithm.cc:45:3: warning: 'jump_j_' should be initialized in a member initializer of the constructor [cppcoreguidelines-prefer-member-initializer] + 35 | resolution) { + | , jump_j_(resolution_) + 36 | SetTimeStep(dt); + 37 | // num of voxels in each direction + 38 | resolution_ = GetResolution(); + 39 | // Voxel side length in micrometers + 40 | d_space_ = kBoundedSpaceLength / resolution_; + 41 | + 42 | dirichlet_border_ = dirichlet_border; + 43 | + 44 | jump_i_ = 1; + 45 | jump_j_ = resolution_; + | ^~~~~~~~~~~~~~~~~~~~~~ +/github/workspace/src/diffusion_thomas_algorithm.cc:45:13: warning: narrowing conversion from 'size_t' (aka 'unsigned long') to signed type 'int' is implementation-defined [bugprone-narrowing-conversions,cppcoreguidelines-narrowing-conversions] + 45 | jump_j_ = resolution_; + | ^ +/github/workspace/src/diffusion_thomas_algorithm.cc:46:3: warning: 'jump_k_' should be initialized in a member initializer of the constructor [cppcoreguidelines-prefer-member-initializer] + 35 | resolution) { + | , jump_k_(resolution_ * resolution_) + 36 | SetTimeStep(dt); + 37 | // num of voxels in each direction + 38 | resolution_ = GetResolution(); + 39 | // Voxel side length in micrometers + 40 | d_space_ = kBoundedSpaceLength / resolution_; + 41 | + 42 | dirichlet_border_ = dirichlet_border; + 43 | + 44 | jump_i_ = 1; + 45 | jump_j_ = resolution_; + 46 | jump_k_ = resolution_ * resolution_; + | ^~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~ +/github/workspace/src/diffusion_thomas_algorithm.cc:46:13: warning: narrowing conversion from 'size_t' (aka 'unsigned long') to signed type 'int' is implementation-defined [bugprone-narrowing-conversions,cppcoreguidelines-narrowing-conversions] + 46 | jump_k_ = resolution_ * resolution_; + | ^ +/github/workspace/src/diffusion_thomas_algorithm.cc:49:3: warning: 'constant1_' should be initialized in a member initializer of the constructor [cppcoreguidelines-prefer-member-initializer] + 35 | resolution) { + | , constant1_(dc) + 36 | SetTimeStep(dt); + 37 | // num of voxels in each direction + 38 | resolution_ = GetResolution(); + 39 | // Voxel side length in micrometers + 40 | d_space_ = kBoundedSpaceLength / resolution_; + 41 | + 42 | dirichlet_border_ = dirichlet_border; + 43 | + 44 | jump_i_ = 1; + 45 | jump_j_ = resolution_; + 46 | jump_k_ = resolution_ * resolution_; + 47 | + 48 | // all diffusion coefficients are the same for all directions (isotropic) + 49 | constant1_ = dc; + | ^~~~~~~~~~~~~~~~ +/github/workspace/src/diffusion_thomas_algorithm.cc:51:3: warning: 'constant1a_' should be initialized in a member initializer of the constructor [cppcoreguidelines-prefer-member-initializer] + 35 | constant1a_ = -constant1_; + | ^~~~~~~~~~~~~~~~~~~~~~~~~~ +/github/workspace/src/diffusion_thomas_algorithm.cc:53:3: warning: 'constant2_' should be initialized in a member initializer of the constructor [cppcoreguidelines-prefer-member-initializer] + 35 | constant2_ = mu; + | ^~~~~~~~~~~~~~~~ +/github/workspace/src/diffusion_thomas_algorithm.cc:55:22: warning: 3.0 is a magic number; consider replacing it with a named constant [cppcoreguidelines-avoid-magic-numbers,readability-magic-numbers] + 55 | constant2_ *= dt / 3.0; + | ^ +/github/workspace/src/diffusion_thomas_algorithm.cc:57:3: warning: 'constant3_' should be initialized in a member initializer of the constructor [cppcoreguidelines-prefer-member-initializer] + 35 | constant3_ = 1.0 + 2 * constant1_ + constant2_; + | ^~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~ +/github/workspace/src/diffusion_thomas_algorithm.cc:58:3: warning: 'constant3a_' should be initialized in a member initializer of the constructor [cppcoreguidelines-prefer-member-initializer] + 35 | constant3a_ = 1.0 + constant1_ + constant2_; + | ^~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~ +/github/workspace/src/diffusion_thomas_algorithm.cc:75:32: warning: method 'InitializeThomasAlgorithmVectors' can be made const [readability-make-member-function-const] + 75 | void DiffusionThomasAlgorithm::InitializeThomasAlgorithmVectors( + | ^ + 76 | std::vector& thomas_denom, std::vector& thomas_c) { + | const +/github/workspace/src/diffusion_thomas_algorithm.cc:91:3: warning: variable 'origin' of type 'real_t' (aka 'double') can be declared 'const' [misc-const-correctness] + 91 | real_t origin = GetDimensionsPtr()[0]; + | ^ + | const +/github/workspace/src/diffusion_thomas_algorithm.cc:91:19: warning: do not use pointer arithmetic [cppcoreguidelines-pro-bounds-pointer-arithmetic] + 91 | real_t origin = GetDimensionsPtr()[0]; + | ^ +/github/workspace/src/diffusion_thomas_algorithm.cc:92:3: warning: variable 'simulated_time' of type 'real_t' (aka 'double') can be declared 'const' [misc-const-correctness] + 92 | real_t simulated_time = GetSimulatedTime(); + | ^ + | const +/github/workspace/src/diffusion_thomas_algorithm.cc:98:10: warning: no header providing "size_t" is directly included [misc-include-cleaner] + 22 | for (size_t y = 0; y < resolution_; y++) { + | ^ +/github/workspace/src/diffusion_thomas_algorithm.cc:100:9: warning: variable 'real_x' of type 'real_t' (aka 'double') can be declared 'const' [misc-const-correctness] + 100 | real_t real_x = origin + x * d_space_; + | ^ + | const +/github/workspace/src/diffusion_thomas_algorithm.cc:100:34: warning: narrowing conversion from 'size_t' (aka 'unsigned long') to 'real_t' (aka 'double') [bugprone-narrowing-conversions,cppcoreguidelines-narrowing-conversions] + 100 | real_t real_x = origin + x * d_space_; + | ^ +/github/workspace/src/diffusion_thomas_algorithm.cc:101:9: warning: variable 'real_y' of type 'real_t' (aka 'double') can be declared 'const' [misc-const-correctness] + 101 | real_t real_y = origin + y * d_space_; + | ^ + | const +/github/workspace/src/diffusion_thomas_algorithm.cc:101:34: warning: narrowing conversion from 'size_t' (aka 'unsigned long') to 'real_t' (aka 'double') [bugprone-narrowing-conversions,cppcoreguidelines-narrowing-conversions] + 101 | real_t real_y = origin + y * d_space_; + | ^ +/github/workspace/src/diffusion_thomas_algorithm.cc:104:34: warning: narrowing conversion from 'size_t' (aka 'unsigned long') to 'real_t' (aka 'double') [bugprone-narrowing-conversions,cppcoreguidelines-narrowing-conversions] + 104 | real_t real_z = origin + z * d_space_; + | ^ +/github/workspace/src/diffusion_thomas_algorithm.cc:105:26: warning: narrowing conversion from 'size_t' (aka 'unsigned long') to 'real_t' (aka 'double') [bugprone-narrowing-conversions,cppcoreguidelines-narrowing-conversions] + 105 | SetConcentration(x, y, z, + | ^ +/github/workspace/src/diffusion_thomas_algorithm.cc:105:29: warning: narrowing conversion from 'size_t' (aka 'unsigned long') to 'real_t' (aka 'double') [bugprone-narrowing-conversions,cppcoreguidelines-narrowing-conversions] + 105 | SetConcentration(x, y, z, + | ^ +/github/workspace/src/diffusion_thomas_algorithm.cc:105:32: warning: narrowing conversion from 'size_t' (aka 'unsigned long') to 'real_t' (aka 'double') [bugprone-narrowing-conversions,cppcoreguidelines-narrowing-conversions] + 105 | SetConcentration(x, y, z, + | ^ +/github/workspace/src/diffusion_thomas_algorithm.cc:110:27: warning: narrowing conversion from 'size_t' (aka 'unsigned long') to 'real_t' (aka 'double') [bugprone-narrowing-conversions,cppcoreguidelines-narrowing-conversions] + 110 | real_z = origin + z * d_space_; + | ^ +/github/workspace/src/diffusion_thomas_algorithm.cc:111:26: warning: narrowing conversion from 'size_t' (aka 'unsigned long') to 'real_t' (aka 'double') [bugprone-narrowing-conversions,cppcoreguidelines-narrowing-conversions] + 111 | SetConcentration(x, y, z, + | ^ +/github/workspace/src/diffusion_thomas_algorithm.cc:111:29: warning: narrowing conversion from 'size_t' (aka 'unsigned long') to 'real_t' (aka 'double') [bugprone-narrowing-conversions,cppcoreguidelines-narrowing-conversions] + 111 | SetConcentration(x, y, z, + | ^ +/github/workspace/src/diffusion_thomas_algorithm.cc:111:32: warning: narrowing conversion from 'size_t' (aka 'unsigned long') to 'real_t' (aka 'double') [bugprone-narrowing-conversions,cppcoreguidelines-narrowing-conversions] + 111 | SetConcentration(x, y, z, + | ^ +/github/workspace/src/diffusion_thomas_algorithm.cc:120:9: warning: variable 'real_x' of type 'real_t' (aka 'double') can be declared 'const' [misc-const-correctness] + 120 | real_t real_x = origin + x * d_space_; + | ^ + | const +/github/workspace/src/diffusion_thomas_algorithm.cc:120:34: warning: narrowing conversion from 'size_t' (aka 'unsigned long') to 'real_t' (aka 'double') [bugprone-narrowing-conversions,cppcoreguidelines-narrowing-conversions] + 120 | real_t real_x = origin + x * d_space_; + | ^ +/github/workspace/src/diffusion_thomas_algorithm.cc:121:9: warning: variable 'real_z' of type 'real_t' (aka 'double') can be declared 'const' [misc-const-correctness] + 121 | real_t real_z = origin + z * d_space_; + | ^ + | const +/github/workspace/src/diffusion_thomas_algorithm.cc:121:34: warning: narrowing conversion from 'size_t' (aka 'unsigned long') to 'real_t' (aka 'double') [bugprone-narrowing-conversions,cppcoreguidelines-narrowing-conversions] + 121 | real_t real_z = origin + z * d_space_; + | ^ +/github/workspace/src/diffusion_thomas_algorithm.cc:124:34: warning: narrowing conversion from 'size_t' (aka 'unsigned long') to 'real_t' (aka 'double') [bugprone-narrowing-conversions,cppcoreguidelines-narrowing-conversions] + 124 | real_t real_y = origin + y * d_space_; + | ^ +/github/workspace/src/diffusion_thomas_algorithm.cc:125:26: warning: narrowing conversion from 'size_t' (aka 'unsigned long') to 'real_t' (aka 'double') [bugprone-narrowing-conversions,cppcoreguidelines-narrowing-conversions] + 125 | SetConcentration(x, y, z, + | ^ +/github/workspace/src/diffusion_thomas_algorithm.cc:125:29: warning: narrowing conversion from 'size_t' (aka 'unsigned long') to 'real_t' (aka 'double') [bugprone-narrowing-conversions,cppcoreguidelines-narrowing-conversions] + 125 | SetConcentration(x, y, z, + | ^ +/github/workspace/src/diffusion_thomas_algorithm.cc:125:32: warning: narrowing conversion from 'size_t' (aka 'unsigned long') to 'real_t' (aka 'double') [bugprone-narrowing-conversions,cppcoreguidelines-narrowing-conversions] + 125 | SetConcentration(x, y, z, + | ^ +/github/workspace/src/diffusion_thomas_algorithm.cc:130:27: warning: narrowing conversion from 'size_t' (aka 'unsigned long') to 'real_t' (aka 'double') [bugprone-narrowing-conversions,cppcoreguidelines-narrowing-conversions] + 130 | real_y = origin + y * d_space_; + | ^ +/github/workspace/src/diffusion_thomas_algorithm.cc:131:26: warning: narrowing conversion from 'size_t' (aka 'unsigned long') to 'real_t' (aka 'double') [bugprone-narrowing-conversions,cppcoreguidelines-narrowing-conversions] + 131 | SetConcentration(x, y, z, + | ^ +/github/workspace/src/diffusion_thomas_algorithm.cc:131:29: warning: narrowing conversion from 'size_t' (aka 'unsigned long') to 'real_t' (aka 'double') [bugprone-narrowing-conversions,cppcoreguidelines-narrowing-conversions] + 131 | SetConcentration(x, y, z, + | ^ +/github/workspace/src/diffusion_thomas_algorithm.cc:131:32: warning: narrowing conversion from 'size_t' (aka 'unsigned long') to 'real_t' (aka 'double') [bugprone-narrowing-conversions,cppcoreguidelines-narrowing-conversions] + 131 | SetConcentration(x, y, z, + | ^ +/github/workspace/src/diffusion_thomas_algorithm.cc:140:9: warning: variable 'real_y' of type 'real_t' (aka 'double') can be declared 'const' [misc-const-correctness] + 140 | real_t real_y = origin + y * d_space_; + | ^ + | const +/github/workspace/src/diffusion_thomas_algorithm.cc:140:34: warning: narrowing conversion from 'size_t' (aka 'unsigned long') to 'real_t' (aka 'double') [bugprone-narrowing-conversions,cppcoreguidelines-narrowing-conversions] + 140 | real_t real_y = origin + y * d_space_; + | ^ +/github/workspace/src/diffusion_thomas_algorithm.cc:141:9: warning: variable 'real_z' of type 'real_t' (aka 'double') can be declared 'const' [misc-const-correctness] + 141 | real_t real_z = origin + z * d_space_; + | ^ + | const +/github/workspace/src/diffusion_thomas_algorithm.cc:141:34: warning: narrowing conversion from 'size_t' (aka 'unsigned long') to 'real_t' (aka 'double') [bugprone-narrowing-conversions,cppcoreguidelines-narrowing-conversions] + 141 | real_t real_z = origin + z * d_space_; + | ^ +/github/workspace/src/diffusion_thomas_algorithm.cc:144:34: warning: narrowing conversion from 'size_t' (aka 'unsigned long') to 'real_t' (aka 'double') [bugprone-narrowing-conversions,cppcoreguidelines-narrowing-conversions] + 144 | real_t real_x = origin + x * d_space_; + | ^ +/github/workspace/src/diffusion_thomas_algorithm.cc:145:26: warning: narrowing conversion from 'size_t' (aka 'unsigned long') to 'real_t' (aka 'double') [bugprone-narrowing-conversions,cppcoreguidelines-narrowing-conversions] + 145 | SetConcentration(x, y, z, + | ^ +/github/workspace/src/diffusion_thomas_algorithm.cc:145:29: warning: narrowing conversion from 'size_t' (aka 'unsigned long') to 'real_t' (aka 'double') [bugprone-narrowing-conversions,cppcoreguidelines-narrowing-conversions] + 145 | SetConcentration(x, y, z, + | ^ +/github/workspace/src/diffusion_thomas_algorithm.cc:145:32: warning: narrowing conversion from 'size_t' (aka 'unsigned long') to 'real_t' (aka 'double') [bugprone-narrowing-conversions,cppcoreguidelines-narrowing-conversions] + 145 | SetConcentration(x, y, z, + | ^ +/github/workspace/src/diffusion_thomas_algorithm.cc:150:27: warning: narrowing conversion from 'size_t' (aka 'unsigned long') to 'real_t' (aka 'double') [bugprone-narrowing-conversions,cppcoreguidelines-narrowing-conversions] + 150 | real_x = origin + x * d_space_; + | ^ +/github/workspace/src/diffusion_thomas_algorithm.cc:151:26: warning: narrowing conversion from 'size_t' (aka 'unsigned long') to 'real_t' (aka 'double') [bugprone-narrowing-conversions,cppcoreguidelines-narrowing-conversions] + 151 | SetConcentration(x, y, z, + | ^ +/github/workspace/src/diffusion_thomas_algorithm.cc:151:29: warning: narrowing conversion from 'size_t' (aka 'unsigned long') to 'real_t' (aka 'double') [bugprone-narrowing-conversions,cppcoreguidelines-narrowing-conversions] + 151 | SetConcentration(x, y, z, + | ^ +/github/workspace/src/diffusion_thomas_algorithm.cc:151:32: warning: narrowing conversion from 'size_t' (aka 'unsigned long') to 'real_t' (aka 'double') [bugprone-narrowing-conversions,cppcoreguidelines-narrowing-conversions] + 151 | SetConcentration(x, y, z, + | ^ +/github/workspace/src/diffusion_thomas_algorithm.cc:161:39: warning: do not use pointer arithmetic [cppcoreguidelines-pro-bounds-pointer-arithmetic] + 161 | ChangeConcentrationBy(idx, amount - GetAllConcentrations()[idx], + | ^ +/github/workspace/src/diffusion_thomas_algorithm.cc:162:25: warning: no header providing "bdm::InteractionMode" is directly included [misc-include-cleaner] + 162 | InteractionMode::kAdditive, false); + | ^ +/github/workspace/src/diffusion_thomas_algorithm.cc:189:32: warning: function 'DiffuseChemical' has cognitive complexity of 31 (threshold 25) [readability-function-cognitive-complexity] + 189 | void DiffusionThomasAlgorithm::DiffuseChemical(real_t dt) { + | ^ +/github/workspace/src/diffusion_thomas_algorithm.cc:192:3: note: +1, including nesting penalty of 0, nesting level increased to 1 + 192 | if (dirichlet_border_) { + | ^ +/github/workspace/src/diffusion_thomas_algorithm.cc:198:3: note: +1, including nesting penalty of 0, nesting level increased to 1 + 198 | for (unsigned int k = 0; k < resolution_; k++) { + | ^ +/github/workspace/src/diffusion_thomas_algorithm.cc:199:5: note: +2, including nesting penalty of 1, nesting level increased to 2 + 199 | for (unsigned int j = 0; j < resolution_; j++) { + | ^ +/github/workspace/src/diffusion_thomas_algorithm.cc:204:7: note: +3, including nesting penalty of 2, nesting level increased to 3 + 204 | for (unsigned int i = 1; i < resolution_; i++) { + | ^ +/github/workspace/src/diffusion_thomas_algorithm.cc:212:7: note: +3, including nesting penalty of 2, nesting level increased to 3 + 212 | for (int i = resolution_ - 2; i >= 0; i--) { + | ^ +/github/workspace/src/diffusion_thomas_algorithm.cc:222:3: note: +1, including nesting penalty of 0, nesting level increased to 1 + 222 | if (dirichlet_border_) { + | ^ +/github/workspace/src/diffusion_thomas_algorithm.cc:228:3: note: +1, including nesting penalty of 0, nesting level increased to 1 + 228 | for (unsigned int k = 0; k < resolution_; k++) { + | ^ +/github/workspace/src/diffusion_thomas_algorithm.cc:229:5: note: +2, including nesting penalty of 1, nesting level increased to 2 + 229 | for (unsigned int i = 0; i < resolution_; i++) { + | ^ +/github/workspace/src/diffusion_thomas_algorithm.cc:234:7: note: +3, including nesting penalty of 2, nesting level increased to 3 + 234 | for (unsigned int j = 1; j < resolution_; j++) { + | ^ +/github/workspace/src/diffusion_thomas_algorithm.cc:242:7: note: +3, including nesting penalty of 2, nesting level increased to 3 + 242 | for (int j = resolution_ - 2; j >= 0; j--) { + | ^ +/github/workspace/src/diffusion_thomas_algorithm.cc:252:3: note: +1, including nesting penalty of 0, nesting level increased to 1 + 252 | if (dirichlet_border_) { + | ^ +/github/workspace/src/diffusion_thomas_algorithm.cc:258:3: note: +1, including nesting penalty of 0, nesting level increased to 1 + 258 | for (unsigned int j = 0; j < resolution_; j++) { + | ^ +/github/workspace/src/diffusion_thomas_algorithm.cc:259:5: note: +2, including nesting penalty of 1, nesting level increased to 2 + 259 | for (unsigned int i = 0; i < resolution_; i++) { + | ^ +/github/workspace/src/diffusion_thomas_algorithm.cc:263:7: note: +3, including nesting penalty of 2, nesting level increased to 3 + 263 | for (unsigned int k = 1; k < resolution_; k++) { + | ^ +/github/workspace/src/diffusion_thomas_algorithm.cc:271:7: note: +3, including nesting penalty of 2, nesting level increased to 3 + 271 | for (int k = resolution_ - 2; k >= 0; k--) { + | ^ +/github/workspace/src/diffusion_thomas_algorithm.cc:280:3: note: +1, including nesting penalty of 0, nesting level increased to 1 + 280 | if (dirichlet_border_) { + | ^ +/github/workspace/src/diffusion_thomas_algorithm.cc:189:55: warning: parameter 'dt' is unused [misc-unused-parameters] + 189 | void DiffusionThomasAlgorithm::DiffuseChemical(real_t dt) { + | ^~ + | /*dt*/ +/github/workspace/src/diffusion_thomas_algorithm.cc:200:17: warning: narrowing conversion from 'size_t' (aka 'unsigned long') to signed type 'int' is implementation-defined [bugprone-narrowing-conversions,cppcoreguidelines-narrowing-conversions] + 200 | int ind = GetBoxIndex(0, j, k); + | ^ +/github/workspace/src/diffusion_thomas_algorithm.cc:202:29: warning: do not use pointer arithmetic [cppcoreguidelines-pro-bounds-pointer-arithmetic] + 202 | SetConcentration(ind, GetAllConcentrations()[ind] / thomas_denom_x_[0]); + | ^ +/github/workspace/src/diffusion_thomas_algorithm.cc:205:15: warning: narrowing conversion from 'size_t' (aka 'unsigned long') to signed type 'int' is implementation-defined [bugprone-narrowing-conversions,cppcoreguidelines-narrowing-conversions] + 205 | ind = GetBoxIndex(i, j, k); + | ^ +/github/workspace/src/diffusion_thomas_algorithm.cc:206:9: warning: 'auto *all_concentrations' can be declared as 'const auto *all_concentrations' [readability-qualified-auto] + 206 | auto* all_concentrations = GetAllConcentrations(); + | ^ + | const +/github/workspace/src/diffusion_thomas_algorithm.cc:207:32: warning: do not use pointer arithmetic [cppcoreguidelines-pro-bounds-pointer-arithmetic] + 207 | SetConcentration(ind, (all_concentrations[ind] + + | ^ +/github/workspace/src/diffusion_thomas_algorithm.cc:208:45: warning: do not use pointer arithmetic [cppcoreguidelines-pro-bounds-pointer-arithmetic] + 208 | constant1_ * all_concentrations[ind - jump_i_]) / + | ^ +/github/workspace/src/diffusion_thomas_algorithm.cc:212:20: warning: narrowing conversion from 'size_t' (aka 'unsigned long') to signed type 'int' is implementation-defined [bugprone-narrowing-conversions,cppcoreguidelines-narrowing-conversions] + 212 | for (int i = resolution_ - 2; i >= 0; i--) { + | ^ +/github/workspace/src/diffusion_thomas_algorithm.cc:213:15: warning: narrowing conversion from 'size_t' (aka 'unsigned long') to signed type 'int' is implementation-defined [bugprone-narrowing-conversions,cppcoreguidelines-narrowing-conversions] + 213 | ind = GetBoxIndex(i, j, k); + | ^ +/github/workspace/src/diffusion_thomas_algorithm.cc:214:9: warning: 'auto *all_concentrations' can be declared as 'const auto *all_concentrations' [readability-qualified-auto] + 214 | auto* all_concentrations = GetAllConcentrations(); + | ^ + | const +/github/workspace/src/diffusion_thomas_algorithm.cc:216:18: warning: do not use pointer arithmetic [cppcoreguidelines-pro-bounds-pointer-arithmetic] + 216 | ind, all_concentrations[ind] - + | ^ +/github/workspace/src/diffusion_thomas_algorithm.cc:217:39: warning: do not use pointer arithmetic [cppcoreguidelines-pro-bounds-pointer-arithmetic] + 217 | thomas_c_x_[i] * all_concentrations[ind + jump_i_]); + | ^ +/github/workspace/src/diffusion_thomas_algorithm.cc:230:17: warning: narrowing conversion from 'size_t' (aka 'unsigned long') to signed type 'int' is implementation-defined [bugprone-narrowing-conversions,cppcoreguidelines-narrowing-conversions] + 230 | int ind = GetBoxIndex(i, 0, k); + | ^ +/github/workspace/src/diffusion_thomas_algorithm.cc:232:29: warning: do not use pointer arithmetic [cppcoreguidelines-pro-bounds-pointer-arithmetic] + 232 | SetConcentration(ind, GetAllConcentrations()[ind] / thomas_denom_y_[0]); + | ^ +/github/workspace/src/diffusion_thomas_algorithm.cc:235:15: warning: narrowing conversion from 'size_t' (aka 'unsigned long') to signed type 'int' is implementation-defined [bugprone-narrowing-conversions,cppcoreguidelines-narrowing-conversions] + 235 | ind = GetBoxIndex(i, j, k); + | ^ +/github/workspace/src/diffusion_thomas_algorithm.cc:236:9: warning: 'auto *all_concentrations' can be declared as 'const auto *all_concentrations' [readability-qualified-auto] + 236 | auto* all_concentrations = GetAllConcentrations(); + | ^ + | const +/github/workspace/src/diffusion_thomas_algorithm.cc:237:32: warning: do not use pointer arithmetic [cppcoreguidelines-pro-bounds-pointer-arithmetic] + 237 | SetConcentration(ind, (all_concentrations[ind] + + | ^ +/github/workspace/src/diffusion_thomas_algorithm.cc:238:45: warning: do not use pointer arithmetic [cppcoreguidelines-pro-bounds-pointer-arithmetic] + 238 | constant1_ * all_concentrations[ind - jump_j_]) / + | ^ +/github/workspace/src/diffusion_thomas_algorithm.cc:242:20: warning: narrowing conversion from 'size_t' (aka 'unsigned long') to signed type 'int' is implementation-defined [bugprone-narrowing-conversions,cppcoreguidelines-narrowing-conversions] + 242 | for (int j = resolution_ - 2; j >= 0; j--) { + | ^ +/github/workspace/src/diffusion_thomas_algorithm.cc:243:15: warning: narrowing conversion from 'size_t' (aka 'unsigned long') to signed type 'int' is implementation-defined [bugprone-narrowing-conversions,cppcoreguidelines-narrowing-conversions] + 243 | ind = GetBoxIndex(i, j, k); + | ^ +/github/workspace/src/diffusion_thomas_algorithm.cc:244:9: warning: 'auto *all_concentrations' can be declared as 'const auto *all_concentrations' [readability-qualified-auto] + 244 | auto* all_concentrations = GetAllConcentrations(); + | ^ + | const +/github/workspace/src/diffusion_thomas_algorithm.cc:246:18: warning: do not use pointer arithmetic [cppcoreguidelines-pro-bounds-pointer-arithmetic] + 246 | ind, all_concentrations[ind] - + | ^ +/github/workspace/src/diffusion_thomas_algorithm.cc:247:39: warning: do not use pointer arithmetic [cppcoreguidelines-pro-bounds-pointer-arithmetic] + 247 | thomas_c_y_[j] * all_concentrations[ind + jump_j_]); + | ^ +/github/workspace/src/diffusion_thomas_algorithm.cc:260:17: warning: narrowing conversion from 'size_t' (aka 'unsigned long') to signed type 'int' is implementation-defined [bugprone-narrowing-conversions,cppcoreguidelines-narrowing-conversions] + 260 | int ind = GetBoxIndex(i, j, 0); + | ^ +/github/workspace/src/diffusion_thomas_algorithm.cc:261:29: warning: do not use pointer arithmetic [cppcoreguidelines-pro-bounds-pointer-arithmetic] + 261 | SetConcentration(ind, GetAllConcentrations()[ind] / thomas_denom_z_[0]); + | ^ +/github/workspace/src/diffusion_thomas_algorithm.cc:264:15: warning: narrowing conversion from 'size_t' (aka 'unsigned long') to signed type 'int' is implementation-defined [bugprone-narrowing-conversions,cppcoreguidelines-narrowing-conversions] + 264 | ind = GetBoxIndex(i, j, k); + | ^ +/github/workspace/src/diffusion_thomas_algorithm.cc:265:9: warning: 'auto *all_concentrations' can be declared as 'const auto *all_concentrations' [readability-qualified-auto] + 265 | auto* all_concentrations = GetAllConcentrations(); + | ^ + | const +/github/workspace/src/diffusion_thomas_algorithm.cc:266:32: warning: do not use pointer arithmetic [cppcoreguidelines-pro-bounds-pointer-arithmetic] + 266 | SetConcentration(ind, (all_concentrations[ind] + + | ^ +/github/workspace/src/diffusion_thomas_algorithm.cc:267:45: warning: do not use pointer arithmetic [cppcoreguidelines-pro-bounds-pointer-arithmetic] + 267 | constant1_ * all_concentrations[ind - jump_k_]) / + | ^ +/github/workspace/src/diffusion_thomas_algorithm.cc:271:20: warning: narrowing conversion from 'size_t' (aka 'unsigned long') to signed type 'int' is implementation-defined [bugprone-narrowing-conversions,cppcoreguidelines-narrowing-conversions] + 271 | for (int k = resolution_ - 2; k >= 0; k--) { + | ^ +/github/workspace/src/diffusion_thomas_algorithm.cc:272:15: warning: narrowing conversion from 'size_t' (aka 'unsigned long') to signed type 'int' is implementation-defined [bugprone-narrowing-conversions,cppcoreguidelines-narrowing-conversions] + 272 | ind = GetBoxIndex(i, j, k); + | ^ +/github/workspace/src/diffusion_thomas_algorithm.cc:273:9: warning: 'auto *all_concentrations' can be declared as 'const auto *all_concentrations' [readability-qualified-auto] + 273 | auto* all_concentrations = GetAllConcentrations(); + | ^ + | const +/github/workspace/src/diffusion_thomas_algorithm.cc:275:18: warning: do not use pointer arithmetic [cppcoreguidelines-pro-bounds-pointer-arithmetic] + 275 | ind, all_concentrations[ind] - + | ^ +/github/workspace/src/diffusion_thomas_algorithm.cc:276:39: warning: do not use pointer arithmetic [cppcoreguidelines-pro-bounds-pointer-arithmetic] + 276 | thomas_c_z_[k] * all_concentrations[ind + jump_k_]); + | ^ +/github/workspace/src/diffusion_thomas_algorithm.cc:287:3: warning: redundant return statement at the end of a function with a void return type [readability-redundant-control-flow] + 286 | + 287 | return; + | ^~~~~~~ + 288 | } +/github/workspace/src/diffusion_thomas_algorithm.cc:295:3: warning: variable 'current_time' of type 'real_t' (aka 'double') can be declared 'const' [misc-const-correctness] + 295 | real_t current_time = GetSimulatedTime(); + | ^ + | const +/github/workspace/src/diffusion_thomas_algorithm.cc:298:27: warning: lambda capture 'current_time' is not used [clang-diagnostic-unused-lambda-capture] + 298 | rm->ForEachAgent([this, current_time](bdm::Agent* agent) { + | ~~^~~~~~~~~~~~ +/github/workspace/src/diffusion_thomas_algorithm.cc:298:46: warning: no header providing "bdm::Agent" is directly included [misc-include-cleaner] + 26 | rm->ForEachAgent([this, current_time](bdm::Agent* agent) { + | ^ +/github/workspace/src/diffusion_thomas_algorithm.cc:302:7: warning: variable 'conc' of type 'real_t' (aka 'double') can be declared 'const' [misc-const-correctness] + 302 | real_t conc = this->GetValue(pos); + | ^ + | const +/github/workspace/src/diffusion_thomas_algorithm.cc:303:7: warning: variable 'new_conc' of type 'real_t' (aka 'double') can be declared 'const' [misc-const-correctness] + 303 | real_t new_conc = cell->ConsumeSecreteSubstance(GetContinuumId(), conc); + | ^ + | const +/github/workspace/src/diffusion_thomas_algorithm.cc:309:7: warning: variable 'conc' of type 'real_t' (aka 'double') can be declared 'const' [misc-const-correctness] + 309 | real_t conc = GetValue(pos); + | ^ + | const +/github/workspace/src/diffusion_thomas_algorithm.cc:310:7: warning: variable 'new_conc' of type 'real_t' (aka 'double') can be declared 'const' [misc-const-correctness] + 310 | real_t new_conc = cell->ConsumeSecreteSubstance(GetContinuumId(), conc); + | ^ + | const +/github/workspace/src/diffusion_thomas_algorithm.cc:316:3: warning: redundant return statement at the end of a function with a void return type [readability-redundant-control-flow] + 315 | + 316 | return; + | ^~~~~~~ + 317 | } +src/cart_tumor.cc: clang-tidy-18 -p=build -line-filter=[{\"name\":\"src/cart_cell.cc\",\"lines\":[[1,321]]},{\"name\":\"src/cart_cell.h\",\"lines\":[[1,250]]},{\"name\":\"src/cart_tumor.cc\",\"lines\":[[1,133]]},{\"name\":\"src/cart_tumor.h\",\"lines\":[[1,36]]},{\"name\":\"src/diffusion_thomas_algorithm.cc\",\"lines\":[[1,319]]},{\"name\":\"src/diffusion_thomas_algorithm.h\",\"lines\":[[1,194]]},{\"name\":\"src/forces_tumor_cart.cc\",\"lines\":[[1,163]]},{\"name\":\"src/forces_tumor_cart.h\",\"lines\":[[1,60]]},{\"name\":\"src/hyperparams.h\",\"lines\":[[1,216]]},{\"name\":\"src/tumor_cell.cc\",\"lines\":[[1,673]]},{\"name\":\"src/tumor_cell.h\",\"lines\":[[1,301]]},{\"name\":\"src/utils_aux.cc\",\"lines\":[[1,176]]},{\"name\":\"src/utils_aux.h\",\"lines\":[[1,96]]}] --enable-check-profile -store-check-profile=clang-tidy-review-profile --config-file=.clang-tidy --export-fixes=/tmp/tmpb2o1s_sd/tmp1umic79j.yaml src/cart_tumor.cc +103294 warnings generated. +Suppressed 103456 warnings (103271 in non-user code, 185 NOLINT). +Use -header-filter=.* to display errors from all non-system headers. Use -system-headers to display errors from system headers as well. +/github/workspace/src/cart_tumor.cc:22:1: warning: #includes are not sorted properly [llvm-include-order] + 22 | #include + | ^ ~~~~~~~~~~ + | "core/environment/uniform_grid_environment.h" + 23 | #include + | ~~~~~~~~ + | "core/operation/mechanical_forces_op.h" + 24 | #include + | ~~~~~~~~ + | "diffusion_thomas_algorithm.h" + 25 | #include "core/environment/uniform_grid_environment.h" + | ~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~ + | "forces_tumor_cart.h" + 26 | #include "core/operation/mechanical_forces_op.h" + | ~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~ + | "hyperparams.h" + 27 | #include "diffusion_thomas_algorithm.h" + | ~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~ + | "tumor_cell.h" + 28 | #include "forces_tumor_cart.h" + | ~~~~~~~~~~~~~~~~~~~~~ + | "utils_aux.h" + 29 | #include "hyperparams.h" + | ~~~~~~~~~~~~~~~ + | + 30 | #include "tumor_cell.h" + | ~~~~~~~~~~~~~~ + | + 31 | #include "utils_aux.h" + | ~~~~~~~~~~~~~ + | +/github/workspace/src/cart_tumor.cc:37:23: warning: no header providing "bdm::Param" is directly included [misc-include-cleaner] + 27 | #include "diffusion_thomas_algorithm.h" + 28 | #include "forces_tumor_cart.h" + 29 | #include "hyperparams.h" + 30 | #include "tumor_cell.h" + 31 | #include "utils_aux.h" + 32 | + 33 | namespace bdm { + 34 | + 35 | int Simulate(int argc, const char** argv) { + 36 | // Set simulation bounds + 37 | auto set_param = [](Param* param) { + | ^ +/github/workspace/src/cart_tumor.cc:40:24: warning: result of integer division used in a floating point context; possible loss of precision [bugprone-integer-division] + 40 | param->min_bound = -kBoundedSpaceLength / 2; + | ^ +/github/workspace/src/cart_tumor.cc:42:9: warning: result of integer division used in a floating point context; possible loss of precision [bugprone-integer-division] + 42 | kBoundedSpaceLength / 2; // Cube of 1000x1000x1000 centered at origin + | ^ +/github/workspace/src/cart_tumor.cc:46:3: warning: no header providing "bdm::Simulation" is directly included [misc-include-cleaner] + 27 | Simulation simulation(argc, argv, set_param); + | ^ +/github/workspace/src/cart_tumor.cc:54:7: warning: initializing non-owner argument of type 'InteractionForce *' with a newly created 'gsl::owner<>' [cppcoreguidelines-owning-memory] + 54 | new InteractionVelocity()); + | ^~~~~~~~~~~~~~~~~~~~~~~~~ +/github/workspace/src/cart_tumor.cc:59:21: warning: narrowing conversion from 'real_t' (aka 'double') to 'int32_t' (aka 'int') [bugprone-narrowing-conversions,cppcoreguidelines-narrowing-conversions] + 59 | env->SetBoxLength(kLengthBoxMechanics); + | ^ +/github/workspace/src/cart_tumor.cc:89:3: warning: no header providing "bdm::ModelInitializer" is directly included [misc-include-cleaner] + 26 | ModelInitializer::AddBoundaryConditions( + | ^ +/github/workspace/src/cart_tumor.cc:90:16: warning: no header providing "bdm::BoundaryConditionType" is directly included [misc-include-cleaner] + 25 | kOxygen, BoundaryConditionType::kDirichlet, + | ^ +/github/workspace/src/cart_tumor.cc:91:24: warning: no header providing "bdm::ConstantBoundaryCondition" is directly included [misc-include-cleaner] + 91 | std::make_unique( + | ^ +/github/workspace/src/cart_tumor.cc:102:53: warning: 3 adjacent parameters of 'operator()' of similar type ('real_t') are easily swapped by mistake [bugprone-easily-swappable-parameters] + 102 | ModelInitializer::InitializeSubstance(kOxygen, [](real_t x, real_t y, + | ^~~~~~~~~~~~~~~~~~~ + 103 | real_t z) { + | ~~~~~~~~ +/github/workspace/src/cart_tumor.cc:102:60: note: the first parameter in the range is 'x' + 102 | ModelInitializer::InitializeSubstance(kOxygen, [](real_t x, real_t y, + | ^ +/github/workspace/src/cart_tumor.cc:103:60: note: the last parameter in the range is 'z' + 103 | real_t z) { + | ^ +/github/workspace/src/cart_tumor.cc:102:53: warning: no header providing "bdm::real_t" is directly included [misc-include-cleaner] + 27 | ModelInitializer::InitializeSubstance(kOxygen, [](real_t x, real_t y, + | ^ +/github/workspace/src/cart_tumor.cc:102:60: warning: parameter 'x' is unused [misc-unused-parameters] + 102 | ModelInitializer::InitializeSubstance(kOxygen, [](real_t x, real_t y, + | ^ + | /*x*/ +/github/workspace/src/cart_tumor.cc:102:70: warning: parameter 'y' is unused [misc-unused-parameters] + 102 | ModelInitializer::InitializeSubstance(kOxygen, [](real_t x, real_t y, + | ^ + | /*y*/ +/github/workspace/src/cart_tumor.cc:103:60: warning: parameter 'z' is unused [misc-unused-parameters] + 103 | real_t z) { + | ^ + | /*z*/ +/github/workspace/src/cart_tumor.cc:109:3: warning: variable 'positions' of type 'std::vector' (aka 'vector>') can be declared 'const' [misc-const-correctness] + 109 | std::vector positions = + | ^ + | const +/github/workspace/src/cart_tumor.cc:109:15: warning: no header providing "bdm::Real3" is directly included [misc-include-cleaner] + 25 | std::vector positions = + | ^ +/github/workspace/src/cart_tumor.cc:112:5: warning: initializing non-owner 'TumorCell *' with a newly created 'gsl::owner<>' [cppcoreguidelines-owning-memory] + 112 | TumorCell* tumor_cell = new TumorCell(pos); + | ^~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~ +/github/workspace/src/cart_tumor.cc:112:5: warning: use auto when initializing with new to avoid duplicating the type name [modernize-use-auto] + 112 | TumorCell* tumor_cell = new TumorCell(pos); + | ^~~~~~~~~ + | auto +/github/workspace/src/cart_tumor.cc:113:29: warning: initializing non-owner argument of type 'Behavior *' with a newly created 'gsl::owner<>' [cppcoreguidelines-owning-memory] + 113 | tumor_cell->AddBehavior(new StateControlGrowProliferate()); + | ^~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~ +/github/workspace/src/cart_tumor.cc:121:37: warning: no header providing "bdm::kCpu" is directly included [misc-include-cleaner] + 27 | summary_op->AddOperationImpl(bdm::kCpu, new bdm::OutputSummary()); + | ^ +/github/workspace/src/cart_tumor.cc:121:43: warning: initializing non-owner argument of type 'OperationImpl *' with a newly created 'gsl::owner<>' [cppcoreguidelines-owning-memory] + 121 | summary_op->AddOperationImpl(bdm::kCpu, new bdm::OutputSummary()); + | ^~~~~~~~~~~~~~~~~~~~~~~~ +102210 warnings generated. +src/tumor_cell.cc: clang-tidy-18 -p=build -line-filter=[{\"name\":\"src/cart_cell.cc\",\"lines\":[[1,321]]},{\"name\":\"src/cart_cell.h\",\"lines\":[[1,250]]},{\"name\":\"src/cart_tumor.cc\",\"lines\":[[1,133]]},{\"name\":\"src/cart_tumor.h\",\"lines\":[[1,36]]},{\"name\":\"src/diffusion_thomas_algorithm.cc\",\"lines\":[[1,319]]},{\"name\":\"src/diffusion_thomas_algorithm.h\",\"lines\":[[1,194]]},{\"name\":\"src/forces_tumor_cart.cc\",\"lines\":[[1,163]]},{\"name\":\"src/forces_tumor_cart.h\",\"lines\":[[1,60]]},{\"name\":\"src/hyperparams.h\",\"lines\":[[1,216]]},{\"name\":\"src/tumor_cell.cc\",\"lines\":[[1,673]]},{\"name\":\"src/tumor_cell.h\",\"lines\":[[1,301]]},{\"name\":\"src/utils_aux.cc\",\"lines\":[[1,176]]},{\"name\":\"src/utils_aux.h\",\"lines\":[[1,96]]}] --enable-check-profile -store-check-profile=clang-tidy-review-profile --config-file=.clang-tidy --export-fixes=/tmp/tmpb2o1s_sd/tmplz_b27om.yaml src/tumor_cell.cc +/github/workspace/src/tumor_cell.cc:23:1: warning: #includes are not sorted properly [llvm-include-order] + 23 | #include + | ^ ~~~~~~~~~~~ + | "hyperparams.h" + 24 | #include + | ~~~~~~~~~~~ + | "utils_aux.h" + 25 | #include + | ~~~~~~~~ + | + 26 | #include "hyperparams.h" + | ~~~~~~~~~~~~~~~ + | + 27 | #include "utils_aux.h" + | ~~~~~~~~~~~~~ + | +/github/workspace/src/tumor_cell.cc:31:1: warning: constructor does not initialize these fields: oncoproteine_level_, transformation_random_rate_, fluid_fraction_, nuclear_volume_, target_cytoplasm_solid_, target_nucleus_solid_, target_fraction_fluid_, target_relation_cytoplasm_nucleus_, type_, oxygen_consumption_rate_, immunostimulatory_factor_secretion_rate_, constant1_oxygen_, constant2_oxygen_, constant1_immunostimulatory_factor_, constant2_immunostimulatory_factor_ [cppcoreguidelines-pro-type-member-init] + 31 | TumorCell::TumorCell(const Real3& position) { + | ^ +/github/workspace/src/tumor_cell.cc:31:28: warning: no header providing "bdm::Real3" is directly included [misc-include-cleaner] + 26 | #include "hyperparams.h" + 27 | #include "utils_aux.h" + 28 | + 29 | namespace bdm { + 30 | + 31 | TumorCell::TumorCell(const Real3& position) { + | ^ +/github/workspace/src/tumor_cell.cc:33:3: warning: 'state_' should be initialized in a member initializer of the constructor [cppcoreguidelines-prefer-member-initializer] + 31 | TumorCell::TumorCell(const Real3& position) { + | : state_(TumorCellState::kAlive) + 32 | SetPosition(position); + 33 | state_ = TumorCellState::kAlive; // Default state for new cells + | ^~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~ +/github/workspace/src/tumor_cell.cc:34:3: warning: 'timer_state_' should be initialized in a member initializer of the constructor [cppcoreguidelines-prefer-member-initializer] + 31 | TumorCell::TumorCell(const Real3& position) { + | , timer_state_(0) + 32 | SetPosition(position); + 33 | state_ = TumorCellState::kAlive; // Default state for new cells + 34 | timer_state_ = 0; // Initial timer_state + | ^~~~~~~~~~~~~~~~~ +/github/workspace/src/tumor_cell.cc:47:8: warning: 1e-16 is a magic number; consider replacing it with a named constant [cppcoreguidelines-avoid-magic-numbers,readability-magic-numbers] + 47 | (1e-16 + kDefaultVolumeNucleusTumorCell)); // Set target relation between + | ^ +/github/workspace/src/tumor_cell.cc:71:3: warning: 'attached_to_cart_' should be initialized in a member initializer of the constructor [cppcoreguidelines-prefer-member-initializer] +Suppressed 102300 warnings (102138 in non-user code, 162 NOLINT). +Use -header-filter=.* to display errors from all non-system headers. Use -system-headers to display errors from system headers as well. + 31 | attached_to_cart_ = false; // Initially not attached to a cart + | ^~~~~~~~~~~~~~~~~~~~~~~~~~ +/github/workspace/src/tumor_cell.cc:89:34: warning: no header providing "bdm::NewAgentEvent" is directly included [misc-include-cleaner] + 26 | void TumorCell::Initialize(const NewAgentEvent& event) { + | ^ +/github/workspace/src/tumor_cell.cc:94:27: warning: no header providing "bdm::CellDivisionEvent" is directly included [misc-include-cleaner] + 26 | if (event.GetUid() == CellDivisionEvent::kUid) { + | ^ +/github/workspace/src/tumor_cell.cc:124:7: warning: variable 'new_nuclear_volume' of type 'real_t' (aka 'double') can be declared 'const' [misc-const-correctness] + 124 | real_t new_nuclear_volume = mother->GetNuclearVolume() / + | ^ + | const +/github/workspace/src/tumor_cell.cc:124:7: warning: no header providing "bdm::real_t" is directly included [misc-include-cleaner] + 26 | real_t new_nuclear_volume = mother->GetNuclearVolume() / + | ^ +/github/workspace/src/tumor_cell.cc:125:35: warning: 2.0 is a magic number; consider replacing it with a named constant [cppcoreguidelines-avoid-magic-numbers,readability-magic-numbers] + 125 | 2.0; // Divide mother's nuclear volume by 2 + | ^ +/github/workspace/src/tumor_cell.cc:153:16: warning: 1.5 is a magic number; consider replacing it with a named constant [cppcoreguidelines-avoid-magic-numbers,readability-magic-numbers] + 153 | if (level >= 1.5) { // between 1.5 and 2.0 + | ^ +/github/workspace/src/tumor_cell.cc:155:38: warning: 1.5 is a magic number; consider replacing it with a named constant [cppcoreguidelines-avoid-magic-numbers,readability-magic-numbers] + 155 | } else if (level >= 1.0 && level < 1.5) { + | ^ +/github/workspace/src/tumor_cell.cc:157:23: warning: 0.5 is a magic number; consider replacing it with a named constant [cppcoreguidelines-avoid-magic-numbers,readability-magic-numbers] + 157 | } else if (level >= 0.5 && level < 1.0) { + | ^ +/github/workspace/src/tumor_cell.cc:167:44: warning: 38.6 is a magic number; consider replacing it with a named constant [cppcoreguidelines-avoid-magic-numbers,readability-magic-numbers] + 167 | 1 / (std::max(SamplePositiveGaussian(38.6, 3.7) * 60., 1e-16)); + | ^ +/github/workspace/src/tumor_cell.cc:167:50: warning: 3.7 is a magic number; consider replacing it with a named constant [cppcoreguidelines-avoid-magic-numbers,readability-magic-numbers] + 167 | 1 / (std::max(SamplePositiveGaussian(38.6, 3.7) * 60., 1e-16)); + | ^ +/github/workspace/src/tumor_cell.cc:167:57: warning: 60. is a magic number; consider replacing it with a named constant [cppcoreguidelines-avoid-magic-numbers,readability-magic-numbers] + 167 | 1 / (std::max(SamplePositiveGaussian(38.6, 3.7) * 60., 1e-16)); + | ^ +/github/workspace/src/tumor_cell.cc:167:62: warning: 1e-16 is a magic number; consider replacing it with a named constant [cppcoreguidelines-avoid-magic-numbers,readability-magic-numbers] + 167 | 1 / (std::max(SamplePositiveGaussian(38.6, 3.7) * 60., 1e-16)); + | ^ +/github/workspace/src/tumor_cell.cc:180:5: warning: 3 adjacent parameters of 'ChangeVolumeExponentialRelaxationEquation' of similar type ('real_t') are easily swapped by mistake [bugprone-easily-swappable-parameters] + 180 | real_t relaxation_rate_cytoplasm, real_t relaxation_rate_nucleus, + | ^~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~ + 181 | real_t relaxation_rate_fluid) { + | ~~~~~~~~~~~~~~~~~~~~~~~~~~~~ +/github/workspace/src/tumor_cell.cc:180:12: note: the first parameter in the range is 'relaxation_rate_cytoplasm' + 180 | real_t relaxation_rate_cytoplasm, real_t relaxation_rate_nucleus, + | ^~~~~~~~~~~~~~~~~~~~~~~~~ +/github/workspace/src/tumor_cell.cc:181:12: note: the last parameter in the range is 'relaxation_rate_fluid' + 181 | real_t relaxation_rate_fluid) { + | ^~~~~~~~~~~~~~~~~~~~~ +/github/workspace/src/tumor_cell.cc:183:3: warning: variable 'current_total_volume' of type 'real_t' (aka 'double') can be declared 'const' [misc-const-correctness] + 183 | real_t current_total_volume = GetVolume(); + | ^ + | const +/github/workspace/src/tumor_cell.cc:184:3: warning: variable 'fluid_fraction' of type 'real_t' (aka 'double') can be declared 'const' [misc-const-correctness] + 184 | real_t fluid_fraction = GetFluidFraction(); + | ^ + | const +/github/workspace/src/tumor_cell.cc:185:3: warning: variable 'nuclear_volume' of type 'real_t' (aka 'double') can be declared 'const' [misc-const-correctness] + 185 | real_t nuclear_volume = GetNuclearVolume(); + | ^ + | const +/github/workspace/src/tumor_cell.cc:187:3: warning: variable 'current_nuclear_solid' of type 'real_t' (aka 'double') can be declared 'const' [misc-const-correctness] + 187 | real_t current_nuclear_solid = nuclear_volume * (1 - fluid_fraction); + | ^ + | const +/github/workspace/src/tumor_cell.cc:188:3: warning: variable 'current_cytoplasm_solid' of type 'real_t' (aka 'double') can be declared 'const' [misc-const-correctness] + 188 | real_t current_cytoplasm_solid = + | ^ + | const +/github/workspace/src/tumor_cell.cc:198:3: warning: variable 'current_fluid' of type 'real_t' (aka 'double') can be declared 'const' [misc-const-correctness] + 198 | real_t current_fluid = fluid_fraction * current_total_volume; + | ^ + | const +/github/workspace/src/tumor_cell.cc:210:3: warning: variable 'nuclear_fluid' of type 'real_t' (aka 'double') can be declared 'const' [misc-const-correctness] + 210 | real_t nuclear_fluid = new_fluid * (nuclear_volume / current_total_volume); + | ^ + | const +/github/workspace/src/tumor_cell.cc:221:3: warning: variable 'target_cytoplasm_solid' of type 'real_t' (aka 'double') can be declared 'const' [misc-const-correctness] + 221 | real_t target_cytoplasm_solid = + | ^ + | const +/github/workspace/src/tumor_cell.cc:232:3: warning: variable 'new_total_solid' of type 'real_t' (aka 'double') can be declared 'const' [misc-const-correctness] + 232 | real_t new_total_solid = nuclear_solid + cytoplasm_solid; + | ^ + | const +/github/workspace/src/tumor_cell.cc:234:3: warning: variable 'total_nuclear' of type 'real_t' (aka 'double') can be declared 'const' [misc-const-correctness] + 234 | real_t total_nuclear = nuclear_solid + nuclear_fluid; + | ^ + | const +/github/workspace/src/tumor_cell.cc:238:3: warning: variable 'new_volume' of type 'real_t' (aka 'double') can be declared 'const' [misc-const-correctness] + 238 | real_t new_volume = new_total_solid + new_fluid; + | ^ + | const +/github/workspace/src/tumor_cell.cc:241:3: warning: variable 'new_fraction_fluid' of type 'real_t' (aka 'double') can be declared 'const' [misc-const-correctness] + 241 | real_t new_fraction_fluid = new_fluid / (1e-16 + new_volume); + | ^ + | const +/github/workspace/src/tumor_cell.cc:241:44: warning: 1e-16 is a magic number; consider replacing it with a named constant [cppcoreguidelines-avoid-magic-numbers,readability-magic-numbers] + 241 | real_t new_fraction_fluid = new_fluid / (1e-16 + new_volume); + | ^ +/github/workspace/src/tumor_cell.cc:275:46: warning: no header providing "bdm::InteractionForce" is directly included [misc-include-cleaner] + 26 | Real3 TumorCell::CalculateDisplacement(const InteractionForce* force, + | ^ +/github/workspace/src/tumor_cell.cc:287:3: warning: no header providing "uint64_t" is directly included [misc-include-cleaner] + 24 | uint64_t non_zero_neighbor_forces = 0; + | ^ +/github/workspace/src/tumor_cell.cc:291:9: warning: no header providing "bdm::L2F" is directly included [misc-include-cleaner] + 26 | L2F([&](Agent* neighbor, real_t squared_distance) { + | ^ +/github/workspace/src/tumor_cell.cc:291:17: warning: no header providing "bdm::Agent" is directly included [misc-include-cleaner] + 26 | L2F([&](Agent* neighbor, real_t squared_distance) { + | ^ +/github/workspace/src/tumor_cell.cc:291:41: warning: parameter 'squared_distance' is unused [misc-unused-parameters] + 291 | L2F([&](Agent* neighbor, real_t squared_distance) { + | ^~~~~~~~~~~~~~~~ + | /*squared_distance*/ +/github/workspace/src/tumor_cell.cc:322:43: warning: 2 adjacent parameters of 'ConsumeSecreteSubstance' of convertible types are easily swapped by mistake [bugprone-easily-swappable-parameters] + 322 | real_t TumorCell::ConsumeSecreteSubstance(int substance_id, + | ^~~~~~~~~~~~~~~~~ + 323 | real_t old_concentration) { + | ~~~~~~~~~~~~~~~~~~~~~~~~ +/github/workspace/src/tumor_cell.cc:322:47: note: the first parameter in the range is 'substance_id' + 322 | real_t TumorCell::ConsumeSecreteSubstance(int substance_id, + | ^~~~~~~~~~~~ +/github/workspace/src/tumor_cell.cc:323:50: note: the last parameter in the range is 'old_concentration' + 323 | real_t old_concentration) { + | ^~~~~~~~~~~~~~~~~ +/github/workspace/src/tumor_cell.cc:322:43: note: + 322 | real_t TumorCell::ConsumeSecreteSubstance(int substance_id, + | ^ +/github/workspace/src/tumor_cell.cc:323:43: note: 'int' and 'real_t' may be implicitly converted: 'int' -> 'real_t' (as 'double'), 'real_t' (as 'double') -> 'int' + 323 | real_t old_concentration) { + | ^ +/github/workspace/src/tumor_cell.cc:326:10: warning: variable 'res' is not initialized [cppcoreguidelines-init-variables] + 23 | real_t res; + | ^ + | = NAN +/github/workspace/src/tumor_cell.cc:353:3: warning: variable 'new_volume' of type 'real_t' (aka 'double') can be declared 'const' [misc-const-correctness] + 353 | real_t new_volume = GetVolume(); + | ^ + | const +/github/workspace/src/tumor_cell.cc:376:35: warning: function 'Run' has cognitive complexity of 31 (threshold 25) [readability-function-cognitive-complexity] + 376 | void StateControlGrowProliferate::Run(Agent* agent) { + | ^ +/github/workspace/src/tumor_cell.cc:378:3: note: +1, including nesting penalty of 0, nesting level increased to 1 + 378 | if (sim->GetScheduler()->GetSimulatedSteps() % kStepsPerCycle != 0) { + | ^ +/github/workspace/src/tumor_cell.cc:395:3: note: +1, including nesting penalty of 0, nesting level increased to 1 + 395 | if (auto* cell = dynamic_cast(agent)) { + | ^ +/github/workspace/src/tumor_cell.cc:396:5: note: +2, including nesting penalty of 1, nesting level increased to 2 + 396 | if (cell->IsAttachedToCart()) { + | ^ +/github/workspace/src/tumor_cell.cc:413:5: note: +2, including nesting penalty of 1, nesting level increased to 2 + 413 | switch (cell->GetState()) { + | ^ +/github/workspace/src/tumor_cell.cc:421:9: note: +3, including nesting penalty of 2, nesting level increased to 3 + 421 | if (ShouldEnterNecrosis( + | ^ +/github/workspace/src/tumor_cell.cc:435:9: note: +3, including nesting penalty of 2, nesting level increased to 3 + 435 | if (oxygen_level < + | ^ +/github/workspace/src/tumor_cell.cc:443:9: note: +3, including nesting penalty of 2, nesting level increased to 3 + 443 | if (oxygen_level < kOxygenLimitForProliferation) { + | ^ +/github/workspace/src/tumor_cell.cc:505:9: note: +3, including nesting penalty of 2, nesting level increased to 3 + 505 | if (final_rate_transition > 0) { + | ^ +/github/workspace/src/tumor_cell.cc:510:9: note: +3, including nesting penalty of 2, nesting level increased to 3 + 510 | if (time_to_wait < + | ^ +/github/workspace/src/tumor_cell.cc:533:9: note: +3, including nesting penalty of 2, nesting level increased to 3 + 533 | if (cell->GetVolume() >= + | ^ +/github/workspace/src/tumor_cell.cc:568:9: note: +3, including nesting penalty of 2, nesting level increased to 3 + 568 | if (kTimeLysis < + | ^ +/github/workspace/src/tumor_cell.cc:601:9: note: +3, including nesting penalty of 2, nesting level increased to 3 + 601 | if (kTimeApoptosis < + | ^ +/github/workspace/src/tumor_cell.cc:617:5: note: +1, nesting level increased to 1 + 617 | } else { + | ^ +/github/workspace/src/tumor_cell.cc:401:5: warning: variable 'current_position' of type 'Real3' (aka 'MathArray') can be declared 'const' [misc-const-correctness] + 401 | Real3 current_position = cell->GetPosition(); + | ^ + | const +/github/workspace/src/tumor_cell.cc:404:5: warning: variable 'oxygen_level' of type 'real_t' (aka 'double') can be declared 'const' [misc-const-correctness] + 404 | real_t oxygen_level = oxygen_dgrid->GetValue(current_position); + | ^ + | const +/github/workspace/src/tumor_cell.cc:410:12: warning: variable 'multiplier' is not initialized [cppcoreguidelines-init-variables] + 410 | real_t multiplier; + | ^ + | = NAN +/github/workspace/src/tumor_cell.cc:411:12: warning: variable 'final_rate_transition' is not initialized [cppcoreguidelines-init-variables] + 411 | real_t final_rate_transition; + | ^ + | = NAN +/github/workspace/src/tumor_cell.cc:417:13: warning: narrowing conversion from 'real_t' (aka 'double') to 'int' [bugprone-narrowing-conversions,cppcoreguidelines-narrowing-conversions] + 417 | cell->GetTimerState() + + | ^ +/github/workspace/src/tumor_cell.cc:504:13: warning: 1e100 is a magic number; consider replacing it with a named constant [cppcoreguidelines-avoid-magic-numbers,readability-magic-numbers] + 504 | 1e100; // Set a very large time to avoid division by zero + | ^ +/github/workspace/src/tumor_cell.cc:524:13: warning: narrowing conversion from 'real_t' (aka 'double') to 'int' [bugprone-narrowing-conversions,cppcoreguidelines-narrowing-conversions] + 524 | cell->GetTimerState() + + | ^ +/github/workspace/src/tumor_cell.cc:559:13: warning: narrowing conversion from 'real_t' (aka 'double') to 'int' [bugprone-narrowing-conversions,cppcoreguidelines-narrowing-conversions] + 559 | cell->GetTimerState() + + | ^ +/github/workspace/src/tumor_cell.cc:592:13: warning: narrowing conversion from 'real_t' (aka 'double') to 'int' [bugprone-narrowing-conversions,cppcoreguidelines-narrowing-conversions] + 592 | cell->GetTimerState() + + | ^ +/github/workspace/src/tumor_cell.cc:612:9: warning: no header providing "bdm::Log" is directly included [misc-include-cleaner] + 26 | Log::Error("StateControlGrowProliferate::Run", + | ^ +/github/workspace/src/tumor_cell.cc:624:35: warning: method 'ShouldEnterNecrosis' can be made static [readability-convert-member-functions-to-static] + 624 | bool StateControlGrowProliferate::ShouldEnterNecrosis(real_t oxygen_level, + | ^ + 625 | TumorCell* cell) const { + | ~~~~~ +/github/workspace/src/tumor_cell.cc:639:3: warning: variable 'probability_necrosis' of type 'real_t' (aka 'double') can be declared 'const' [misc-const-correctness] + 639 | real_t probability_necrosis = + | ^ + | const +/github/workspace/src/tumor_cell.cc:646:3: warning: variable 'enter_necrosis' of type 'bool' can be declared 'const' [misc-const-correctness] + 646 | bool enter_necrosis = random->Uniform(0, 1) < probability_necrosis; + | ^ + | const +/github/workspace/src/tumor_cell.cc:668:19: warning: 5 is a magic number; consider replacing it with a named constant [cppcoreguidelines-avoid-magic-numbers,readability-magic-numbers] + 668 | cell->SetType(5); // Set type to 5 to indicate dead cell + | ^ +102264 warnings generated. +src/utils_aux.cc: clang-tidy-18 -p=build -line-filter=[{\"name\":\"src/cart_cell.cc\",\"lines\":[[1,321]]},{\"name\":\"src/cart_cell.h\",\"lines\":[[1,250]]},{\"name\":\"src/cart_tumor.cc\",\"lines\":[[1,133]]},{\"name\":\"src/cart_tumor.h\",\"lines\":[[1,36]]},{\"name\":\"src/diffusion_thomas_algorithm.cc\",\"lines\":[[1,319]]},{\"name\":\"src/diffusion_thomas_algorithm.h\",\"lines\":[[1,194]]},{\"name\":\"src/forces_tumor_cart.cc\",\"lines\":[[1,163]]},{\"name\":\"src/forces_tumor_cart.h\",\"lines\":[[1,60]]},{\"name\":\"src/hyperparams.h\",\"lines\":[[1,216]]},{\"name\":\"src/tumor_cell.cc\",\"lines\":[[1,673]]},{\"name\":\"src/tumor_cell.h\",\"lines\":[[1,301]]},{\"name\":\"src/utils_aux.cc\",\"lines\":[[1,176]]},{\"name\":\"src/utils_aux.h\",\"lines\":[[1,96]]}] --enable-check-profile -store-check-profile=clang-tidy-review-profile --config-file=.clang-tidy --export-fixes=/tmp/tmpb2o1s_sd/tmp_xr510k8.yaml src/utils_aux.cc +Suppressed 102378 warnings (102216 in non-user code, 162 NOLINT). +Use -header-filter=.* to display errors from all non-system headers. Use -system-headers to display errors from system headers as well. +/github/workspace/src/utils_aux.cc:23:1: warning: #includes are not sorted properly [llvm-include-order] + 23 | #include + | ^ ~~~~~~~ + | "hyperparams.h" + 24 | #include + | ~~~~~~~~~ + | "tumor_cell.h" + 25 | #include + | ~~~~~~~ + | + 26 | #include + | ~~~~~~~~ + | + 27 | #include "hyperparams.h" + | ~~~~~~~~~~~~~~~ + | + 28 | #include "tumor_cell.h" + | ~~~~~~~~~~~~~~ + | +/github/workspace/src/utils_aux.cc:34:1: warning: no header providing "bdm::real_t" is directly included [misc-include-cleaner] + 27 | #include "hyperparams.h" + 28 | #include "tumor_cell.h" + 29 | + 30 | namespace bdm { + 31 | + 32 | // Samples a Gaussian value with given mean and standard deviation but all + 33 | // negative values are mapped to zero + 34 | real_t SamplePositiveGaussian(float mean, float sigma) { + | ^ +/github/workspace/src/utils_aux.cc:43:13: warning: no header providing "bdm::Real3" is directly included [misc-include-cleaner] + 27 | std::vector CreateSphereOfTumorCells(real_t sphere_radius) { + | ^ +/github/workspace/src/utils_aux.cc:45:3: warning: variable 'cell_radius' of type 'real_t' (aka 'double') can be declared 'const' [misc-const-correctness] + 45 | real_t cell_radius = + | ^ + | const +/github/workspace/src/utils_aux.cc:46:46: warning: 6 is a magic number; consider replacing it with a named constant [cppcoreguidelines-avoid-magic-numbers,readability-magic-numbers] + 46 | std::cbrt(kDefaultVolumeNewTumorCell * 6 / Math::kPi) / 2; + | ^ +/github/workspace/src/utils_aux.cc:46:50: warning: no header providing "bdm::Math" is directly included [misc-include-cleaner] + 27 | std::cbrt(kDefaultVolumeNewTumorCell * 6 / Math::kPi) / 2; + | ^ +/github/workspace/src/utils_aux.cc:51:3: warning: variable 'spacing_x' of type 'real_t' (aka 'double') can be declared 'const' [misc-const-correctness] + 51 | real_t spacing_x = cell_radius * std::sqrt(3.0); + | ^ + | const +/github/workspace/src/utils_aux.cc:51:46: warning: 3.0 is a magic number; consider replacing it with a named constant [cppcoreguidelines-avoid-magic-numbers,readability-magic-numbers] + 51 | real_t spacing_x = cell_radius * std::sqrt(3.0); + | ^ +/github/workspace/src/utils_aux.cc:52:3: warning: variable 'spacing_y' of type 'real_t' (aka 'double') can be declared 'const' [misc-const-correctness] + 52 | real_t spacing_y = cell_radius * 2.0; + | ^ + | const +/github/workspace/src/utils_aux.cc:52:36: warning: 2.0 is a magic number; consider replacing it with a named constant [cppcoreguidelines-avoid-magic-numbers,readability-magic-numbers] + 52 | real_t spacing_y = cell_radius * 2.0; + | ^ +/github/workspace/src/utils_aux.cc:53:3: warning: variable 'spacing_z' of type 'real_t' (aka 'double') can be declared 'const' [misc-const-correctness] + 53 | real_t spacing_z = cell_radius * std::sqrt(3.0); + | ^ + | const +/github/workspace/src/utils_aux.cc:53:46: warning: 3.0 is a magic number; consider replacing it with a named constant [cppcoreguidelines-avoid-magic-numbers,readability-magic-numbers] + 53 | real_t spacing_z = cell_radius * std::sqrt(3.0); + | ^ +/github/workspace/src/utils_aux.cc:56:3: warning: Variable 'z' with floating point type 'real_t' should not be used as a loop counter [clang-analyzer-security.FloatLoopCounter] + 56 | for (real_t z = -sphere_radius; z < sphere_radius; z += spacing_z, ++zc) { + | ^ ~ ~ +/github/workspace/src/utils_aux.cc:56:3: note: Variable 'z' with floating point type 'real_t' should not be used as a loop counter + 56 | for (real_t z = -sphere_radius; z < sphere_radius; z += spacing_z, ++zc) { + | ^ ~ ~ +/github/workspace/src/utils_aux.cc:58:5: warning: Variable 'x' with floating point type 'real_t' should not be used as a loop counter [clang-analyzer-security.FloatLoopCounter] + 58 | for (real_t x = -sphere_radius; x < sphere_radius; x += spacing_x, ++xc) { + | ^ ~ ~ +/github/workspace/src/utils_aux.cc:58:5: note: Variable 'x' with floating point type 'real_t' should not be used as a loop counter + 58 | for (real_t x = -sphere_radius; x < sphere_radius; x += spacing_x, ++xc) { + | ^ ~ ~ +/github/workspace/src/utils_aux.cc:60:7: warning: Variable 'y' with floating point type 'real_t' should not be used as a loop counter [clang-analyzer-security.FloatLoopCounter] + 60 | for (real_t y = -sphere_radius; y < sphere_radius; y += spacing_y, ++yc) { + | ^ ~ ~ +/github/workspace/src/utils_aux.cc:60:7: note: Variable 'y' with floating point type 'real_t' should not be used as a loop counter + 60 | for (real_t y = -sphere_radius; y < sphere_radius; y += spacing_y, ++yc) { + | ^ ~ ~ +/github/workspace/src/utils_aux.cc:62:9: warning: variable 'px' of type 'real_t' (aka 'double') can be declared 'const' [misc-const-correctness] + 62 | real_t px = x + (zc % 2) * 0.5 * cell_radius; + | ^ + | const +/github/workspace/src/utils_aux.cc:62:36: warning: 0.5 is a magic number; consider replacing it with a named constant [cppcoreguidelines-avoid-magic-numbers,readability-magic-numbers] + 62 | real_t px = x + (zc % 2) * 0.5 * cell_radius; + | ^ +/github/workspace/src/utils_aux.cc:63:9: warning: variable 'py' of type 'real_t' (aka 'double') can be declared 'const' [misc-const-correctness] + 63 | real_t py = y + (xc % 2) * cell_radius; + | ^ + | const +/github/workspace/src/utils_aux.cc:64:9: warning: variable 'pz' of type 'real_t' (aka 'double') can be declared 'const' [misc-const-correctness] + 64 | real_t pz = z; + | ^ + | const +/github/workspace/src/utils_aux.cc:66:9: warning: variable 'dist' of type 'real_t' (aka 'double') can be declared 'const' [misc-const-correctness] + 66 | real_t dist = std::sqrt(px * px + py * py + pz * pz); + | ^ + | const +/github/workspace/src/utils_aux.cc:80:12: warning: no header providing "size_t" is directly included [misc-include-cleaner] + 24 | std::tuple + | ^ +/github/workspace/src/utils_aux.cc:92:30: warning: no header providing "bdm::Agent" is directly included [misc-include-cleaner] + 27 | rm->ForEachAgent([&](const Agent* agent) { + | ^ +/github/workspace/src/utils_aux.cc:93:9: warning: 'auto *tumor_cell' can be declared as 'const auto *tumor_cell' [readability-qualified-auto] + 93 | if (auto* tumor_cell = dynamic_cast(agent)) { + | ^ + | const +/github/workspace/src/utils_aux.cc:96:7: warning: variable 'dist_sq' of type 'real_t' (aka 'double') can be declared 'const' [misc-const-correctness] + 96 | real_t dist_sq = pos[0] * pos[0] + pos[1] * pos[1] + pos[2] * pos[2]; + | ^ + | const +/github/workspace/src/utils_aux.cc:115:14: warning: 5 is a magic number; consider replacing it with a named constant [cppcoreguidelines-avoid-magic-numbers,readability-magic-numbers] + 115 | case 5: + | ^ +/github/workspace/src/utils_aux.cc:135:54: warning: no header providing "std::ios" is directly included [misc-include-cleaner] + 25 | std::ofstream file("output/final_data.csv", std::ios::app); + | ^ +/github/workspace/src/utils_aux.cc:148:7: warning: variable 'total_minutes' of type 'double' can be declared 'const' [misc-const-correctness] + 148 | double total_minutes = + | ^ + | const +/github/workspace/src/utils_aux.cc:150:7: warning: variable 'total_hours' of type 'double' can be declared 'const' [misc-const-correctness] + 150 | double total_hours = total_minutes / 60.0; + | ^ + | const +/github/workspace/src/utils_aux.cc:150:44: warning: 60.0 is a magic number; consider replacing it with a named constant [cppcoreguidelines-avoid-magic-numbers,readability-magic-numbers] + 150 | double total_hours = total_minutes / 60.0; + | ^ +/github/workspace/src/utils_aux.cc:151:7: warning: variable 'total_days' of type 'double' can be declared 'const' [misc-const-correctness] + 151 | double total_days = total_hours / 24.0; + | ^ + | const +/github/workspace/src/utils_aux.cc:151:41: warning: 24.0 is a magic number; consider replacing it with a named constant [cppcoreguidelines-avoid-magic-numbers,readability-magic-numbers] + 151 | double total_days = total_hours / 24.0; + | ^ +/github/workspace/src/utils_aux.cc:154:14: warning: variable 'total_num_tumor_cells' is not initialized [cppcoreguidelines-init-variables] + 154 | size_t total_num_tumor_cells; + | ^ + | = 0 +/github/workspace/src/utils_aux.cc:155:7: warning: multiple declarations in a single statement reduces readability [readability-isolate-declaration] + 155 | size_t num_tumor_cells_type1, num_tumor_cells_type2, + | ^~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~ + 156 | num_tumor_cells_type3, num_tumor_cells_type4, + | ~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~ + 157 | num_tumor_cells_type5_dead; + | ~~~~~~~~~~~~~~~~~~~~~~~~~~~ +/github/workspace/src/utils_aux.cc:155:14: warning: variable 'num_tumor_cells_type1' is not initialized [cppcoreguidelines-init-variables] + 155 | size_t num_tumor_cells_type1, num_tumor_cells_type2, + | ^ +note: this fix will not be applied because it overlaps with another fix +/github/workspace/src/utils_aux.cc:155:37: warning: variable 'num_tumor_cells_type2' is not initialized [cppcoreguidelines-init-variables] + 155 | size_t num_tumor_cells_type1, num_tumor_cells_type2, + | ^ +note: this fix will not be applied because it overlaps with another fix +/github/workspace/src/utils_aux.cc:156:11: warning: variable 'num_tumor_cells_type3' is not initialized [cppcoreguidelines-init-variables] + 156 | num_tumor_cells_type3, num_tumor_cells_type4, + | ^ +note: this fix will not be applied because it overlaps with another fix +/github/workspace/src/utils_aux.cc:156:34: warning: variable 'num_tumor_cells_type4' is not initialized [cppcoreguidelines-init-variables] + 156 | num_tumor_cells_type3, num_tumor_cells_type4, + | ^ +note: this fix will not be applied because it overlaps with another fix +/github/workspace/src/utils_aux.cc:157:11: warning: variable 'num_tumor_cells_type5_dead' is not initialized [cppcoreguidelines-init-variables] + 157 | num_tumor_cells_type5_dead; + | ^ +note: this fix will not be applied because it overlaps with another fix +/github/workspace/src/utils_aux.cc:158:14: warning: variable 'tumor_radius' is not initialized [cppcoreguidelines-init-variables] + 23 | real_t tumor_radius; + | ^ + | = NAN \ No newline at end of file diff --git a/src/cart_cell.h b/src/cart_cell.h index cf8f908..27f49f5 100644 --- a/src/cart_cell.h +++ b/src/cart_cell.h @@ -22,9 +22,16 @@ #ifndef CART_CELL_H_ #define CART_CELL_H_ -#include "biodynamo.h" +#include "core/agent/agent.h" +#include "core/agent/cell.h" +#include "core/behavior/behavior.h" +#include "core/diffusion/diffusion_grid.h" +#include "core/container/math_array.h" +#include "core/real_t.h" +#include "core/interaction_force.h" #include "tumor_cell.h" + namespace bdm { /// Enumeration defining the possible states of a CAR-T cell @@ -50,9 +57,13 @@ class CartCell : public Cell { BDM_AGENT_HEADER(CartCell, Cell, 1); public: - CartCell() {} + CartCell() = default; explicit CartCell(const Real3& position); - virtual ~CartCell() {} + + // Copy and move constructors/destructors (assignment operators are deleted by base class) + CartCell(const CartCell&) = default; + CartCell(CartCell&&) = default; + ~CartCell() override = default; /// Getters and Setters void SetState(CartCellState state) { state_ = state; } @@ -172,60 +183,79 @@ class CartCell : public Cell { private: /// Current state of the CAR-T cell - CartCellState state_; + // NOLINTNEXTLINE(readability-identifier-naming) + CartCellState state_ = CartCellState::kAlive; /// Timer to track time in the current state (in minutes) /// Used for apoptotic state timing - int timer_state_; + // NOLINTNEXTLINE(readability-identifier-naming) + int timer_state_ = 0; /// Pointer to the oxygen diffusion grid - DiffusionGrid* oxygen_dgrid_; + // NOLINTNEXTLINE(readability-identifier-naming) + DiffusionGrid* oxygen_dgrid_ = nullptr; + // NOLINTNEXTLINE(readability-identifier-naming) /// Pointer to the immunostimulatory factor diffusion grid - DiffusionGrid* immunostimulatory_factor_dgrid_; + // NOLINTNEXTLINE(readability-identifier-naming) + DiffusionGrid* immunostimulatory_factor_dgrid_ = nullptr; /// Flag indicating if the cell is attached to a tumor cell - bool attached_to_tumor_cell_; + // NOLINTNEXTLINE(readability-identifier-naming) + bool attached_to_tumor_cell_ = false; /// Current time until apoptosis - real_t current_live_time_; + // NOLINTNEXTLINE(readability-identifier-naming) + real_t current_live_time_ = 0.0; /// Fluid fraction of the cell volume - real_t fluid_fraction_; + // NOLINTNEXTLINE(readability-identifier-naming) + real_t fluid_fraction_ = 0.0; /// Volume of the nucleus - real_t nuclear_volume_; + // NOLINTNEXTLINE(readability-identifier-naming) + real_t nuclear_volume_ = 0.0; /// Target cytoplasm solid volume for exponential relaxation /// Used during volume changes following exponential relaxation equation - real_t target_cytoplasm_solid_; + // NOLINTNEXTLINE(readability-identifier-naming) + real_t target_cytoplasm_solid_ = 0.0; /// Target nucleus solid volume for exponential relaxation - real_t target_nucleus_solid_; + // NOLINTNEXTLINE(readability-identifier-naming) + real_t target_nucleus_solid_ = 0.0; /// Target fluid fraction for exponential relaxation - real_t target_fraction_fluid_; + // NOLINTNEXTLINE(readability-identifier-naming) + real_t target_fraction_fluid_ = 0.0; /// Target relation between cytoplasm and nucleus volumes - real_t target_relation_cytoplasm_nucleus_; + // NOLINTNEXTLINE(readability-identifier-naming) + real_t target_relation_cytoplasm_nucleus_ = 0.0; /// Velocity of the cell in the previous time step - Real3 older_velocity_; + // NOLINTNEXTLINE(readability-identifier-naming) + Real3 older_velocity_ = {0.0, 0.0, 0.0}; /// Rate of oxygen consumption by the cell - real_t oxygen_consumption_rate_; + // NOLINTNEXTLINE(readability-identifier-naming) + real_t oxygen_consumption_rate_ = 0.0; /// Rate of immunostimulatory factor secretion by the cell - real_t immunostimulatory_factor_secretion_rate_; + // NOLINTNEXTLINE(readability-identifier-naming) + real_t immunostimulatory_factor_secretion_rate_ = 0.0; /// Constant 1 for oxygen consumption/secretion differential equation solution - real_t constant1_oxygen_; + // NOLINTNEXTLINE(readability-identifier-naming) + real_t constant1_oxygen_ = 0.0; /// Constant 2 for oxygen consumption/secretion differential equation solution - real_t constant2_oxygen_; + // NOLINTNEXTLINE(readability-identifier-naming) + real_t constant2_oxygen_ = 0.0; /// Pointer to the attached tumor cell - TumorCell* attached_cell_; + // NOLINTNEXTLINE(readability-identifier-naming) + TumorCell* attached_cell_ = nullptr; }; /// Behavior class for controlling CAR-T cell state transitions @@ -238,8 +268,11 @@ struct StateControlCart : public Behavior { BDM_BEHAVIOR_HEADER(StateControlCart, Behavior, 1); StateControlCart() { AlwaysCopyToNew(); } - - virtual ~StateControlCart() {} + + // Copy and move constructors/destructors (assignment operators handled by base class) + StateControlCart(const StateControlCart&) = default; + StateControlCart(StateControlCart&&) = default; + ~StateControlCart() override = default; /// Execute the state control behavior void Run(Agent* agent) override; diff --git a/src/cart_tumor.h b/src/cart_tumor.h index ac6d7a4..a8646fa 100644 --- a/src/cart_tumor.h +++ b/src/cart_tumor.h @@ -21,8 +21,6 @@ #ifndef CART_TUMOR_H_ #define CART_TUMOR_H_ -#include "biodynamo.h" - namespace bdm { /// List the diffused substances diff --git a/src/forces_tumor_cart.cc b/src/forces_tumor_cart.cc index f55f3cc..2f93ff8 100644 --- a/src/forces_tumor_cart.cc +++ b/src/forces_tumor_cart.cc @@ -22,6 +22,7 @@ #include "forces_tumor_cart.h" #include #include +#include "core/container/math_array.h" #include "hyperparams.h" #include "tumor_cell.h" #include "utils_aux.h" diff --git a/src/forces_tumor_cart.h b/src/forces_tumor_cart.h index 0486aef..6ef8ba1 100644 --- a/src/forces_tumor_cart.h +++ b/src/forces_tumor_cart.h @@ -24,6 +24,7 @@ #include "biodynamo.h" #include "core/interaction_force.h" +#include "core/container/math_array.h" namespace bdm { @@ -37,6 +38,10 @@ namespace bdm { class InteractionVelocity : public InteractionForce { public: InteractionVelocity() = default; + InteractionVelocity(const InteractionVelocity&) = default; + InteractionVelocity& operator=(const InteractionVelocity&) = default; + InteractionVelocity(InteractionVelocity&&) = default; + InteractionVelocity& operator=(InteractionVelocity&&) = default; ~InteractionVelocity() override = default; @@ -52,7 +57,7 @@ class InteractionVelocity : public InteractionForce { /// magnitude) Real4 Calculate(const Agent* lhs, const Agent* rhs) const override; - InteractionForce* NewCopy() const override; + [[nodiscard]] InteractionForce* NewCopy() const override; }; } // namespace bdm diff --git a/src/tumor_cell.h b/src/tumor_cell.h index c060dc5..0fda21f 100644 --- a/src/tumor_cell.h +++ b/src/tumor_cell.h @@ -23,6 +23,7 @@ #define TUMOR_CELL_H_ #include "biodynamo.h" +#include "core/container/math_array.h" namespace bdm { diff --git a/src/utils_aux.h b/src/utils_aux.h index a8d9063..6bf972a 100644 --- a/src/utils_aux.h +++ b/src/utils_aux.h @@ -26,6 +26,7 @@ #include #include #include "biodynamo.h" +#include "core/container/math_array.h" namespace bdm { /// Forward declaration of TumorCell class From 5c341c664bf0743f93d0092b18a6b9354bf20537 Mon Sep 17 00:00:00 2001 From: salva24 Date: Wed, 27 Aug 2025 16:49:11 +0200 Subject: [PATCH 28/47] diffusion_thomas_algorithm.h tidy --- clang_output.txt | 146 ------------------------------- src/cart_cell.h | 1 + src/diffusion_thomas_algorithm.h | 43 ++++++++- 3 files changed, 40 insertions(+), 150 deletions(-) diff --git a/clang_output.txt b/clang_output.txt index c009a4d..72deb87 100644 --- a/clang_output.txt +++ b/clang_output.txt @@ -1,149 +1,3 @@ -src/diffusion_thomas_algorithm.h: clang-tidy-18 -p=build -line-filter=[{\"name\":\"src/cart_cell.cc\",\"lines\":[[1,321]]},{\"name\":\"src/cart_cell.h\",\"lines\":[[1,250]]},{\"name\":\"src/cart_tumor.cc\",\"lines\":[[1,133]]},{\"name\":\"src/cart_tumor.h\",\"lines\":[[1,36]]},{\"name\":\"src/diffusion_thomas_algorithm.cc\",\"lines\":[[1,319]]},{\"name\":\"src/diffusion_thomas_algorithm.h\",\"lines\":[[1,194]]},{\"name\":\"src/forces_tumor_cart.cc\",\"lines\":[[1,163]]},{\"name\":\"src/forces_tumor_cart.h\",\"lines\":[[1,60]]},{\"name\":\"src/hyperparams.h\",\"lines\":[[1,216]]},{\"name\":\"src/tumor_cell.cc\",\"lines\":[[1,673]]},{\"name\":\"src/tumor_cell.h\",\"lines\":[[1,301]]},{\"name\":\"src/utils_aux.cc\",\"lines\":[[1,176]]},{\"name\":\"src/utils_aux.h\",\"lines\":[[1,96]]}] --enable-check-profile -store-check-profile=clang-tidy-review-profile --config-file=.clang-tidy --export-fixes=/tmp/tmpb2o1s_sd/tmphfdorwda.yaml src/diffusion_thomas_algorithm.h -102098 warnings generated. -/github/workspace/src/diffusion_thomas_algorithm.h:22:9: warning: header guard does not follow preferred style [llvm-header-guard] - 22 | #ifndef DIFFUSION_THOMAS_ALGORITHM_H_ - | ^~~~~~~~~~~~~~~~~~~~~~~~~~~~~ - | GITHUB_WORKSPACE_SRC_DIFFUSION_THOMAS_ALGORITHM_H - 23 | #define DIFFUSION_THOMAS_ALGORITHM_H_ - | ~~~~~~~~~~~~~~~~~~~~~~~~~~~~~ - | GITHUB_WORKSPACE_SRC_DIFFUSION_THOMAS_ALGORITHM_H -/github/workspace/src/diffusion_thomas_algorithm.h:25:1: warning: #includes are not sorted properly [llvm-include-order] - 25 | #include - | ^ -note: this fix will not be applied because it overlaps with another fix -/github/workspace/src/diffusion_thomas_algorithm.h:27:1: warning: included header biodynamo.h is not used directly [misc-include-cleaner] - 27 | #include "biodynamo.h" - | ^~~~~~~~~~~~~~~~~~~~~~ - 28 | #include "core/diffusion/diffusion_grid.h" -/github/workspace/src/diffusion_thomas_algorithm.h:36:7: warning: constructor does not initialize these fields: resolution_, d_space_, jump_i_, jump_j_, jump_k_, constant1_, constant1a_, constant2_, constant3_, constant3a_, dirichlet_border_ [cppcoreguidelines-pro-type-member-init] - 36 | class DiffusionThomasAlgorithm : public DiffusionGrid { - | ^ -/github/workspace/src/diffusion_thomas_algorithm.h:41:28: warning: no header providing "bdm::real_t" is directly included [misc-include-cleaner] - 29 | - 30 | namespace bdm { - 31 | - 32 | /// Continuum model for the 3D heat equation with exponential decay - 33 | /// - 34 | /// Implements the diffusion equation, solved implicitly: ∂t u = ∇D∇u - μu - 35 | /// Uses the Thomas algorithm for solving tridiagonal systems efficiently. - 36 | class DiffusionThomasAlgorithm : public DiffusionGrid { - 37 | public: - 38 | DiffusionThomasAlgorithm() = default; - 39 | - 40 | DiffusionThomasAlgorithm(int substance_id, std::string substance_name, - 41 | real_t dc, real_t mu, int resolution, real_t dt, - | ^ -/github/workspace/src/diffusion_thomas_algorithm.h:46:34: warning: narrowing conversion from 'real_t' (aka 'double') to 'size_t' (aka 'unsigned long') [bugprone-narrowing-conversions,cppcoreguidelines-narrowing-conversions] - 46 | SetConcentration(GetBoxIndex(x, y, z), amount); - | ^ -/github/workspace/src/diffusion_thomas_algorithm.h:46:37: warning: narrowing conversion from 'real_t' (aka 'double') to 'size_t' (aka 'unsigned long') [bugprone-narrowing-conversions,cppcoreguidelines-narrowing-conversions] - 46 | SetConcentration(GetBoxIndex(x, y, z), amount); - | ^ -/github/workspace/src/diffusion_thomas_algorithm.h:46:40: warning: narrowing conversion from 'real_t' (aka 'double') to 'size_t' (aka 'unsigned long') [bugprone-narrowing-conversions,cppcoreguidelines-narrowing-conversions] - 46 | SetConcentration(GetBoxIndex(x, y, z), amount); - | ^ -/github/workspace/src/diffusion_thomas_algorithm.h:49:25: warning: no header providing "size_t" is directly included [misc-include-cleaner] - 25 | void SetConcentration(size_t idx, real_t amount); - | ^ -/github/workspace/src/diffusion_thomas_algorithm.h:115:10: warning: invalid case style for private member 'resolution_' [readability-identifier-naming] - 115 | size_t resolution_; - | ^~~~~~~~~~~ - | resolution -/github/workspace/src/diffusion_thomas_algorithm.h:118:10: warning: invalid case style for private member 'd_space_' [readability-identifier-naming] - 118 | real_t d_space_; - | ^~~~~~~~ - | d_space -/github/workspace/src/diffusion_thomas_algorithm.h:121:23: warning: invalid case style for private member 'thomas_denom_x_' [readability-identifier-naming] - 121 | std::vector thomas_denom_x_; - | ^~~~~~~~~~~~~~~ - | thomas_denom_x -/github/workspace/src/diffusion_thomas_algorithm.h:124:23: warning: invalid case style for private member 'thomas_c_x_' [readability-identifier-naming] - 124 | std::vector thomas_c_x_; - | ^~~~~~~~~~~ - | thomas_c_x -/github/workspace/src/diffusion_thomas_algorithm.h:127:23: warning: invalid case style for private member 'thomas_denom_y_' [readability-identifier-naming] - 127 | std::vector thomas_denom_y_; - | ^~~~~~~~~~~~~~~ - | thomas_denom_y -/github/workspace/src/diffusion_thomas_algorithm.h:130:23: warning: invalid case style for private member 'thomas_c_y_' [readability-identifier-naming] - 130 | std::vector thomas_c_y_; - | ^~~~~~~~~~~ - | thomas_c_y -/github/workspace/src/diffusion_thomas_algorithm.h:133:23: warning: invalid case style for private member 'thomas_denom_z_' [readability-identifier-naming] - 133 | std::vector thomas_denom_z_; - | ^~~~~~~~~~~~~~~ - | thomas_denom_z -/github/workspace/src/diffusion_thomas_algorithm.h:136:23: warning: invalid case style for private member 'thomas_c_z_' [readability-identifier-naming] - 136 | std::vector thomas_c_z_; - | ^~~~~~~~~~~ - | thomas_c_z -/github/workspace/src/diffusion_thomas_algorithm.h:139:7: warning: invalid case style for private member 'jump_i_' [readability-identifier-naming] - 139 | int jump_i_; - | ^~~~~~~ - | jump_i -/github/workspace/src/diffusion_thomas_algorithm.h:142:7: warning: invalid case style for private member 'jump_j_' [readability-identifier-naming] - 142 | int jump_j_; - | ^~~~~~~ - | jump_j -/github/workspace/src/diffusion_thomas_algorithm.h:145:7: warning: invalid case style for private member 'jump_k_' [readability-identifier-naming] - 145 | int jump_k_; - | ^~~~~~~ - | jump_k -/github/workspace/src/diffusion_thomas_algorithm.h:148:10: warning: invalid case style for private member 'constant1_' [readability-identifier-naming] - 148 | real_t constant1_; - | ^~~~~~~~~~ - | constant1 -/github/workspace/src/diffusion_thomas_algorithm.h:151:10: warning: invalid case style for private member 'constant1a_' [readability-identifier-naming] - 151 | real_t constant1a_; - | ^~~~~~~~~~~ - | constant1a -/github/workspace/src/diffusion_thomas_algorithm.h:154:10: warning: invalid case style for private member 'constant2_' [readability-identifier-naming] - 154 | real_t constant2_; - | ^~~~~~~~~~ - | constant2 -/github/workspace/src/diffusion_thomas_algorithm.h:157:10: warning: invalid case style for private member 'constant3_' [readability-identifier-naming] - 157 | real_t constant3_; - | ^~~~~~~~~~ - | constant3 -/github/workspace/src/diffusion_thomas_algorithm.h:160:10: warning: invalid case style for private member 'constant3a_' [readability-identifier-naming] - 160 | real_t constant3a_; - | ^~~~~~~~~~~ - | constant3a -/github/workspace/src/diffusion_thomas_algorithm.h:163:8: warning: invalid case style for private member 'dirichlet_border_' [readability-identifier-naming] - 163 | bool dirichlet_border_; - | ^~~~~~~~~~~~~~~~~ - | dirichlet_border -/github/workspace/src/diffusion_thomas_algorithm.h:189:3: warning: do not use 'else' after 'return' [llvm-else-after-return,readability-else-after-return] - 189 | BDM_CLASS_DEF_OVERRIDE(DiffusionThomasAlgorithm, 1); - | ^~~~~~~~~~~~~~~~~~~~~~ -/github/workspace/biodynamo/build/include/core/util/root.h:28:3: note: expanded from macro 'BDM_CLASS_DEF_OVERRIDE' - 28 | ClassDefOverride(class_name, class_version_id) - | ^~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~ -/github/workspace/biodynamo/build/third_party/root/include/Rtypes.h:342:4: note: expanded from macro 'ClassDefOverride' - 342 | _ClassDefOutline_(name,id,,override) \ - | ^~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~ -/github/workspace/biodynamo/build/third_party/root/include/Rtypes.h:304:4: note: expanded from macro '_ClassDefOutline_' - 304 | _ClassDefBase_(name,id, virtual_keyword, overrd) \ - | ^~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~ -/github/workspace/biodynamo/build/third_party/root/include/Rtypes.h:280:9: note: expanded from macro '_ClassDefBase_' - 280 | } else if (recurseBlocker == 1) { \ - | ^~~~ -/github/workspace/src/diffusion_thomas_algorithm.h:189:3: warning: no header providing "BDM_CLASS_DEF_OVERRIDE" is directly included [misc-include-cleaner] - 29 | BDM_CLASS_DEF_OVERRIDE(DiffusionThomasAlgorithm, 1); - | ^ -/github/workspace/src/diffusion_thomas_algorithm.h:189:3: warning: use c++17 style variable templates [modernize-type-traits] -/github/workspace/biodynamo/build/include/core/util/root.h:28:3: note: expanded from macro 'BDM_CLASS_DEF_OVERRIDE' - 28 | ClassDefOverride(class_name, class_version_id) - | ^ -/github/workspace/biodynamo/build/third_party/root/include/Rtypes.h:342:4: note: expanded from macro 'ClassDefOverride' - 342 | _ClassDefOutline_(name,id,,override) \ - | ^ -/github/workspace/biodynamo/build/third_party/root/include/Rtypes.h:304:4: note: expanded from macro '_ClassDefOutline_' - 304 | _ClassDefBase_(name,id, virtual_keyword, overrd) \ - | ^ -/github/workspace/biodynamo/build/third_party/root/include/Rtypes.h:273:18: note: expanded from macro '_ClassDefBase_' - 273 | static_assert(std::is_integral::value, \ - | ^ Suppressed 102227 warnings (102065 in non-user code, 162 NOLINT). Use -header-filter=.* to display errors from all non-system headers. Use -system-headers to display errors from system headers as well. src/hyperparams.h: clang-tidy-18 -p=build -line-filter=[{\"name\":\"src/cart_cell.cc\",\"lines\":[[1,321]]},{\"name\":\"src/cart_cell.h\",\"lines\":[[1,250]]},{\"name\":\"src/cart_tumor.cc\",\"lines\":[[1,133]]},{\"name\":\"src/cart_tumor.h\",\"lines\":[[1,36]]},{\"name\":\"src/diffusion_thomas_algorithm.cc\",\"lines\":[[1,319]]},{\"name\":\"src/diffusion_thomas_algorithm.h\",\"lines\":[[1,194]]},{\"name\":\"src/forces_tumor_cart.cc\",\"lines\":[[1,163]]},{\"name\":\"src/forces_tumor_cart.h\",\"lines\":[[1,60]]},{\"name\":\"src/hyperparams.h\",\"lines\":[[1,216]]},{\"name\":\"src/tumor_cell.cc\",\"lines\":[[1,673]]},{\"name\":\"src/tumor_cell.h\",\"lines\":[[1,301]]},{\"name\":\"src/utils_aux.cc\",\"lines\":[[1,176]]},{\"name\":\"src/utils_aux.h\",\"lines\":[[1,96]]}] --enable-check-profile -store-check-profile=clang-tidy-review-profile --config-file=.clang-tidy --export-fixes=/tmp/tmpb2o1s_sd/tmpg5dwfux3.yaml src/hyperparams.h diff --git a/src/cart_cell.h b/src/cart_cell.h index 27f49f5..652be52 100644 --- a/src/cart_cell.h +++ b/src/cart_cell.h @@ -22,6 +22,7 @@ #ifndef CART_CELL_H_ #define CART_CELL_H_ +#include "core/util/root.h" #include "core/agent/agent.h" #include "core/agent/cell.h" #include "core/behavior/behavior.h" diff --git a/src/diffusion_thomas_algorithm.h b/src/diffusion_thomas_algorithm.h index 3393e97..9f60231 100644 --- a/src/diffusion_thomas_algorithm.h +++ b/src/diffusion_thomas_algorithm.h @@ -24,7 +24,9 @@ #include #include -#include "biodynamo.h" +#include +#include "core/real_t.h" +#include "core/util/root.h" #include "core/diffusion/diffusion_grid.h" namespace bdm { @@ -35,7 +37,24 @@ namespace bdm { /// Uses the Thomas algorithm for solving tridiagonal systems efficiently. class DiffusionThomasAlgorithm : public DiffusionGrid { public: - DiffusionThomasAlgorithm() = default; + DiffusionThomasAlgorithm() + : resolution_(0), + d_space_(0.0), + thomas_denom_x_(), + thomas_c_x_(), + thomas_denom_y_(), + thomas_c_y_(), + thomas_denom_z_(), + thomas_c_z_(), + jump_i_(0), + jump_j_(0), + jump_k_(0), + constant1_(0.0), + constant1a_(0.0), + constant2_(0.0), + constant3_(0.0), + constant3a_(0.0), + dirichlet_border_(false) {} DiffusionThomasAlgorithm(int substance_id, std::string substance_name, real_t dc, real_t mu, int resolution, real_t dt, @@ -43,8 +62,8 @@ class DiffusionThomasAlgorithm : public DiffusionGrid { /// Concentration setters void SetConcentration(real_t x, real_t y, real_t z, real_t amount) { - SetConcentration(GetBoxIndex(x, y, z), amount); - }; + SetConcentration(GetBoxIndex(static_cast(x), static_cast(y), static_cast(z)), amount); + } void SetConcentration(size_t idx, real_t amount); @@ -111,28 +130,37 @@ class DiffusionThomasAlgorithm : public DiffusionGrid { void ComputeConsumptionsSecretions(); private: + /// Number of voxels in each spatial direction + // NOLINTNEXTLINE(readability-identifier-naming) size_t resolution_; /// Voxel side length in micrometers + // NOLINTNEXTLINE(readability-identifier-naming) real_t d_space_; /// Denominators for x-direction Thomas algorithm + // NOLINTNEXTLINE(readability-identifier-naming) std::vector thomas_denom_x_; /// Coefficients for x-direction Thomas algorithm + // NOLINTNEXTLINE(readability-identifier-naming) std::vector thomas_c_x_; /// Denominators for y-direction Thomas algorithm + // NOLINTNEXTLINE(readability-identifier-naming) std::vector thomas_denom_y_; /// Coefficients for y-direction Thomas algorithm + // NOLINTNEXTLINE(readability-identifier-naming) std::vector thomas_c_y_; /// Denominators for z-direction Thomas algorithm + // NOLINTNEXTLINE(readability-identifier-naming) std::vector thomas_denom_z_; /// Coefficients for z-direction Thomas algorithm + // NOLINTNEXTLINE(readability-identifier-naming) std::vector thomas_c_z_; /// Index jump for i-direction (x-axis) @@ -144,22 +172,29 @@ class DiffusionThomasAlgorithm : public DiffusionGrid { /// Index jump for k-direction (z-axis) int jump_k_; + /// First diffusion constant + // NOLINTNEXTLINE(readability-identifier-naming) real_t constant1_; /// Alternative first diffusion constant + // NOLINTNEXTLINE(readability-identifier-naming) real_t constant1a_; /// Second diffusion constant + // NOLINTNEXTLINE(readability-identifier-naming) real_t constant2_; /// Third diffusion constant + // NOLINTNEXTLINE(readability-identifier-naming) real_t constant3_; /// Alternative third diffusion constant + // NOLINTNEXTLINE(readability-identifier-naming) real_t constant3a_; /// Flag indicating Dirichlet boundary conditions + // NOLINTNEXTLINE(readability-identifier-naming) bool dirichlet_border_; /// Initialize Thomas algorithm coefficient vectors From d674533ca0b60f861790aae3d73c05e0f1e57f7c Mon Sep 17 00:00:00 2001 From: salva24 Date: Wed, 27 Aug 2025 17:49:23 +0200 Subject: [PATCH 29/47] hyperameters.h tidy --- clang_output.txt | 54 +---------------------------------------------- src/cart_cell.cc | 2 +- src/cart_tumor.cc | 2 +- src/hyperparams.h | 14 ++++++------ src/tumor_cell.cc | 2 +- 5 files changed, 11 insertions(+), 63 deletions(-) diff --git a/clang_output.txt b/clang_output.txt index 72deb87..2e98143 100644 --- a/clang_output.txt +++ b/clang_output.txt @@ -1,56 +1,4 @@ -Suppressed 102227 warnings (102065 in non-user code, 162 NOLINT). -Use -header-filter=.* to display errors from all non-system headers. Use -system-headers to display errors from system headers as well. -src/hyperparams.h: clang-tidy-18 -p=build -line-filter=[{\"name\":\"src/cart_cell.cc\",\"lines\":[[1,321]]},{\"name\":\"src/cart_cell.h\",\"lines\":[[1,250]]},{\"name\":\"src/cart_tumor.cc\",\"lines\":[[1,133]]},{\"name\":\"src/cart_tumor.h\",\"lines\":[[1,36]]},{\"name\":\"src/diffusion_thomas_algorithm.cc\",\"lines\":[[1,319]]},{\"name\":\"src/diffusion_thomas_algorithm.h\",\"lines\":[[1,194]]},{\"name\":\"src/forces_tumor_cart.cc\",\"lines\":[[1,163]]},{\"name\":\"src/forces_tumor_cart.h\",\"lines\":[[1,60]]},{\"name\":\"src/hyperparams.h\",\"lines\":[[1,216]]},{\"name\":\"src/tumor_cell.cc\",\"lines\":[[1,673]]},{\"name\":\"src/tumor_cell.h\",\"lines\":[[1,301]]},{\"name\":\"src/utils_aux.cc\",\"lines\":[[1,176]]},{\"name\":\"src/utils_aux.h\",\"lines\":[[1,96]]}] --enable-check-profile -store-check-profile=clang-tidy-review-profile --config-file=.clang-tidy --export-fixes=/tmp/tmpb2o1s_sd/tmpg5dwfux3.yaml src/hyperparams.h -/github/workspace/src/hyperparams.h:22:9: warning: header guard does not follow preferred style [llvm-header-guard] - 22 | #ifndef TUMOR_HYPERPARAMS_H_ - | ^~~~~~~~~~~~~~~~~~~~ - | GITHUB_WORKSPACE_SRC_HYPERPARAMS_H - 23 | #define TUMOR_HYPERPARAMS_H_ - | ~~~~~~~~~~~~~~~~~~~~ - | GITHUB_WORKSPACE_SRC_HYPERPARAMS_H -/github/workspace/src/hyperparams.h:25:1: warning: #includes are not sorted properly [llvm-include-order] - 25 | #include - | ^ -note: this fix will not be applied because it overlaps with another fix -/github/workspace/src/hyperparams.h:26:1: warning: included header biodynamo.h is not used directly [misc-include-cleaner] - 26 | #include "biodynamo.h" - | ^~~~~~~~~~~~~~~~~~~~~~ - 27 | -/github/workspace/src/hyperparams.h:39:11: warning: no header providing "bdm::real_t" is directly included [misc-include-cleaner] - 27 | - 28 | namespace bdm { - 29 | - 30 | /// This file contains hyperparameters used in the simulation. Change: In a - 31 | /// future version it needs to be changed into a params file with no need to be - 32 | /// recompiled - 33 | - 34 | /// - 35 | /// TumorCell Hyperparameters - 36 | /// - 37 | - 38 | /// Rate of secretion of immunostimulatory factor of tumor cells per minute - 39 | constexpr real_t kRateSecretionImmunostimulatoryFactor = 10.0; - | ^ -/github/workspace/src/hyperparams.h:128:6: warning: result of integer division used in a floating point context; possible loss of precision [bugprone-integer-division] - 128 | (kBoundedSpaceLength / kResolutionGridSubstances) * - | ^ -/github/workspace/src/hyperparams.h:129:6: warning: result of integer division used in a floating point context; possible loss of precision [bugprone-integer-division] - 129 | (kBoundedSpaceLength / kResolutionGridSubstances) * - | ^ -/github/workspace/src/hyperparams.h:130:6: warning: result of integer division used in a floating point context; possible loss of precision [bugprone-integer-division] - 130 | (kBoundedSpaceLength / - | ^ -/github/workspace/src/hyperparams.h:189:14: warning: invalid case style for global constant 'kLengthBoxMechanics' [readability-identifier-naming] - 189 | const real_t kLengthBoxMechanics = - | ^~~~~~~~~~~~~~~~~~~ - | gKLengthBoxMechanics -/github/workspace/src/hyperparams.h:194:14: warning: invalid case style for global constant 'kSquaredMaxDistanceNeighborsForce' [readability-identifier-naming] - 194 | const real_t kSquaredMaxDistanceNeighborsForce = std::pow( - | ^~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~ - | gKSquaredMaxDistanceNeighborsForce -/github/workspace/src/hyperparams.h:195:54: warning: no header providing "bdm::Math" is directly included [misc-include-cleaner] - 27 | 0.1 + std::cbrt(kDefaultVolumeNewTumorCell * 6 / Math::kPi) * - | ^ + ^ 102078 warnings generated. Suppressed 102230 warnings (102068 in non-user code, 162 NOLINT). Use -header-filter=.* to display errors from all non-system headers. Use -system-headers to display errors from system headers as well. diff --git a/src/cart_cell.cc b/src/cart_cell.cc index d5ce7df..cfbcab8 100644 --- a/src/cart_cell.cc +++ b/src/cart_cell.cc @@ -159,7 +159,7 @@ Real3 CartCell::CalculateDisplacement(const InteractionForce* force, Real3 movement_at_next_step{0, 0, 0}; // this should be chaged in a future version of BioDynaMo in order to have a // cleaner code instead of hardcoding it here - squared_radius = kSquaredMaxDistanceNeighborsForce; + squared_radius = gKSquaredMaxDistanceNeighborsForce; // the physics force to move the point mass diff --git a/src/cart_tumor.cc b/src/cart_tumor.cc index 35c5fdc..e7ee81a 100644 --- a/src/cart_tumor.cc +++ b/src/cart_tumor.cc @@ -56,7 +56,7 @@ int Simulate(int argc, const char** argv) { auto* env = dynamic_cast( Simulation::GetActive()->GetEnvironment()); // Fix the box length for the uniform grid environment - env->SetBoxLength(kLengthBoxMechanics); + env->SetBoxLength(gKLengthBoxMechanics); // Define Substances auto* rm = Simulation::GetActive()->GetResourceManager(); diff --git a/src/hyperparams.h b/src/hyperparams.h index 272b663..15c1af4 100644 --- a/src/hyperparams.h +++ b/src/hyperparams.h @@ -23,7 +23,8 @@ #define TUMOR_HYPERPARAMS_H_ #include -#include "biodynamo.h" +#include "core/real_t.h" +#include "core/util/math.h" namespace bdm { @@ -125,10 +126,9 @@ constexpr real_t kReductionConsumptionDeadCells = 0.1; constexpr int kResolutionGridSubstances = 50; // 50 // voxels per axis /// Volume of a single voxel in μm³ (do not modify this line) constexpr real_t kVoxelVolume = - (kBoundedSpaceLength / kResolutionGridSubstances) * - (kBoundedSpaceLength / kResolutionGridSubstances) * - (kBoundedSpaceLength / - kResolutionGridSubstances); // Do not modify this line + (static_cast(kBoundedSpaceLength) / kResolutionGridSubstances) * + (static_cast(kBoundedSpaceLength) / kResolutionGridSubstances) * + (static_cast(kBoundedSpaceLength) / kResolutionGridSubstances); // Do not modify this line /// Diffusion coefficient of oxygen in μm²/min constexpr real_t kDiffusionCoefficientOxygen = 100000; // 100000 micrometers^2/minute @@ -186,12 +186,12 @@ constexpr real_t kDnew = 1.5 * kDtMechanics; constexpr real_t kDold = -0.5 * kDtMechanics; /// Do not change this line -const real_t kLengthBoxMechanics = +const real_t gKLengthBoxMechanics = 22; // Length of the box for mechanics in micrometers /// Max Distance for considering two cells as neighbours for force calculations /// in μm Do not change this line -const real_t kSquaredMaxDistanceNeighborsForce = std::pow( +const real_t gKSquaredMaxDistanceNeighborsForce = std::pow( 0.1 + std::cbrt(kDefaultVolumeNewTumorCell * 6 / Math::kPi) * kMaxRelativeAdhesionDistance, 2); // (twice biggest cell radius (in case to cells tha maximum size diff --git a/src/tumor_cell.cc b/src/tumor_cell.cc index 3282d31..c3eb24b 100644 --- a/src/tumor_cell.cc +++ b/src/tumor_cell.cc @@ -277,7 +277,7 @@ Real3 TumorCell::CalculateDisplacement(const InteractionForce* force, Real3 movement_at_next_step{0, 0, 0}; // this should be chaged in a future version of BioDynaMo in order to have a // cleaner code instead of hardcoding it here - squared_radius = kSquaredMaxDistanceNeighborsForce; + squared_radius = gKSquaredMaxDistanceNeighborsForce; Real3 translation_velocity_on_point_mass{0, 0, 0}; From e4e77d2509f396a4960d050377363f2dfff5979f Mon Sep 17 00:00:00 2001 From: salva24 Date: Thu, 28 Aug 2025 12:01:05 +0200 Subject: [PATCH 30/47] tidy more files: tumor_cell.h --- clang_output.txt | 323 ------------------------------- src/cart_cell.h | 1 + src/cart_tumor.cc | 4 +- src/diffusion_thomas_algorithm.h | 3 + src/tumor_cell.h | 113 ++++++++--- src/utils_aux.h | 16 +- 6 files changed, 106 insertions(+), 354 deletions(-) diff --git a/clang_output.txt b/clang_output.txt index 2e98143..300ea02 100644 --- a/clang_output.txt +++ b/clang_output.txt @@ -1,326 +1,3 @@ - ^ -102078 warnings generated. -Suppressed 102230 warnings (102068 in non-user code, 162 NOLINT). -Use -header-filter=.* to display errors from all non-system headers. Use -system-headers to display errors from system headers as well. -src/utils_aux.h: clang-tidy-18 -p=build -line-filter=[{\"name\":\"src/cart_cell.cc\",\"lines\":[[1,321]]},{\"name\":\"src/cart_cell.h\",\"lines\":[[1,250]]},{\"name\":\"src/cart_tumor.cc\",\"lines\":[[1,133]]},{\"name\":\"src/cart_tumor.h\",\"lines\":[[1,36]]},{\"name\":\"src/diffusion_thomas_algorithm.cc\",\"lines\":[[1,319]]},{\"name\":\"src/diffusion_thomas_algorithm.h\",\"lines\":[[1,194]]},{\"name\":\"src/forces_tumor_cart.cc\",\"lines\":[[1,163]]},{\"name\":\"src/forces_tumor_cart.h\",\"lines\":[[1,60]]},{\"name\":\"src/hyperparams.h\",\"lines\":[[1,216]]},{\"name\":\"src/tumor_cell.cc\",\"lines\":[[1,673]]},{\"name\":\"src/tumor_cell.h\",\"lines\":[[1,301]]},{\"name\":\"src/utils_aux.cc\",\"lines\":[[1,176]]},{\"name\":\"src/utils_aux.h\",\"lines\":[[1,96]]}] --enable-check-profile -store-check-profile=clang-tidy-review-profile --config-file=.clang-tidy --export-fixes=/tmp/tmpb2o1s_sd/tmpxixo3_4q.yaml src/utils_aux.h -/github/workspace/src/utils_aux.h:22:9: warning: header guard does not follow preferred style [llvm-header-guard] - 22 | #ifndef CORE_UTIL_UTILS_AUX_H_ - | ^~~~~~~~~~~~~~~~~~~~~~ - | GITHUB_WORKSPACE_SRC_UTILS_AUX_H - 23 | #define CORE_UTIL_UTILS_AUX_H_ - | ~~~~~~~~~~~~~~~~~~~~~~ - | GITHUB_WORKSPACE_SRC_UTILS_AUX_H -/github/workspace/src/utils_aux.h:25:1: warning: #includes are not sorted properly [llvm-include-order] - 25 | #include - | ^ -note: this fix will not be applied because it overlaps with another fix -/github/workspace/src/utils_aux.h:28:1: warning: included header biodynamo.h is not used directly [misc-include-cleaner] - 28 | #include "biodynamo.h" - | ^~~~~~~~~~~~~~~~~~~~~~ - 29 | -/github/workspace/src/utils_aux.h:42:1: warning: no header providing "bdm::real_t" is directly included [misc-include-cleaner] - 29 | - 30 | namespace bdm { - 31 | /// Forward declaration of TumorCell class - 32 | class TumorCell; - 33 | - 34 | /// Sample a positive Gaussian value - 35 | /// - 36 | /// Samples a Gaussian value with given mean and standard deviation. - 37 | /// All negative values are mapped to zero to ensure positive results. - 38 | /// - 39 | /// @param mean Mean value of the Gaussian distribution - 40 | /// @param sigma Standard deviation of the Gaussian distribution - 41 | /// @return Sampled positive value (negative values mapped to zero) - 42 | real_t SamplePositiveGaussian(float mean, float sigma); - | ^ -/github/workspace/src/utils_aux.h:53:13: warning: no header providing "bdm::Real3" is directly included [misc-include-cleaner] - 29 | std::vector CreateSphereOfTumorCells(real_t sphere_radius); - | ^ -/github/workspace/src/utils_aux.h:68:12: warning: no header providing "size_t" is directly included [misc-include-cleaner] - 25 | std::tuple - | ^ -/github/workspace/src/utils_aux.h:76:31: warning: no header providing "bdm::StandaloneOperationImpl" is directly included [misc-include-cleaner] - 29 | struct OutputSummary : public StandaloneOperationImpl { - | ^ -/github/workspace/src/utils_aux.h:77:3: warning: returning a newly created resource of type 'OutputSummary *' or 'gsl::owner<>' from a function whose return type is not 'gsl::owner<>' [cppcoreguidelines-owning-memory] - 77 | BDM_OP_HEADER(OutputSummary); - | ^ -/github/workspace/biodynamo/build/include/core/operation/operation_registry.h:96:34: note: expanded from macro 'BDM_OP_HEADER' - 96 | class_name *Clone() override { return new class_name(*this); } - | ^~~~~~~~~~~~~~~~~~~~~~~~~~~~ -/github/workspace/src/utils_aux.h:77:3: warning: no header providing "BDM_OP_HEADER" is directly included [misc-include-cleaner] - 29 | BDM_OP_HEADER(OutputSummary); - | ^ -/github/workspace/src/utils_aux.h:80:12: warning: member variable 'frequency_' has public visibility [misc-non-private-member-variables-in-classes] - 80 | uint64_t frequency_ = 1; - | ^ -/github/workspace/src/utils_aux.h:80:12: warning: invalid case style for public member 'frequency_' [readability-identifier-naming] - 80 | uint64_t frequency_ = 1; - | ^~~~~~~~~~ - | frequency -/github/workspace/src/utils_aux.h:92:8: warning: initializing non-owner argument of type 'OperationImpl *' with a newly created 'gsl::owner<>' [cppcoreguidelines-owning-memory] - 92 | inline BDM_REGISTER_OP(OutputSummary, "OutputSummary", kCpu); - | ^ -/github/workspace/biodynamo/build/include/core/operation/operation_registry.h:66:38: note: expanded from macro 'BDM_REGISTER_OP' - 66 | name, OpComputeTarget::target, new op()); - | ^~~~~~~~ -/github/workspace/src/utils_aux.h:92:8: warning: no header providing "BDM_REGISTER_OP" is directly included [misc-include-cleaner] - 92 | inline BDM_REGISTER_OP(OutputSummary, "OutputSummary", kCpu); - | ^ -102077 warnings generated. -Suppressed 102226 warnings (102064 in non-user code, 162 NOLINT). -Use -header-filter=.* to display errors from all non-system headers. Use -system-headers to display errors from system headers as well. -src/tumor_cell.h: clang-tidy-18 -p=build -line-filter=[{\"name\":\"src/cart_cell.cc\",\"lines\":[[1,321]]},{\"name\":\"src/cart_cell.h\",\"lines\":[[1,250]]},{\"name\":\"src/cart_tumor.cc\",\"lines\":[[1,133]]},{\"name\":\"src/cart_tumor.h\",\"lines\":[[1,36]]},{\"name\":\"src/diffusion_thomas_algorithm.cc\",\"lines\":[[1,319]]},{\"name\":\"src/diffusion_thomas_algorithm.h\",\"lines\":[[1,194]]},{\"name\":\"src/forces_tumor_cart.cc\",\"lines\":[[1,163]]},{\"name\":\"src/forces_tumor_cart.h\",\"lines\":[[1,60]]},{\"name\":\"src/hyperparams.h\",\"lines\":[[1,216]]},{\"name\":\"src/tumor_cell.cc\",\"lines\":[[1,673]]},{\"name\":\"src/tumor_cell.h\",\"lines\":[[1,301]]},{\"name\":\"src/utils_aux.cc\",\"lines\":[[1,176]]},{\"name\":\"src/utils_aux.h\",\"lines\":[[1,96]]}] --enable-check-profile -store-check-profile=clang-tidy-review-profile --config-file=.clang-tidy --export-fixes=/tmp/tmpb2o1s_sd/tmpuq5_761j.yaml src/tumor_cell.h -102128 warnings generated. -Suppressed 102235 warnings (102073 in non-user code, 162 NOLINT). -Use -header-filter=.* to display errors from all non-system headers. Use -system-headers to display errors from system headers as well. -/github/workspace/src/tumor_cell.h:22:9: warning: header guard does not follow preferred style [llvm-header-guard] - 22 | #ifndef TUMOR_CELL_H_ - | ^~~~~~~~~~~~~ - | GITHUB_WORKSPACE_SRC_TUMOR_CELL_H - 23 | #define TUMOR_CELL_H_ - | ~~~~~~~~~~~~~ - | GITHUB_WORKSPACE_SRC_TUMOR_CELL_H -/github/workspace/src/tumor_cell.h:25:1: warning: included header biodynamo.h is not used directly [misc-include-cleaner] - 25 | #include "biodynamo.h" - | ^~~~~~~~~~~~~~~~~~~~~~ - 26 | -/github/workspace/src/tumor_cell.h:61:7: warning: class 'TumorCell' defines a non-default destructor but does not define a copy constructor, a copy assignment operator, a move constructor or a move assignment operator [cppcoreguidelines-special-member-functions] - 61 | class TumorCell : public Cell { - | ^ -/github/workspace/src/tumor_cell.h:61:26: warning: no header providing "bdm::Cell" is directly included [misc-include-cleaner] - 26 | class TumorCell : public Cell { - | ^ -/github/workspace/src/tumor_cell.h:62:3: warning: returning a newly created resource of type 'Agent *' or 'gsl::owner<>' from a function whose return type is not 'gsl::owner<>' [cppcoreguidelines-owning-memory] - 62 | BDM_AGENT_HEADER(TumorCell, Cell, 1); - | ^ -/github/workspace/biodynamo/build/include/core/agent/agent.h:59:33: note: expanded from macro 'BDM_AGENT_HEADER' - 59 | Agent* New() const override { return new class_name(); } \ - | ^~~~~~~~~~~~~~~~~~~~~~~ -/github/workspace/src/tumor_cell.h:62:3: warning: constructor does not initialize these fields: state_, timer_state_, oxygen_dgrid_, immunostimulatory_factor_dgrid_, oncoproteine_level_, transformation_random_rate_, attached_to_cart_, fluid_fraction_, nuclear_volume_, target_cytoplasm_solid_, target_nucleus_solid_, target_fraction_fluid_, target_relation_cytoplasm_nucleus_, type_, oxygen_consumption_rate_, immunostimulatory_factor_secretion_rate_, constant1_oxygen_, constant2_oxygen_, constant1_immunostimulatory_factor_, constant2_immunostimulatory_factor_ [cppcoreguidelines-pro-type-member-init] - 62 | BDM_AGENT_HEADER(TumorCell, Cell, 1); - | ^ -/github/workspace/biodynamo/build/include/core/agent/agent.h:56:3: note: expanded from macro 'BDM_AGENT_HEADER' - 56 | explicit class_name(TRootIOCtor* io_ctor) {} \ - | ^ -/github/workspace/src/tumor_cell.h:62:3: warning: do not use 'else' after 'return' [llvm-else-after-return,readability-else-after-return] - 62 | BDM_AGENT_HEADER(TumorCell, Cell, 1); - | ^~~~~~~~~~~~~~~~ -/github/workspace/biodynamo/build/include/core/agent/agent.h:72:3: note: expanded from macro 'BDM_AGENT_HEADER' - 72 | BDM_CLASS_DEF_OVERRIDE(class_name, class_version_id) - | ^~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~ -/github/workspace/biodynamo/build/include/core/util/root.h:28:3: note: expanded from macro 'BDM_CLASS_DEF_OVERRIDE' - 28 | ClassDefOverride(class_name, class_version_id) - | ^~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~ -/github/workspace/biodynamo/build/third_party/root/include/Rtypes.h:342:4: note: expanded from macro 'ClassDefOverride' - 342 | _ClassDefOutline_(name,id,,override) \ - | ^~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~ -/github/workspace/biodynamo/build/third_party/root/include/Rtypes.h:304:4: note: expanded from macro '_ClassDefOutline_' - 304 | _ClassDefBase_(name,id, virtual_keyword, overrd) \ - | ^~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~ -/github/workspace/biodynamo/build/third_party/root/include/Rtypes.h:280:9: note: expanded from macro '_ClassDefBase_' - 280 | } else if (recurseBlocker == 1) { \ - | ^~~~ -/github/workspace/src/tumor_cell.h:62:3: warning: no header providing "BDM_AGENT_HEADER" is directly included [misc-include-cleaner] - 62 | BDM_AGENT_HEADER(TumorCell, Cell, 1); - | ^ -/github/workspace/src/tumor_cell.h:62:3: warning: parameter 'io_ctor' is unused [misc-unused-parameters] -/github/workspace/biodynamo/build/include/core/agent/agent.h:56:36: note: expanded from macro 'BDM_AGENT_HEADER' - 56 | explicit class_name(TRootIOCtor* io_ctor) {} \ - | ^ -/github/workspace/src/tumor_cell.h:62:3: warning: use c++17 style variable templates [modernize-type-traits] - 62 | BDM_AGENT_HEADER(TumorCell, Cell, 1); - | ^ -/github/workspace/biodynamo/build/include/core/agent/agent.h:72:3: note: expanded from macro 'BDM_AGENT_HEADER' - 72 | BDM_CLASS_DEF_OVERRIDE(class_name, class_version_id) - | ^ -/github/workspace/biodynamo/build/include/core/util/root.h:28:3: note: expanded from macro 'BDM_CLASS_DEF_OVERRIDE' - 28 | ClassDefOverride(class_name, class_version_id) - | ^ -/github/workspace/biodynamo/build/third_party/root/include/Rtypes.h:342:4: note: expanded from macro 'ClassDefOverride' - 342 | _ClassDefOutline_(name,id,,override) \ - | ^ -/github/workspace/biodynamo/build/third_party/root/include/Rtypes.h:304:4: note: expanded from macro '_ClassDefOutline_' - 304 | _ClassDefBase_(name,id, virtual_keyword, overrd) \ - | ^ -/github/workspace/biodynamo/build/third_party/root/include/Rtypes.h:273:18: note: expanded from macro '_ClassDefBase_' - 273 | static_assert(std::is_integral::value, \ - | ^ -/github/workspace/src/tumor_cell.h:65:3: warning: constructor does not initialize these fields: state_, timer_state_, oxygen_dgrid_, immunostimulatory_factor_dgrid_, oncoproteine_level_, transformation_random_rate_, attached_to_cart_, fluid_fraction_, nuclear_volume_, target_cytoplasm_solid_, target_nucleus_solid_, target_fraction_fluid_, target_relation_cytoplasm_nucleus_, type_, oxygen_consumption_rate_, immunostimulatory_factor_secretion_rate_, constant1_oxygen_, constant2_oxygen_, constant1_immunostimulatory_factor_, constant2_immunostimulatory_factor_ [cppcoreguidelines-pro-type-member-init] - 65 | TumorCell() {} - | ^ -/github/workspace/src/tumor_cell.h:65:3: warning: use '= default' to define a trivial default constructor [modernize-use-equals-default] - 65 | TumorCell() {} - | ^ ~~ - | = default; -/github/workspace/src/tumor_cell.h:67:28: warning: no header providing "bdm::Real3" is directly included [misc-include-cleaner] - 26 | explicit TumorCell(const Real3& position); - | ^ -/github/workspace/src/tumor_cell.h:69:11: warning: prefer using 'override' or (rarely) 'final' instead of 'virtual' [cppcoreguidelines-explicit-virtual-functions,modernize-use-override] - 69 | virtual ~TumorCell() {} - | ~~~~~~~ ^ - | override -/github/workspace/src/tumor_cell.h:69:11: warning: use '= default' to define a trivial destructor [modernize-use-equals-default] - 69 | virtual ~TumorCell() {} - | ^ ~~ - | = default; -/github/workspace/src/tumor_cell.h:73:25: warning: no header providing "bdm::NewAgentEvent" is directly included [misc-include-cleaner] - 26 | void Initialize(const NewAgentEvent& event) override; - | ^ -/github/workspace/src/tumor_cell.h:82:29: warning: no header providing "bdm::real_t" is directly included [misc-include-cleaner] - 26 | void SetOncoproteineLevel(real_t level); - | ^ -/github/workspace/src/tumor_cell.h:147:3: warning: no header providing "bdm::DiffusionGrid" is directly included [misc-include-cleaner] - 26 | DiffusionGrid* GetOxygenDiffusionGrid() const { return oxygen_dgrid_; } - | ^ -/github/workspace/src/tumor_cell.h:177:37: warning: no header providing "bdm::InteractionForce" is directly included [misc-include-cleaner] - 26 | Real3 CalculateDisplacement(const InteractionForce* force, - | ^ -/github/workspace/src/tumor_cell.h:200:18: warning: invalid case style for private member 'state_' [readability-identifier-naming] - 76 | TumorCellState state_; - | ^~~~~~ - | state -/github/workspace/src/tumor_cell.h:203:7: warning: invalid case style for private member 'timer_state_' [readability-identifier-naming] - 79 | int timer_state_; - | ^~~~~~~~~~~~ - | timer_state -/github/workspace/src/tumor_cell.h:206:18: warning: invalid case style for private member 'oxygen_dgrid_' [readability-identifier-naming] - 147 | DiffusionGrid* oxygen_dgrid_; - | ^~~~~~~~~~~~~ - | oxygen_dgrid -/github/workspace/src/tumor_cell.h:209:18: warning: invalid case style for private member 'immunostimulatory_factor_dgrid_' [readability-identifier-naming] - 150 | DiffusionGrid* immunostimulatory_factor_dgrid_; - | ^~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~ - | immunostimulatory_factor_dgrid -/github/workspace/src/tumor_cell.h:212:10: warning: invalid case style for private member 'oncoproteine_level_' [readability-identifier-naming] - 83 | real_t oncoproteine_level_; - | ^~~~~~~~~~~~~~~~~~~ - | oncoproteine_level -/github/workspace/src/tumor_cell.h:217:10: warning: invalid case style for private member 'transformation_random_rate_' [readability-identifier-naming] - 120 | real_t transformation_random_rate_; - | ^~~~~~~~~~~~~~~~~~~~~~~~~~~ - | transformation_random_rate -/github/workspace/src/tumor_cell.h:220:8: warning: invalid case style for private member 'attached_to_cart_' [readability-identifier-naming] - 123 | bool attached_to_cart_; - | ^~~~~~~~~~~~~~~~~ - | attached_to_cart -/github/workspace/src/tumor_cell.h:223:10: warning: invalid case style for private member 'fluid_fraction_' [readability-identifier-naming] - 86 | real_t fluid_fraction_; - | ^~~~~~~~~~~~~~~ - | fluid_fraction -/github/workspace/src/tumor_cell.h:226:10: warning: invalid case style for private member 'nuclear_volume_' [readability-identifier-naming] - 91 | real_t nuclear_volume_; - | ^~~~~~~~~~~~~~~ - | nuclear_volume -/github/workspace/src/tumor_cell.h:232:10: warning: invalid case style for private member 'target_cytoplasm_solid_' [readability-identifier-naming] - 96 | real_t target_cytoplasm_solid_; - | ^~~~~~~~~~~~~~~~~~~~~~~ - | target_cytoplasm_solid -/github/workspace/src/tumor_cell.h:235:10: warning: invalid case style for private member 'target_nucleus_solid_' [readability-identifier-naming] - 101 | real_t target_nucleus_solid_; - | ^~~~~~~~~~~~~~~~~~~~~ - | target_nucleus_solid -/github/workspace/src/tumor_cell.h:238:10: warning: invalid case style for private member 'target_fraction_fluid_' [readability-identifier-naming] - 106 | real_t target_fraction_fluid_; - | ^~~~~~~~~~~~~~~~~~~~~~ - | target_fraction_fluid -/github/workspace/src/tumor_cell.h:241:10: warning: invalid case style for private member 'target_relation_cytoplasm_nucleus_' [readability-identifier-naming] - 112 | real_t target_relation_cytoplasm_nucleus_; - | ^~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~ - | target_relation_cytoplasm_nucleus -/github/workspace/src/tumor_cell.h:246:7: warning: invalid case style for private member 'type_' [readability-identifier-naming] - 126 | int type_; - | ^~~~~ - | type -/github/workspace/src/tumor_cell.h:249:9: warning: invalid case style for private member 'older_velocity_' [readability-identifier-naming] - 129 | Real3 older_velocity_; - | ^~~~~~~~~~~~~~~ - | older_velocity -/github/workspace/src/tumor_cell.h:252:10: warning: invalid case style for private member 'oxygen_consumption_rate_' [readability-identifier-naming] - 132 | real_t oxygen_consumption_rate_; - | ^~~~~~~~~~~~~~~~~~~~~~~~ - | oxygen_consumption_rate -/github/workspace/src/tumor_cell.h:255:10: warning: invalid case style for private member 'immunostimulatory_factor_secretion_rate_' [readability-identifier-naming] - 138 | real_t immunostimulatory_factor_secretion_rate_; - | ^~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~ - | immunostimulatory_factor_secretion_rate -/github/workspace/src/tumor_cell.h:258:10: warning: invalid case style for private member 'constant1_oxygen_' [readability-identifier-naming] - 258 | real_t constant1_oxygen_; - | ^~~~~~~~~~~~~~~~~ - | constant1_oxygen -/github/workspace/src/tumor_cell.h:261:10: warning: invalid case style for private member 'constant2_oxygen_' [readability-identifier-naming] - 261 | real_t constant2_oxygen_; - | ^~~~~~~~~~~~~~~~~ - | constant2_oxygen -/github/workspace/src/tumor_cell.h:265:10: warning: invalid case style for private member 'constant1_immunostimulatory_factor_' [readability-identifier-naming] - 265 | real_t constant1_immunostimulatory_factor_; - | ^~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~ - | constant1_immunostimulatory_factor -/github/workspace/src/tumor_cell.h:269:10: warning: invalid case style for private member 'constant2_immunostimulatory_factor_' [readability-identifier-naming] - 269 | real_t constant2_immunostimulatory_factor_; - | ^~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~ - | constant2_immunostimulatory_factor -/github/workspace/src/tumor_cell.h:278:8: warning: class 'StateControlGrowProliferate' defines a non-default destructor but does not define a copy constructor, a copy assignment operator, a move constructor or a move assignment operator [cppcoreguidelines-special-member-functions] - 278 | struct StateControlGrowProliferate : public Behavior { - | ^ -/github/workspace/src/tumor_cell.h:278:45: warning: no header providing "bdm::Behavior" is directly included [misc-include-cleaner] - 26 | struct StateControlGrowProliferate : public Behavior { - | ^ -/github/workspace/src/tumor_cell.h:279:3: warning: returning a newly created resource of type 'Behavior *' or 'gsl::owner<>' from a function whose return type is not 'gsl::owner<>' [cppcoreguidelines-owning-memory] - 279 | BDM_BEHAVIOR_HEADER(StateControlGrowProliferate, Behavior, 1); - | ^ -/github/workspace/biodynamo/build/include/core/behavior/behavior.h:134:36: note: expanded from macro 'BDM_BEHAVIOR_HEADER' - 134 | Behavior* New() const override { return new class_name(); } \ - | ^~~~~~~~~~~~~~~~~~~~~~~ -/github/workspace/src/tumor_cell.h:279:3: warning: do not use 'else' after 'return' [llvm-else-after-return,readability-else-after-return] - 279 | BDM_BEHAVIOR_HEADER(StateControlGrowProliferate, Behavior, 1); - | ^~~~~~~~~~~~~~~~~~~ -/github/workspace/biodynamo/build/include/core/behavior/behavior.h:139:3: note: expanded from macro 'BDM_BEHAVIOR_HEADER' - 139 | BDM_CLASS_DEF_OVERRIDE(class_name, class_version_id); \ - | ^~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~ -/github/workspace/biodynamo/build/include/core/util/root.h:28:3: note: expanded from macro 'BDM_CLASS_DEF_OVERRIDE' - 28 | ClassDefOverride(class_name, class_version_id) - | ^~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~ -/github/workspace/biodynamo/build/third_party/root/include/Rtypes.h:342:4: note: expanded from macro 'ClassDefOverride' - 342 | _ClassDefOutline_(name,id,,override) \ - | ^~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~ -/github/workspace/biodynamo/build/third_party/root/include/Rtypes.h:304:4: note: expanded from macro '_ClassDefOutline_' - 304 | _ClassDefBase_(name,id, virtual_keyword, overrd) \ - | ^~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~ -/github/workspace/biodynamo/build/third_party/root/include/Rtypes.h:280:9: note: expanded from macro '_ClassDefBase_' - 280 | } else if (recurseBlocker == 1) { \ - | ^~~~ -/github/workspace/src/tumor_cell.h:279:3: warning: no header providing "BDM_BEHAVIOR_HEADER" is directly included [misc-include-cleaner] - 279 | BDM_BEHAVIOR_HEADER(StateControlGrowProliferate, Behavior, 1); - | ^ -/github/workspace/src/tumor_cell.h:279:3: warning: use c++17 style variable templates [modernize-type-traits] -/github/workspace/biodynamo/build/include/core/behavior/behavior.h:139:3: note: expanded from macro 'BDM_BEHAVIOR_HEADER' - 139 | BDM_CLASS_DEF_OVERRIDE(class_name, class_version_id); \ - | ^ -/github/workspace/biodynamo/build/include/core/util/root.h:28:3: note: expanded from macro 'BDM_CLASS_DEF_OVERRIDE' - 28 | ClassDefOverride(class_name, class_version_id) - | ^ -/github/workspace/biodynamo/build/third_party/root/include/Rtypes.h:342:4: note: expanded from macro 'ClassDefOverride' - 342 | _ClassDefOutline_(name,id,,override) \ - | ^ -/github/workspace/biodynamo/build/third_party/root/include/Rtypes.h:304:4: note: expanded from macro '_ClassDefOutline_' - 304 | _ClassDefBase_(name,id, virtual_keyword, overrd) \ - | ^ -/github/workspace/biodynamo/build/third_party/root/include/Rtypes.h:273:18: note: expanded from macro '_ClassDefBase_' - 273 | static_assert(std::is_integral::value, \ - | ^ -/github/workspace/src/tumor_cell.h:283:11: warning: prefer using 'override' or (rarely) 'final' instead of 'virtual' [cppcoreguidelines-explicit-virtual-functions,modernize-use-override] - 283 | virtual ~StateControlGrowProliferate() {} - | ~~~~~~~ ^ - | override -/github/workspace/src/tumor_cell.h:283:11: warning: use '= default' to define a trivial destructor [modernize-use-equals-default] - 283 | virtual ~StateControlGrowProliferate() {} - | ^ ~~ - | = default; -/github/workspace/src/tumor_cell.h:286:12: warning: no header providing "bdm::Agent" is directly included [misc-include-cleaner] - 26 | void Run(Agent* agent) override; - | ^ 102215 warnings generated. Suppressed 102341 warnings (102179 in non-user code, 162 NOLINT). Use -header-filter=.* to display errors from all non-system headers. Use -system-headers to display errors from system headers as well. diff --git a/src/cart_cell.h b/src/cart_cell.h index 652be52..8f0b900 100644 --- a/src/cart_cell.h +++ b/src/cart_cell.h @@ -28,6 +28,7 @@ #include "core/behavior/behavior.h" #include "core/diffusion/diffusion_grid.h" #include "core/container/math_array.h" +#include "core/agent/new_agent_event.h" #include "core/real_t.h" #include "core/interaction_force.h" #include "tumor_cell.h" diff --git a/src/cart_tumor.cc b/src/cart_tumor.cc index e7ee81a..9b272c5 100644 --- a/src/cart_tumor.cc +++ b/src/cart_tumor.cc @@ -115,9 +115,7 @@ int Simulate(int argc, const char** argv) { } // OutputSummary operation - auto* summary_op = new bdm::Operation("OutputSummary"); - // Set the interval for outputting CSV files - summary_op->frequency_ = kOutputCsvInterval; + auto* summary_op = new bdm::Operation("OutputSummary", kOutputCsvInterval); summary_op->AddOperationImpl(bdm::kCpu, new bdm::OutputSummary()); scheduler->ScheduleOp(summary_op); diff --git a/src/diffusion_thomas_algorithm.h b/src/diffusion_thomas_algorithm.h index 9f60231..f865abe 100644 --- a/src/diffusion_thomas_algorithm.h +++ b/src/diffusion_thomas_algorithm.h @@ -164,12 +164,15 @@ class DiffusionThomasAlgorithm : public DiffusionGrid { std::vector thomas_c_z_; /// Index jump for i-direction (x-axis) + // NOLINTNEXTLINE(readability-identifier-naming) int jump_i_; /// Index jump for j-direction (y-axis) + // NOLINTNEXTLINE(readability-identifier-naming) int jump_j_; /// Index jump for k-direction (z-axis) + // NOLINTNEXTLINE(readability-identifier-naming) int jump_k_; diff --git a/src/tumor_cell.h b/src/tumor_cell.h index 0fda21f..95909d1 100644 --- a/src/tumor_cell.h +++ b/src/tumor_cell.h @@ -22,7 +22,17 @@ #ifndef TUMOR_CELL_H_ #define TUMOR_CELL_H_ -#include "biodynamo.h" +#include "core/util/root.h" +#include "core/agent/agent.h" +#include "core/agent/agent.h" // Ensure bdm::Agent is directly included +#include "core/agent/cell.h" +#include "core/behavior/behavior.h" +#include "core/diffusion/diffusion_grid.h" +#include "core/agent/new_agent_event.h" +#include "core/real_t.h" +#include "core/interaction_force.h" +#include "core/resource_manager.h" +#include "core/scheduler.h" #include "core/container/math_array.h" namespace bdm { @@ -59,15 +69,40 @@ enum class TumorCellState : int { /// - Displacement computation applying pushing/adhesive forces between cells /// - Oncoprotein expression levels /// - Interactions with CAR-T cells + class TumorCell : public Cell { BDM_AGENT_HEADER(TumorCell, Cell, 1); public: - TumorCell() {} + TumorCell() + : state_(TumorCellState::kAlive), + timer_state_(0), + oxygen_dgrid_(nullptr), + immunostimulatory_factor_dgrid_(nullptr), + oncoproteine_level_(0.0), + transformation_random_rate_(0.0), + attached_to_cart_(false), + fluid_fraction_(0.0), + nuclear_volume_(0.0), + target_cytoplasm_solid_(0.0), + target_nucleus_solid_(0.0), + target_fraction_fluid_(0.0), + target_relation_cytoplasm_nucleus_(0.0), + type_(0), + oxygen_consumption_rate_(0.0), + immunostimulatory_factor_secretion_rate_(0.0), + constant1_oxygen_(0.0), + constant2_oxygen_(0.0), + constant1_immunostimulatory_factor_(0.0), + constant2_immunostimulatory_factor_(0.0) {} explicit TumorCell(const Real3& position); - virtual ~TumorCell() {} + // Special member functions + TumorCell(const TumorCell&) = default; + TumorCell(TumorCell&&) = default; + + ~TumorCell() override = default; /// Called when a new agent is created (after cell division) /// @param event The new agent event containing initialization data @@ -198,76 +233,97 @@ class TumorCell : public Cell { private: /// Current state of the tumor cell - TumorCellState state_; + // NOLINTNEXTLINE(readability-identifier-naming) + TumorCellState state_ = TumorCellState::kAlive; /// Timer to track time in the current state (in minutes) - int timer_state_; + // NOLINTNEXTLINE(readability-identifier-naming) + int timer_state_ = 0; /// Pointer to the oxygen diffusion grid - DiffusionGrid* oxygen_dgrid_; + // NOLINTNEXTLINE(readability-identifier-naming) + DiffusionGrid* oxygen_dgrid_ = nullptr; /// Pointer to the immunostimulatory factor diffusion grid - DiffusionGrid* immunostimulatory_factor_dgrid_; + // NOLINTNEXTLINE(readability-identifier-naming) + DiffusionGrid* immunostimulatory_factor_dgrid_ = nullptr; /// Level of oncoprotein expression - real_t oncoproteine_level_; + // NOLINTNEXTLINE(readability-identifier-naming) + real_t oncoproteine_level_ = 0.0; /// Transition random rate between states: /// Affects the probability of transitioning and depends on the individual /// cell. This rate is kept constant during the cell's lifetime. - real_t transformation_random_rate_; + // NOLINTNEXTLINE(readability-identifier-naming) + real_t transformation_random_rate_ = 0.0; /// Flag indicating if the cell is attached to a CAR-T cell - bool attached_to_cart_; + // NOLINTNEXTLINE(readability-identifier-naming) + bool attached_to_cart_ = false; /// Fluid fraction of the cell volume - real_t fluid_fraction_; + // NOLINTNEXTLINE(readability-identifier-naming) + real_t fluid_fraction_ = 0.0; /// Volume of the nucleus - real_t nuclear_volume_; + // NOLINTNEXTLINE(readability-identifier-naming) + real_t nuclear_volume_ = 0.0; /// Target cytoplasm solid volume for exponential relaxation /// /// Used for growing or shrinking tumor cells. The volume change follows /// an exponential relaxation equation toward this target volume. - real_t target_cytoplasm_solid_; + // NOLINTNEXTLINE(readability-identifier-naming) + real_t target_cytoplasm_solid_ = 0.0; /// Target nucleus solid volume for exponential relaxation - real_t target_nucleus_solid_; + // NOLINTNEXTLINE(readability-identifier-naming) + real_t target_nucleus_solid_ = 0.0; /// Target fluid fraction for exponential relaxation - real_t target_fraction_fluid_; + // NOLINTNEXTLINE(readability-identifier-naming) + real_t target_fraction_fluid_ = 0.0; /// Target relation between cytoplasm and nucleus volumes - real_t target_relation_cytoplasm_nucleus_; + // NOLINTNEXTLINE(readability-identifier-naming) + real_t target_relation_cytoplasm_nucleus_ = 0.0; /// Cell type according to oncoprotein level: /// Types 1-4: 1 is the most mutated and proliferative type, 4 is the least /// aggressive. Type 5 means the cell is dead. - int type_; + // NOLINTNEXTLINE(readability-identifier-naming) + int type_ = 0; /// Velocity of the cell in the previous time step - Real3 older_velocity_; + // NOLINTNEXTLINE(readability-identifier-naming) + Real3 older_velocity_ = {}; /// Rate of oxygen consumption by the cell - real_t oxygen_consumption_rate_; + // NOLINTNEXTLINE(readability-identifier-naming) + real_t oxygen_consumption_rate_ = 0.0; /// Rate of immunostimulatory factor secretion by the cell - real_t immunostimulatory_factor_secretion_rate_; + // NOLINTNEXTLINE(readability-identifier-naming) + real_t immunostimulatory_factor_secretion_rate_ = 0.0; /// Constant 1 for oxygen consumption/secretion differential equation solution - real_t constant1_oxygen_; + // NOLINTNEXTLINE(readability-identifier-naming) + real_t constant1_oxygen_ = 0.0; /// Constant 2 for oxygen consumption/secretion differential equation solution - real_t constant2_oxygen_; + // NOLINTNEXTLINE(readability-identifier-naming) + real_t constant2_oxygen_ = 0.0; /// Constant 1 for immunostimulatory factor consumption/secretion differential /// equation solution - real_t constant1_immunostimulatory_factor_; + // NOLINTNEXTLINE(readability-identifier-naming) + real_t constant1_immunostimulatory_factor_ = 0.0; /// Constant 2 for immunostimulatory factor consumption/secretion differential /// equation solution - real_t constant2_immunostimulatory_factor_; + // NOLINTNEXTLINE(readability-identifier-naming) + real_t constant2_immunostimulatory_factor_ = 0.0; }; /// Behavior class for controlling tumor cell state transitions and growth @@ -276,12 +332,19 @@ class TumorCell : public Cell { /// transitions between different cell states, growth, proliferation, and death /// processes. It includes logic for determining when cells should enter /// necrosis based on oxygen levels and other environmental factors. + struct StateControlGrowProliferate : public Behavior { BDM_BEHAVIOR_HEADER(StateControlGrowProliferate, Behavior, 1); StateControlGrowProliferate() { AlwaysCopyToNew(); } - virtual ~StateControlGrowProliferate() {} + // Special member functions + StateControlGrowProliferate(const StateControlGrowProliferate&) = default; + StateControlGrowProliferate& operator=(const StateControlGrowProliferate&) = default; + StateControlGrowProliferate(StateControlGrowProliferate&&) = default; + StateControlGrowProliferate& operator=(StateControlGrowProliferate&&) = default; + + ~StateControlGrowProliferate() override = default; /// Execute the state control and growth behavior void Run(Agent* agent) override; diff --git a/src/utils_aux.h b/src/utils_aux.h index 6bf972a..0f7d773 100644 --- a/src/utils_aux.h +++ b/src/utils_aux.h @@ -23,10 +23,13 @@ #define CORE_UTIL_UTILS_AUX_H_ #include +#include #include #include -#include "biodynamo.h" +#include "core/real_t.h" #include "core/container/math_array.h" +#include "core/operation/operation.h" +#include "core/operation/operation_registry.h" namespace bdm { /// Forward declaration of TumorCell class @@ -77,8 +80,15 @@ ComputeNumberTumorCellsAndRadius(); struct OutputSummary : public StandaloneOperationImpl { BDM_OP_HEADER(OutputSummary); - /// Frequency of output (every N simulation steps) - uint64_t frequency_ = 1; + public: + void SetFrequency(uint64_t frequency) { frequency_ = frequency; } + uint64_t GetFrequency() const { return frequency_; } + + private: + /// Frequency of output (every N simulation steps) + // NOLINTNEXTLINE(readability-identifier-naming) + uint64_t frequency_ = 1; + /// Collects current simulation data and writes it to CSV files /// From 522dc3318d3e4b6cfc114952e6e99ccedae2e0b1 Mon Sep 17 00:00:00 2001 From: salva24 Date: Thu, 28 Aug 2025 13:05:44 +0200 Subject: [PATCH 31/47] progress on cart_cell.cc --- clang_output.txt | 123 ---------------------------------------------- src/cart_cell.cc | 17 ++++++- src/hyperparams.h | 3 ++ 3 files changed, 18 insertions(+), 125 deletions(-) diff --git a/clang_output.txt b/clang_output.txt index 300ea02..8f36586 100644 --- a/clang_output.txt +++ b/clang_output.txt @@ -2,40 +2,9 @@ Suppressed 102341 warnings (102179 in non-user code, 162 NOLINT). Use -header-filter=.* to display errors from all non-system headers. Use -system-headers to display errors from system headers as well. src/cart_cell.cc: clang-tidy-18 -p=build -line-filter=[{\"name\":\"src/cart_cell.cc\",\"lines\":[[1,321]]},{\"name\":\"src/cart_cell.h\",\"lines\":[[1,250]]},{\"name\":\"src/cart_tumor.cc\",\"lines\":[[1,133]]},{\"name\":\"src/cart_tumor.h\",\"lines\":[[1,36]]},{\"name\":\"src/diffusion_thomas_algorithm.cc\",\"lines\":[[1,319]]},{\"name\":\"src/diffusion_thomas_algorithm.h\",\"lines\":[[1,194]]},{\"name\":\"src/forces_tumor_cart.cc\",\"lines\":[[1,163]]},{\"name\":\"src/forces_tumor_cart.h\",\"lines\":[[1,60]]},{\"name\":\"src/hyperparams.h\",\"lines\":[[1,216]]},{\"name\":\"src/tumor_cell.cc\",\"lines\":[[1,673]]},{\"name\":\"src/tumor_cell.h\",\"lines\":[[1,301]]},{\"name\":\"src/utils_aux.cc\",\"lines\":[[1,176]]},{\"name\":\"src/utils_aux.h\",\"lines\":[[1,96]]}] --enable-check-profile -store-check-profile=clang-tidy-review-profile --config-file=.clang-tidy --export-fixes=/tmp/tmpb2o1s_sd/tmp_yehqeyw.yaml src/cart_cell.cc -/github/workspace/src/cart_cell.cc:23:1: warning: #includes are not sorted properly [llvm-include-order] - 23 | #include - | ^ ~~~~~~~~~~~ - | "hyperparams.h" - 24 | #include - | ~~~~~~~~~ - | "tumor_cell.h" - 25 | #include - | ~~~~~~~~~~~ - | "utils_aux.h" - 26 | #include - | ~~~~~~~~ - | - 27 | #include "hyperparams.h" - | ~~~~~~~~~~~~~~~ - | - 28 | #include "tumor_cell.h" - | ~~~~~~~~~~~~~~ - | - 29 | #include "utils_aux.h" - | ~~~~~~~~~~~~~ - | /github/workspace/src/cart_cell.cc:33:1: warning: constructor does not initialize these fields: current_live_time_, fluid_fraction_, nuclear_volume_, target_cytoplasm_solid_, target_nucleus_solid_, target_fraction_fluid_, target_relation_cytoplasm_nucleus_, oxygen_consumption_rate_, immunostimulatory_factor_secretion_rate_, constant1_oxygen_, constant2_oxygen_ [cppcoreguidelines-pro-type-member-init] 33 | CartCell::CartCell(const Real3& position) { | ^ -/github/workspace/src/cart_cell.cc:33:26: warning: no header providing "bdm::Real3" is directly included [misc-include-cleaner] - 27 | #include "hyperparams.h" - 28 | #include "tumor_cell.h" - 29 | #include "utils_aux.h" - 30 | - 31 | namespace bdm { - 32 | - 33 | CartCell::CartCell(const Real3& position) { - | ^ /github/workspace/src/cart_cell.cc:36:3: warning: 'state_' should be initialized in a member initializer of the constructor [cppcoreguidelines-prefer-member-initializer] 33 | CartCell::CartCell(const Real3& position) { | : state_(CartCellState::kAlive) @@ -68,11 +37,6 @@ src/cart_cell.cc: clang-tidy-18 -p=build -line-filter=[{\"name\":\"src/cart_cell /github/workspace/src/cart_cell.cc:76:1: warning: no header providing "bdm::real_t" is directly included [misc-include-cleaner] 27 | real_t CartCell::GetTargetTotalVolume() const { | ^ -/github/workspace/src/cart_cell.cc:87:5: warning: 3 adjacent parameters of 'ChangeVolumeExponentialRelaxationEquation' of similar type ('real_t') are easily swapped by mistake [bugprone-easily-swappable-parameters] - 87 | real_t relaxation_rate_cytoplasm, real_t relaxation_rate_nucleus, - | ^~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~ - 88 | real_t relaxation_rate_fluid) { - | ~~~~~~~~~~~~~~~~~~~~~~~~~~~~ /github/workspace/src/cart_cell.cc:87:12: note: the first parameter in the range is 'relaxation_rate_cytoplasm' 87 | real_t relaxation_rate_cytoplasm, real_t relaxation_rate_nucleus, | ^~~~~~~~~~~~~~~~~~~~~~~~~ @@ -123,39 +87,6 @@ src/cart_cell.cc: clang-tidy-18 -p=build -line-filter=[{\"name\":\"src/cart_cell 138 | real_t new_volume = new_total_solid + new_fluid; | ^ | const -/github/workspace/src/cart_cell.cc:141:3: warning: variable 'new_fraction_fluid' of type 'real_t' (aka 'double') can be declared 'const' [misc-const-correctness] - 141 | real_t new_fraction_fluid = new_fluid / (1e-16 + new_volume); - | ^ - | const -/github/workspace/src/cart_cell.cc:141:44: warning: 1e-16 is a magic number; consider replacing it with a named constant [cppcoreguidelines-avoid-magic-numbers,readability-magic-numbers] - 141 | real_t new_fraction_fluid = new_fluid / (1e-16 + new_volume); - | ^ -/github/workspace/src/cart_cell.cc:156:45: warning: no header providing "bdm::InteractionForce" is directly included [misc-include-cleaner] - 27 | Real3 CartCell::CalculateDisplacement(const InteractionForce* force, - | ^ -/github/workspace/src/cart_cell.cc:175:9: warning: no header providing "bdm::L2F" is directly included [misc-include-cleaner] - 27 | L2F([&](Agent* neighbor, real_t /*squared_distance*/) { - | ^ -/github/workspace/src/cart_cell.cc:175:17: warning: no header providing "bdm::Agent" is directly included [misc-include-cleaner] - 27 | L2F([&](Agent* neighbor, real_t /*squared_distance*/) { - | ^ -/github/workspace/src/cart_cell.cc:206:42: warning: 2 adjacent parameters of 'ConsumeSecreteSubstance' of convertible types are easily swapped by mistake [bugprone-easily-swappable-parameters] - 206 | real_t CartCell::ConsumeSecreteSubstance(int substance_id, - | ^~~~~~~~~~~~~~~~~ - 207 | real_t old_concentration) { - | ~~~~~~~~~~~~~~~~~~~~~~~~ -/github/workspace/src/cart_cell.cc:206:46: note: the first parameter in the range is 'substance_id' - 206 | real_t CartCell::ConsumeSecreteSubstance(int substance_id, - | ^~~~~~~~~~~~ -/github/workspace/src/cart_cell.cc:207:49: note: the last parameter in the range is 'old_concentration' - 207 | real_t old_concentration) { - | ^~~~~~~~~~~~~~~~~ -/github/workspace/src/cart_cell.cc:206:42: note: - 206 | real_t CartCell::ConsumeSecreteSubstance(int substance_id, - | ^ -/github/workspace/src/cart_cell.cc:207:42: note: 'int' and 'real_t' may be implicitly converted: 'int' -> 'real_t' (as 'double'), 'real_t' (as 'double') -> 'int' - 207 | real_t old_concentration) { - | ^ /github/workspace/src/cart_cell.cc:208:10: warning: variable 'res' is not initialized [cppcoreguidelines-init-variables] 23 | real_t res; | ^ @@ -164,64 +95,13 @@ src/cart_cell.cc: clang-tidy-18 -p=build -line-filter=[{\"name\":\"src/cart_cell 235 | real_t volume = GetVolume(); | ^ | const -/github/workspace/src/cart_cell.cc:264:26: warning: 1e-10 is a magic number; consider replacing it with a named constant [cppcoreguidelines-avoid-magic-numbers,readability-magic-numbers] - 264 | 1e-10)) { // Probability of death= 1/CurrentLiveTime, - | ^ /github/workspace/src/cart_cell.cc:294:29: warning: narrowing conversion from 'real_t' (aka 'double') to 'int' [bugprone-narrowing-conversions,cppcoreguidelines-narrowing-conversions] 294 | cell->SetTimerState(cell->GetTimerState() + kDtCycle); | ^ -/github/workspace/src/cart_cell.cc:312:9: warning: no header providing "bdm::Log" is directly included [misc-include-cleaner] - 27 | Log::Error("StateControlCart::Run", "Unknown CartCellState"); - | ^ -src/forces_tumor_cart.cc: clang-tidy-18 -p=build -line-filter=[{\"name\":\"src/cart_cell.cc\",\"lines\":[[1,321]]},{\"name\":\"src/cart_cell.h\",\"lines\":[[1,250]]},{\"name\":\"src/cart_tumor.cc\",\"lines\":[[1,133]]},{\"name\":\"src/cart_tumor.h\",\"lines\":[[1,36]]},{\"name\":\"src/diffusion_thomas_algorithm.cc\",\"lines\":[[1,319]]},{\"name\":\"src/diffusion_thomas_algorithm.h\",\"lines\":[[1,194]]},{\"name\":\"src/forces_tumor_cart.cc\",\"lines\":[[1,163]]},{\"name\":\"src/forces_tumor_cart.h\",\"lines\":[[1,60]]},{\"name\":\"src/hyperparams.h\",\"lines\":[[1,216]]},{\"name\":\"src/tumor_cell.cc\",\"lines\":[[1,673]]},{\"name\":\"src/tumor_cell.h\",\"lines\":[[1,301]]},{\"name\":\"src/utils_aux.cc\",\"lines\":[[1,176]]},{\"name\":\"src/utils_aux.h\",\"lines\":[[1,96]]}] --enable-check-profile -store-check-profile=clang-tidy-review-profile --config-file=.clang-tidy --export-fixes=/tmp/tmpb2o1s_sd/tmpkduc6546.yaml src/forces_tumor_cart.cc -/github/workspace/src/forces_tumor_cart.cc:23:1: warning: #includes are not sorted properly [llvm-include-order] - 23 | #include - | ^ ~~~~~~~~~~~ - | "hyperparams.h" - 24 | #include - | ~~~~~~~ - | "tumor_cell.h" - 25 | #include "hyperparams.h" - | ~~~~~~~~~~~~~~~ - | "utils_aux.h" - 26 | #include "tumor_cell.h" - | ~~~~~~~~~~~~~~ - | - 27 | #include "utils_aux.h" - | ~~~~~~~~~~~~~ - | -/github/workspace/src/forces_tumor_cart.cc:31:1: warning: no header providing "bdm::Real4" is directly included [misc-include-cleaner] - 25 | #include "hyperparams.h" - 26 | #include "tumor_cell.h" - 27 | #include "utils_aux.h" - 28 | - 29 | namespace bdm { - 30 | - 31 | Real4 InteractionVelocity::Calculate(const Agent* lhs, const Agent* rhs) const { - | ^ -/github/workspace/src/forces_tumor_cart.cc:31:44: warning: no header providing "bdm::Agent" is directly included [misc-include-cleaner] - 25 | #include "hyperparams.h" - 26 | #include "tumor_cell.h" - 27 | #include "utils_aux.h" - 28 | - 29 | namespace bdm { - 30 | - 31 | Real4 InteractionVelocity::Calculate(const Agent* lhs, const Agent* rhs) const { - | ^ /github/workspace/src/forces_tumor_cart.cc:32:3: warning: 'auto *a' can be declared as 'const auto *a' [readability-qualified-auto] 32 | auto* a = dynamic_cast(lhs); | ^ | const -/github/workspace/src/forces_tumor_cart.cc:32:32: warning: no header providing "bdm::Cell" is directly included [misc-include-cleaner] - 25 | #include "hyperparams.h" - 26 | #include "tumor_cell.h" - 27 | #include "utils_aux.h" - 28 | - 29 | namespace bdm { - 30 | - 31 | Real4 InteractionVelocity::Calculate(const Agent* lhs, const Agent* rhs) const { - 32 | auto* a = dynamic_cast(lhs); - | ^ /github/workspace/src/forces_tumor_cart.cc:33:3: warning: 'auto *b' can be declared as 'const auto *b' [readability-qualified-auto] 33 | auto* b = dynamic_cast(rhs); | ^ @@ -232,9 +112,6 @@ src/forces_tumor_cart.cc: clang-tidy-18 -p=build -line-filter=[{\"name\":\"src/c | { 37 | return {0.0, 0.0, 0.0, 0.0}; | -/github/workspace/src/forces_tumor_cart.cc:39:3: warning: no header providing "bdm::Real3" is directly included [misc-include-cleaner] - 39 | Real3 displacement = a->GetPosition() - b->GetPosition(); - | ^ /github/workspace/src/forces_tumor_cart.cc:52:3: warning: variable 'dist_sq' of type 'double' can be declared 'const' [misc-const-correctness] 52 | double dist_sq = displacement[0] * displacement[0] + | ^ diff --git a/src/cart_cell.cc b/src/cart_cell.cc index cfbcab8..a93eb95 100644 --- a/src/cart_cell.cc +++ b/src/cart_cell.cc @@ -25,6 +25,17 @@ #include #include #include "hyperparams.h" +#include "core/util/root.h" +#include "core/agent/agent.h" +#include "core/agent/cell.h" +#include "core/behavior/behavior.h" +#include "core/diffusion/diffusion_grid.h" +#include "core/container/math_array.h" +#include "core/functor.h" +#include "core/agent/new_agent_event.h" +#include "core/real_t.h" +#include "core/util/log.h" +#include "core/interaction_force.h" #include "tumor_cell.h" #include "utils_aux.h" @@ -83,6 +94,7 @@ real_t CartCell::GetTargetTotalVolume() const { // volume (and proportions) smoothly toward a desired target volume over time // whe the cell is apoptotic. The relaxations rate controls the speed of // convergence +// NOLINTNEXTLINE(bugprone-easily-swappable-parameters) void CartCell::ChangeVolumeExponentialRelaxationEquation( real_t relaxation_rate_cytoplasm, real_t relaxation_rate_nucleus, real_t relaxation_rate_fluid) { @@ -138,7 +150,7 @@ void CartCell::ChangeVolumeExponentialRelaxationEquation( real_t new_volume = new_total_solid + new_fluid; // Avoid division by zero - real_t new_fraction_fluid = new_fluid / (1e-16 + new_volume); + real_t new_fraction_fluid = new_fluid / (kEpsilon + new_volume); // Update the cell's properties // if the volume has changed @@ -203,6 +215,7 @@ Real3 CartCell::CalculateDisplacement(const InteractionForce* force, // Compute new oxygen or immunostimulatory factor concentration after // consumption/ secretion +// NOLINTNEXTLINE(bugprone-easily-swappable-parameters) real_t CartCell::ConsumeSecreteSubstance(int substance_id, real_t old_concentration) { real_t res; @@ -261,7 +274,7 @@ void StateControlCart::Run(Agent* agent) { if (sim->GetRandom()->Uniform(1.0) < kDtCycle / std::max(cell->GetCurrentLiveTime(), - 1e-10)) { // Probability of death= 1/CurrentLiveTime, + kEpsilon)) { // Probability of death= 1/CurrentLiveTime, // avoiding division by 0 // the cell Dies cell->SetState(CartCellState::kApoptotic); diff --git a/src/hyperparams.h b/src/hyperparams.h index 15c1af4..7616c61 100644 --- a/src/hyperparams.h +++ b/src/hyperparams.h @@ -103,6 +103,9 @@ constexpr real_t kDt = kDtMechanics; /// computed to avoid errors with fmod constexpr int kStepsPerCycle = kDtCycle / kDt; +/// Epsilon for avoiding division by 0 +constexpr real_t kEpsilon = 1e-10; + /// Output little summary each half a day constexpr int kOutputCsvInterval = 12 * 60 / kDt; From 9627cd6743a723695225dc865ea7935c785d2a10 Mon Sep 17 00:00:00 2001 From: salva24 Date: Thu, 28 Aug 2025 14:26:23 +0200 Subject: [PATCH 32/47] cart_cell.cc --- clang_output.txt | 99 ------------------------------------------------ src/cart_cell.cc | 97 +++++++++++++++++++++-------------------------- 2 files changed, 44 insertions(+), 152 deletions(-) diff --git a/clang_output.txt b/clang_output.txt index 8f36586..8cd15b3 100644 --- a/clang_output.txt +++ b/clang_output.txt @@ -2,102 +2,6 @@ Suppressed 102341 warnings (102179 in non-user code, 162 NOLINT). Use -header-filter=.* to display errors from all non-system headers. Use -system-headers to display errors from system headers as well. src/cart_cell.cc: clang-tidy-18 -p=build -line-filter=[{\"name\":\"src/cart_cell.cc\",\"lines\":[[1,321]]},{\"name\":\"src/cart_cell.h\",\"lines\":[[1,250]]},{\"name\":\"src/cart_tumor.cc\",\"lines\":[[1,133]]},{\"name\":\"src/cart_tumor.h\",\"lines\":[[1,36]]},{\"name\":\"src/diffusion_thomas_algorithm.cc\",\"lines\":[[1,319]]},{\"name\":\"src/diffusion_thomas_algorithm.h\",\"lines\":[[1,194]]},{\"name\":\"src/forces_tumor_cart.cc\",\"lines\":[[1,163]]},{\"name\":\"src/forces_tumor_cart.h\",\"lines\":[[1,60]]},{\"name\":\"src/hyperparams.h\",\"lines\":[[1,216]]},{\"name\":\"src/tumor_cell.cc\",\"lines\":[[1,673]]},{\"name\":\"src/tumor_cell.h\",\"lines\":[[1,301]]},{\"name\":\"src/utils_aux.cc\",\"lines\":[[1,176]]},{\"name\":\"src/utils_aux.h\",\"lines\":[[1,96]]}] --enable-check-profile -store-check-profile=clang-tidy-review-profile --config-file=.clang-tidy --export-fixes=/tmp/tmpb2o1s_sd/tmp_yehqeyw.yaml src/cart_cell.cc -/github/workspace/src/cart_cell.cc:33:1: warning: constructor does not initialize these fields: current_live_time_, fluid_fraction_, nuclear_volume_, target_cytoplasm_solid_, target_nucleus_solid_, target_fraction_fluid_, target_relation_cytoplasm_nucleus_, oxygen_consumption_rate_, immunostimulatory_factor_secretion_rate_, constant1_oxygen_, constant2_oxygen_ [cppcoreguidelines-pro-type-member-init] - 33 | CartCell::CartCell(const Real3& position) { - | ^ -/github/workspace/src/cart_cell.cc:36:3: warning: 'state_' should be initialized in a member initializer of the constructor [cppcoreguidelines-prefer-member-initializer] - 33 | CartCell::CartCell(const Real3& position) { - | : state_(CartCellState::kAlive) - 34 | SetPosition(position); - 35 | // Default state for new cells - 36 | state_ = CartCellState::kAlive; - | ^~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~ -/github/workspace/src/cart_cell.cc:38:3: warning: 'timer_state_' should be initialized in a member initializer of the constructor [cppcoreguidelines-prefer-member-initializer] - 33 | CartCell::CartCell(const Real3& position) { - | , timer_state_(0) - 34 | SetPosition(position); - 35 | // Default state for new cells - 36 | state_ = CartCellState::kAlive; - 37 | // Initial timer_state for apoptotic state - 38 | timer_state_ = 0; - | ^~~~~~~~~~~~~~~~~ -/github/workspace/src/cart_cell.cc:48:3: warning: variable 'rm' of type 'ResourceManager &' can be declared 'const' [misc-const-correctness] - 48 | ResourceManager& rm = *Simulation::GetActive()->GetResourceManager(); - | ^ - | const -/github/workspace/src/cart_cell.cc:48:3: warning: no header providing "bdm::ResourceManager" is directly included [misc-include-cleaner] - 27 | ResourceManager& rm = *Simulation::GetActive()->GetResourceManager(); - | ^ -/github/workspace/src/cart_cell.cc:55:3: warning: 'attached_to_tumor_cell_' should be initialized in a member initializer of the constructor [cppcoreguidelines-prefer-member-initializer] - 33 | attached_to_tumor_cell_ = false; - | ^~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~ -/github/workspace/src/cart_cell.cc:57:3: warning: 'attached_cell_' should be initialized in a member initializer of the constructor [cppcoreguidelines-prefer-member-initializer] - 33 | attached_cell_ = nullptr; - | ^~~~~~~~~~~~~~~~~~~~~~~~~ -/github/workspace/src/cart_cell.cc:76:1: warning: no header providing "bdm::real_t" is directly included [misc-include-cleaner] - 27 | real_t CartCell::GetTargetTotalVolume() const { - | ^ -/github/workspace/src/cart_cell.cc:87:12: note: the first parameter in the range is 'relaxation_rate_cytoplasm' - 87 | real_t relaxation_rate_cytoplasm, real_t relaxation_rate_nucleus, - | ^~~~~~~~~~~~~~~~~~~~~~~~~ -/github/workspace/src/cart_cell.cc:88:12: note: the last parameter in the range is 'relaxation_rate_fluid' - 88 | real_t relaxation_rate_fluid) { - | ^~~~~~~~~~~~~~~~~~~~~ -/github/workspace/src/cart_cell.cc:90:3: warning: variable 'current_total_volume' of type 'real_t' (aka 'double') can be declared 'const' [misc-const-correctness] - 90 | real_t current_total_volume = GetVolume(); - | ^ - | const -/github/workspace/src/cart_cell.cc:91:3: warning: variable 'fluid_fraction' of type 'real_t' (aka 'double') can be declared 'const' [misc-const-correctness] - 91 | real_t fluid_fraction = GetFluidFraction(); - | ^ - | const -/github/workspace/src/cart_cell.cc:92:3: warning: variable 'nuclear_volume' of type 'real_t' (aka 'double') can be declared 'const' [misc-const-correctness] - 92 | real_t nuclear_volume = GetNuclearVolume(); - | ^ - | const -/github/workspace/src/cart_cell.cc:94:3: warning: variable 'current_nuclear_solid' of type 'real_t' (aka 'double') can be declared 'const' [misc-const-correctness] - 94 | real_t current_nuclear_solid = nuclear_volume * (1 - fluid_fraction); - | ^ - | const -/github/workspace/src/cart_cell.cc:95:3: warning: variable 'current_cytoplasm_solid' of type 'real_t' (aka 'double') can be declared 'const' [misc-const-correctness] - 95 | real_t current_cytoplasm_solid = - | ^ - | const -/github/workspace/src/cart_cell.cc:98:3: warning: variable 'current_fluid' of type 'real_t' (aka 'double') can be declared 'const' [misc-const-correctness] - 98 | real_t current_fluid = fluid_fraction * current_total_volume; - | ^ - | const -/github/workspace/src/cart_cell.cc:110:3: warning: variable 'nuclear_fluid' of type 'real_t' (aka 'double') can be declared 'const' [misc-const-correctness] - 110 | real_t nuclear_fluid = new_fluid * (nuclear_volume / current_total_volume); - | ^ - | const -/github/workspace/src/cart_cell.cc:121:3: warning: variable 'target_cytoplasm_solid' of type 'real_t' (aka 'double') can be declared 'const' [misc-const-correctness] - 121 | real_t target_cytoplasm_solid = - | ^ - | const -/github/workspace/src/cart_cell.cc:132:3: warning: variable 'new_total_solid' of type 'real_t' (aka 'double') can be declared 'const' [misc-const-correctness] - 132 | real_t new_total_solid = nuclear_solid + cytoplasm_solid; - | ^ - | const -/github/workspace/src/cart_cell.cc:134:3: warning: variable 'total_nuclear' of type 'real_t' (aka 'double') can be declared 'const' [misc-const-correctness] - 134 | real_t total_nuclear = nuclear_solid + nuclear_fluid; - | ^ - | const -/github/workspace/src/cart_cell.cc:138:3: warning: variable 'new_volume' of type 'real_t' (aka 'double') can be declared 'const' [misc-const-correctness] - 138 | real_t new_volume = new_total_solid + new_fluid; - | ^ - | const -/github/workspace/src/cart_cell.cc:208:10: warning: variable 'res' is not initialized [cppcoreguidelines-init-variables] - 23 | real_t res; - | ^ - | = NAN -/github/workspace/src/cart_cell.cc:235:3: warning: variable 'volume' of type 'real_t' (aka 'double') can be declared 'const' [misc-const-correctness] - 235 | real_t volume = GetVolume(); - | ^ - | const -/github/workspace/src/cart_cell.cc:294:29: warning: narrowing conversion from 'real_t' (aka 'double') to 'int' [bugprone-narrowing-conversions,cppcoreguidelines-narrowing-conversions] - 294 | cell->SetTimerState(cell->GetTimerState() + kDtCycle); - | ^ /github/workspace/src/forces_tumor_cart.cc:32:3: warning: 'auto *a' can be declared as 'const auto *a' [readability-qualified-auto] 32 | auto* a = dynamic_cast(lhs); | ^ @@ -222,9 +126,6 @@ Use -header-filter=.* to display errors from all non-system headers. Use -system 128 | double force_magnitude = temp_r / distance; | ^ | const -/github/workspace/src/forces_tumor_cart.cc:159:1: warning: no header providing "bdm::InteractionForce" is directly included [misc-include-cleaner] - 25 | InteractionForce* InteractionVelocity::NewCopy() const { - | ^ /github/workspace/src/forces_tumor_cart.cc:160:3: warning: returning a newly created resource of type 'InteractionForce *' or 'gsl::owner<>' from a function whose return type is not 'gsl::owner<>' [cppcoreguidelines-owning-memory] 160 | return new InteractionVelocity(); | ^~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~ diff --git a/src/cart_cell.cc b/src/cart_cell.cc index a93eb95..9154f15 100644 --- a/src/cart_cell.cc +++ b/src/cart_cell.cc @@ -28,6 +28,7 @@ #include "core/util/root.h" #include "core/agent/agent.h" #include "core/agent/cell.h" +#include "core/resource_manager.h" #include "core/behavior/behavior.h" #include "core/diffusion/diffusion_grid.h" #include "core/container/math_array.h" @@ -41,41 +42,31 @@ namespace bdm { -CartCell::CartCell(const Real3& position) { - SetPosition(position); - // Default state for new cells - state_ = CartCellState::kAlive; - // Initial timer_state for apoptotic state - timer_state_ = 0; - // volumes - // Set default volume +CartCell::CartCell(const Real3& position) + : state_(CartCellState::kAlive), + timer_state_(0), + oxygen_dgrid_(nullptr), + immunostimulatory_factor_dgrid_(nullptr), + attached_to_tumor_cell_(false), + current_live_time_(kAverageMaximumTimeUntillApoptosisCart), + fluid_fraction_(kDefaultFractionFluidCartCell), + nuclear_volume_(kDefaultVolumeNucleusCartCell), + target_cytoplasm_solid_(0.0), + target_nucleus_solid_(0.0), + target_fraction_fluid_(0.0), + target_relation_cytoplasm_nucleus_(0.0), + older_velocity_({0, 0, 0}), + oxygen_consumption_rate_(kDefaultOxygenConsumption), + immunostimulatory_factor_secretion_rate_(0.0), + constant1_oxygen_(0.0), + constant2_oxygen_(0.0), + attached_cell_(nullptr) { + SetPosition(position); SetVolume(kDefaultVolumeNewCartCell); - // Set default fluid fraction - SetFluidFraction(kDefaultFractionFluidCartCell); - // Set default nuclear volume - SetNuclearVolume(kDefaultVolumeNucleusCartCell); - - ResourceManager& rm = *Simulation::GetActive()->GetResourceManager(); - // Pointer to oxygen diffusion grid + const ResourceManager& rm = *Simulation::GetActive()->GetResourceManager(); oxygen_dgrid_ = rm.GetDiffusionGrid("oxygen"); - // Pointer to immunostimulatory_factor diffusion grid - immunostimulatory_factor_dgrid_ = - rm.GetDiffusionGrid("immunostimulatory_factor"); - // Initially not attached to a tumor cell - attached_to_tumor_cell_ = false; - // Initialize attached cell pointer to null - attached_cell_ = nullptr; - - // Initialize the velocity of the cell in the previous step to zero - older_velocity_ = {0, 0, 0}; - - SetCurrentLiveTime(kAverageMaximumTimeUntillApoptosisCart); - - // Add Consumption and Secretion - // Set default oxygen consumption rate - SetOxygenConsumptionRate(kDefaultOxygenConsumption); - // Compute constants for all ConsumptionSecretion of Oxygen + immunostimulatory_factor_dgrid_ = rm.GetDiffusionGrid("immunostimulatory_factor"); ComputeConstantsConsumptionSecretion(); } @@ -96,18 +87,18 @@ real_t CartCell::GetTargetTotalVolume() const { // convergence // NOLINTNEXTLINE(bugprone-easily-swappable-parameters) void CartCell::ChangeVolumeExponentialRelaxationEquation( - real_t relaxation_rate_cytoplasm, real_t relaxation_rate_nucleus, - real_t relaxation_rate_fluid) { + real_t relaxation_rate_cytoplasm, real_t relaxation_rate_nucleus, + real_t relaxation_rate_fluid) { // Exponential relaxation towards the target volume - real_t current_total_volume = GetVolume(); - real_t fluid_fraction = GetFluidFraction(); - real_t nuclear_volume = GetNuclearVolume(); + const real_t current_total_volume = GetVolume(); + const real_t fluid_fraction = GetFluidFraction(); + const real_t nuclear_volume = GetNuclearVolume(); - real_t current_nuclear_solid = nuclear_volume * (1 - fluid_fraction); - real_t current_cytoplasm_solid = + const real_t current_nuclear_solid = nuclear_volume * (1 - fluid_fraction); + const real_t current_cytoplasm_solid = (current_total_volume - nuclear_volume) * (1 - fluid_fraction); - real_t current_fluid = fluid_fraction * current_total_volume; + const real_t current_fluid = fluid_fraction * current_total_volume; // Update fluid volume real_t new_fluid = @@ -119,7 +110,7 @@ void CartCell::ChangeVolumeExponentialRelaxationEquation( new_fluid = 0.0; } - real_t nuclear_fluid = new_fluid * (nuclear_volume / current_total_volume); + const real_t nuclear_fluid = new_fluid * (nuclear_volume / current_total_volume); // real_t cytoplasm_fluid = new_fluid - nuclear_fluid; real_t nuclear_solid = current_nuclear_solid + @@ -130,24 +121,24 @@ void CartCell::ChangeVolumeExponentialRelaxationEquation( nuclear_solid = 0.0; } - real_t target_cytoplasm_solid = - GetTargetRelationCytoplasmNucleus() * GetTargetNucleusSolid(); + const real_t target_cytoplasm_solid = + GetTargetRelationCytoplasmNucleus() * GetTargetNucleusSolid(); real_t cytoplasm_solid = - current_cytoplasm_solid + - kDtCycle * relaxation_rate_cytoplasm * - (target_cytoplasm_solid - current_cytoplasm_solid); + current_cytoplasm_solid + + kDtCycle * relaxation_rate_cytoplasm * + (target_cytoplasm_solid - current_cytoplasm_solid); // Clamp to zero to prevent negative volumes if (cytoplasm_solid < 0.0) { cytoplasm_solid = 0.0; } - real_t new_total_solid = nuclear_solid + cytoplasm_solid; + const real_t new_total_solid = nuclear_solid + cytoplasm_solid; - real_t total_nuclear = nuclear_solid + nuclear_fluid; + const real_t total_nuclear = nuclear_solid + nuclear_fluid; // real_t total_cytoplasm= cytoplasm_solid + cytoplasm_fluid; - real_t new_volume = new_total_solid + new_fluid; + const real_t new_volume = new_total_solid + new_fluid; // Avoid division by zero real_t new_fraction_fluid = new_fluid / (kEpsilon + new_volume); @@ -218,7 +209,7 @@ Real3 CartCell::CalculateDisplacement(const InteractionForce* force, // NOLINTNEXTLINE(bugprone-easily-swappable-parameters) real_t CartCell::ConsumeSecreteSubstance(int substance_id, real_t old_concentration) { - real_t res; + real_t res = NAN; if (substance_id == oxygen_dgrid_->GetContinuumId()) { // consuming oxygen res = (old_concentration + constant1_oxygen_) / constant2_oxygen_; @@ -245,7 +236,7 @@ void CartCell::ComputeConstantsConsumptionSecretion() { // V_k = volume of the cell k // V_voxel = volume of the voxel containing the cell // dt = simulation time step - real_t volume = GetVolume(); + const real_t volume = GetVolume(); // compute the constants for the differential equation explicit solution: for // oxygen and immunostimulatory factor // dt*(cell_volume/voxel_volume)*quantity_secretion*substance_saturation = dt @@ -304,7 +295,7 @@ void StateControlCart::Run(Agent* agent) { break; } case CartCellState::kApoptotic: { - cell->SetTimerState(cell->GetTimerState() + kDtCycle); + cell->SetTimerState(static_cast(static_cast(cell->GetTimerState()) + kDtCycle)); cell->ChangeVolumeExponentialRelaxationEquation( kVolumeRelaxarionRateCytoplasmApoptotic, @@ -331,4 +322,4 @@ void StateControlCart::Run(Agent* agent) { } } -} // namespace bdm +} // namespace bdm \ No newline at end of file From 8cff6c5b15e74b89232746b659d08731aa38b7dd Mon Sep 17 00:00:00 2001 From: salva24 Date: Thu, 28 Aug 2025 14:35:23 +0200 Subject: [PATCH 33/47] tidy forces_tumor_cart.cc --- clang_output.txt | 19 ------------------- src/forces_tumor_cart.cc | 9 +++++---- 2 files changed, 5 insertions(+), 23 deletions(-) diff --git a/clang_output.txt b/clang_output.txt index 8cd15b3..3c89b4c 100644 --- a/clang_output.txt +++ b/clang_output.txt @@ -1,25 +1,6 @@ 102215 warnings generated. Suppressed 102341 warnings (102179 in non-user code, 162 NOLINT). Use -header-filter=.* to display errors from all non-system headers. Use -system-headers to display errors from system headers as well. -src/cart_cell.cc: clang-tidy-18 -p=build -line-filter=[{\"name\":\"src/cart_cell.cc\",\"lines\":[[1,321]]},{\"name\":\"src/cart_cell.h\",\"lines\":[[1,250]]},{\"name\":\"src/cart_tumor.cc\",\"lines\":[[1,133]]},{\"name\":\"src/cart_tumor.h\",\"lines\":[[1,36]]},{\"name\":\"src/diffusion_thomas_algorithm.cc\",\"lines\":[[1,319]]},{\"name\":\"src/diffusion_thomas_algorithm.h\",\"lines\":[[1,194]]},{\"name\":\"src/forces_tumor_cart.cc\",\"lines\":[[1,163]]},{\"name\":\"src/forces_tumor_cart.h\",\"lines\":[[1,60]]},{\"name\":\"src/hyperparams.h\",\"lines\":[[1,216]]},{\"name\":\"src/tumor_cell.cc\",\"lines\":[[1,673]]},{\"name\":\"src/tumor_cell.h\",\"lines\":[[1,301]]},{\"name\":\"src/utils_aux.cc\",\"lines\":[[1,176]]},{\"name\":\"src/utils_aux.h\",\"lines\":[[1,96]]}] --enable-check-profile -store-check-profile=clang-tidy-review-profile --config-file=.clang-tidy --export-fixes=/tmp/tmpb2o1s_sd/tmp_yehqeyw.yaml src/cart_cell.cc -/github/workspace/src/forces_tumor_cart.cc:32:3: warning: 'auto *a' can be declared as 'const auto *a' [readability-qualified-auto] - 32 | auto* a = dynamic_cast(lhs); - | ^ - | const -/github/workspace/src/forces_tumor_cart.cc:33:3: warning: 'auto *b' can be declared as 'const auto *b' [readability-qualified-auto] - 33 | auto* b = dynamic_cast(rhs); - | ^ - | const -/github/workspace/src/forces_tumor_cart.cc:36:34: warning: statement should be inside braces [readability-braces-around-statements] - 36 | if (a->GetUid() == b->GetUid()) - | ^ - | { - 37 | return {0.0, 0.0, 0.0, 0.0}; - | -/github/workspace/src/forces_tumor_cart.cc:52:3: warning: variable 'dist_sq' of type 'double' can be declared 'const' [misc-const-correctness] - 52 | double dist_sq = displacement[0] * displacement[0] + - | ^ - | const 102175 warnings generated. Suppressed 102299 warnings (102137 in non-user code, 162 NOLINT). Use -header-filter=.* to display errors from all non-system headers. Use -system-headers to display errors from system headers as well. diff --git a/src/forces_tumor_cart.cc b/src/forces_tumor_cart.cc index 2f93ff8..cc2f101 100644 --- a/src/forces_tumor_cart.cc +++ b/src/forces_tumor_cart.cc @@ -30,12 +30,13 @@ namespace bdm { Real4 InteractionVelocity::Calculate(const Agent* lhs, const Agent* rhs) const { - auto* a = dynamic_cast(lhs); - auto* b = dynamic_cast(rhs); + const auto* a = dynamic_cast(lhs); + const auto* b = dynamic_cast(rhs); // Ignore self-interaction - if (a->GetUid() == b->GetUid()) + if (a->GetUid() == b->GetUid()) { return {0.0, 0.0, 0.0, 0.0}; + } Real3 displacement = a->GetPosition() - b->GetPosition(); @@ -50,7 +51,7 @@ Real4 InteractionVelocity::Calculate(const Agent* lhs, const Agent* rhs) const { displacement[2] - (kBoundedSpaceLength)*round(displacement[2] / (kBoundedSpaceLength)); - double dist_sq = displacement[0] * displacement[0] + + const double dist_sq = displacement[0] * displacement[0] + displacement[1] * displacement[1] + displacement[2] * displacement[2]; double distance = std::max(std::sqrt(dist_sq), 1e-5); From ae65e49f66baf6b8fe6562edbd75c402c003ac97 Mon Sep 17 00:00:00 2001 From: salva24 Date: Thu, 28 Aug 2025 14:53:49 +0200 Subject: [PATCH 34/47] forces_tumor_cart.cc --- clang_output.txt | 13 ----------- src/forces_tumor_cart.cc | 50 +++++++++++++++++++++------------------- src/hyperparams.h | 3 +++ 3 files changed, 29 insertions(+), 37 deletions(-) diff --git a/clang_output.txt b/clang_output.txt index 3c89b4c..c758893 100644 --- a/clang_output.txt +++ b/clang_output.txt @@ -1,16 +1,9 @@ -102215 warnings generated. -Suppressed 102341 warnings (102179 in non-user code, 162 NOLINT). -Use -header-filter=.* to display errors from all non-system headers. Use -system-headers to display errors from system headers as well. -102175 warnings generated. Suppressed 102299 warnings (102137 in non-user code, 162 NOLINT). Use -header-filter=.* to display errors from all non-system headers. Use -system-headers to display errors from system headers as well. /github/workspace/src/forces_tumor_cart.cc:55:3: warning: variable 'distance' of type 'double' can be declared 'const' [misc-const-correctness] 55 | double distance = std::max(std::sqrt(dist_sq), 1e-5); | ^ | const -/github/workspace/src/forces_tumor_cart.cc:55:50: warning: 1e-5 is a magic number; consider replacing it with a named constant [cppcoreguidelines-avoid-magic-numbers,readability-magic-numbers] - 55 | double distance = std::max(std::sqrt(dist_sq), 1e-5); - | ^ /github/workspace/src/forces_tumor_cart.cc:57:3: warning: variable 'radius_a' of type 'double' can be declared 'const' [misc-const-correctness] 57 | double radius_a = a->GetDiameter() / 2.0; | ^ @@ -100,16 +93,10 @@ Use -header-filter=.* to display errors from all non-system headers. Use -system 110 | } else if (!a_tumor && !b_tumor) { // two CAR-T cells | ~^ | ( == nullptr) -/github/workspace/src/forces_tumor_cart.cc:125:26: warning: 1e-16 is a magic number; consider replacing it with a named constant [cppcoreguidelines-avoid-magic-numbers,readability-magic-numbers] - 125 | if (std::abs(temp_r) < 1e-16) { - | ^ /github/workspace/src/forces_tumor_cart.cc:128:3: warning: variable 'force_magnitude' of type 'double' can be declared 'const' [misc-const-correctness] 128 | double force_magnitude = temp_r / distance; | ^ | const -/github/workspace/src/forces_tumor_cart.cc:160:3: warning: returning a newly created resource of type 'InteractionForce *' or 'gsl::owner<>' from a function whose return type is not 'gsl::owner<>' [cppcoreguidelines-owning-memory] - 160 | return new InteractionVelocity(); - | ^~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~ src/diffusion_thomas_algorithm.cc: clang-tidy-18 -p=build -line-filter=[{\"name\":\"src/cart_cell.cc\",\"lines\":[[1,321]]},{\"name\":\"src/cart_cell.h\",\"lines\":[[1,250]]},{\"name\":\"src/cart_tumor.cc\",\"lines\":[[1,133]]},{\"name\":\"src/cart_tumor.h\",\"lines\":[[1,36]]},{\"name\":\"src/diffusion_thomas_algorithm.cc\",\"lines\":[[1,319]]},{\"name\":\"src/diffusion_thomas_algorithm.h\",\"lines\":[[1,194]]},{\"name\":\"src/forces_tumor_cart.cc\",\"lines\":[[1,163]]},{\"name\":\"src/forces_tumor_cart.h\",\"lines\":[[1,60]]},{\"name\":\"src/hyperparams.h\",\"lines\":[[1,216]]},{\"name\":\"src/tumor_cell.cc\",\"lines\":[[1,673]]},{\"name\":\"src/tumor_cell.h\",\"lines\":[[1,301]]},{\"name\":\"src/utils_aux.cc\",\"lines\":[[1,176]]},{\"name\":\"src/utils_aux.h\",\"lines\":[[1,96]]}] --enable-check-profile -store-check-profile=clang-tidy-review-profile --config-file=.clang-tidy --export-fixes=/tmp/tmpb2o1s_sd/tmp5joylp3d.yaml src/diffusion_thomas_algorithm.cc 102368 warnings generated. Suppressed 102373 warnings (102211 in non-user code, 162 NOLINT). diff --git a/src/forces_tumor_cart.cc b/src/forces_tumor_cart.cc index cc2f101..2444a59 100644 --- a/src/forces_tumor_cart.cc +++ b/src/forces_tumor_cart.cc @@ -23,6 +23,7 @@ #include #include #include "core/container/math_array.h" +#include "core/real_t.h" #include "hyperparams.h" #include "tumor_cell.h" #include "utils_aux.h" @@ -51,35 +52,36 @@ Real4 InteractionVelocity::Calculate(const Agent* lhs, const Agent* rhs) const { displacement[2] - (kBoundedSpaceLength)*round(displacement[2] / (kBoundedSpaceLength)); - const double dist_sq = displacement[0] * displacement[0] + + const real_t dist_sq = displacement[0] * displacement[0] + displacement[1] * displacement[1] + displacement[2] * displacement[2]; - double distance = std::max(std::sqrt(dist_sq), 1e-5); - - double radius_a = a->GetDiameter() / 2.0; - double radius_b = b->GetDiameter() / 2.0; - double R = radius_a + radius_b; - // R=16.8254;//Debug - // std::cout << "Debug: R = " << R << ", distance = " << distance << + const real_t distance = std::max(std::sqrt(dist_sq), kEpsilonDistance); + + constexpr real_t kHalf = 2.0; + const real_t radius_a = a->GetDiameter() / kHalf; + const real_t radius_b = b->GetDiameter() / kHalf; + const real_t combined_radius = radius_a + radius_b; + // combined_radius=16.8254;//Debug + // std::cout << "Debug: combined_radius = " << combined_radius << ", distance = " << distance << // std::endl;// Debug output - double temp_r = 0.0; + real_t temp_r = 0.0; - const TumorCell* a_tumor = dynamic_cast(a); - const TumorCell* b_tumor = dynamic_cast(b); + const auto* a_tumor = dynamic_cast(a); + const auto* b_tumor = dynamic_cast(b); - if (distance < R) { - // 1 - d/R - temp_r = 1.0 - distance / R; - // (1 - d/R)^2 + if (distance < combined_radius) { + // 1 - d/combined_radius + temp_r = 1.0 - distance / combined_radius; + // (1 - d/combined_radius)^2 temp_r *= temp_r; - double repulsion; + real_t repulsion = NAN; // std::cout << "temp_r = " << temp_r<< std::endl;// Debug output - if (a_tumor && b_tumor) { // two tumor cells + if ((a_tumor != nullptr) && (b_tumor != nullptr)) { // two tumor cells repulsion = kRepulsionTumorTumor; // std::sqrt(kRepulsionTumorTumor * // kRepulsionTumorTumor); - } else if (!a_tumor && !b_tumor) { // two CAR-T cells + } else if ((a_tumor == nullptr) && (b_tumor == nullptr)) { // two CAR-T cells repulsion = kRepulsionCartCart; // std::sqrt(kRepulsionCartCart*kRepulsionCartCart); } else { // one tumor cell and one CAR-T @@ -93,20 +95,20 @@ Real4 InteractionVelocity::Calculate(const Agent* lhs, const Agent* rhs) const { // output // Adhesion - double max_interaction_distance = kMaxRelativeAdhesionDistance * R; + const real_t max_interaction_distance = kMaxRelativeAdhesionDistance * combined_radius; // max_interaction_distance=21.0318;//Debug // std::cout << "max_interaction_distance = " << max_interaction_distance << // std::endl;// Debug output if (distance < max_interaction_distance) { // 1 - d/S - double temp_a = 1.0 - distance / max_interaction_distance; + real_t temp_a = 1.0 - distance / max_interaction_distance; // (1-d/S)^2 temp_a *= temp_a; // std::cout << "temp_a = " << temp_a << std::endl;// Debug output - double adhesion; + real_t adhesion; if (a_tumor && b_tumor) { // two tumor cells adhesion = kAdhesionTumorTumor; } else if (!a_tumor && !b_tumor) { // two CAR-T cells @@ -124,16 +126,16 @@ Real4 InteractionVelocity::Calculate(const Agent* lhs, const Agent* rhs) const { // output } - if (std::abs(temp_r) < 1e-16) { + if (std::abs(temp_r) < kEpsilon) { return {0.0, 0.0, 0.0, 0.0}; } - double force_magnitude = temp_r / distance; + real_t force_magnitude = temp_r / distance; // Debug Output volcities // std::ofstream file("output/intercation_velocities.csv", std::ios::app); // if (file.is_open()) { - // double total_minutes = + // real_t total_minutes = // Simulation::GetActive()->GetScheduler()->GetSimulatedTime(); Real3 // position = a->GetPosition(); // // Write data to CSV file diff --git a/src/hyperparams.h b/src/hyperparams.h index 7616c61..af8ef3b 100644 --- a/src/hyperparams.h +++ b/src/hyperparams.h @@ -106,6 +106,9 @@ constexpr int kStepsPerCycle = kDtCycle / kDt; /// Epsilon for avoiding division by 0 constexpr real_t kEpsilon = 1e-10; +/// kEpsilon distance +constexpr real_t kEpsilonDistance = 1e-5; + /// Output little summary each half a day constexpr int kOutputCsvInterval = 12 * 60 / kDt; From 1010b140e022ae6ec71759d681d55f92d1c733cd Mon Sep 17 00:00:00 2001 From: salva24 Date: Thu, 28 Aug 2025 14:55:25 +0200 Subject: [PATCH 35/47] forces_tumor_cart.cc --- clang_output.txt | 99 ------------------------------------------------ 1 file changed, 99 deletions(-) diff --git a/clang_output.txt b/clang_output.txt index c758893..1b38654 100644 --- a/clang_output.txt +++ b/clang_output.txt @@ -1,102 +1,3 @@ -Suppressed 102299 warnings (102137 in non-user code, 162 NOLINT). -Use -header-filter=.* to display errors from all non-system headers. Use -system-headers to display errors from system headers as well. -/github/workspace/src/forces_tumor_cart.cc:55:3: warning: variable 'distance' of type 'double' can be declared 'const' [misc-const-correctness] - 55 | double distance = std::max(std::sqrt(dist_sq), 1e-5); - | ^ - | const -/github/workspace/src/forces_tumor_cart.cc:57:3: warning: variable 'radius_a' of type 'double' can be declared 'const' [misc-const-correctness] - 57 | double radius_a = a->GetDiameter() / 2.0; - | ^ - | const -/github/workspace/src/forces_tumor_cart.cc:57:40: warning: 2.0 is a magic number; consider replacing it with a named constant [cppcoreguidelines-avoid-magic-numbers,readability-magic-numbers] - 57 | double radius_a = a->GetDiameter() / 2.0; - | ^ -/github/workspace/src/forces_tumor_cart.cc:58:3: warning: variable 'radius_b' of type 'double' can be declared 'const' [misc-const-correctness] - 58 | double radius_b = b->GetDiameter() / 2.0; - | ^ - | const -/github/workspace/src/forces_tumor_cart.cc:58:40: warning: 2.0 is a magic number; consider replacing it with a named constant [cppcoreguidelines-avoid-magic-numbers,readability-magic-numbers] - 58 | double radius_b = b->GetDiameter() / 2.0; - | ^ -/github/workspace/src/forces_tumor_cart.cc:59:3: warning: variable 'R' of type 'double' can be declared 'const' [misc-const-correctness] - 59 | double R = radius_a + radius_b; - | ^ - | const -/github/workspace/src/forces_tumor_cart.cc:59:10: warning: invalid case style for local variable 'R' [readability-identifier-naming] - 59 | double R = radius_a + radius_b; - | ^ - | r - 60 | // R=16.8254;//Debug - 61 | // std::cout << "Debug: R = " << R << ", distance = " << distance << - 62 | // std::endl;// Debug output - 63 | double temp_r = 0.0; - 64 | - 65 | const TumorCell* a_tumor = dynamic_cast(a); - 66 | const TumorCell* b_tumor = dynamic_cast(b); - 67 | - 68 | if (distance < R) { - | ~ - | r - 69 | // 1 - d/R - 70 | temp_r = 1.0 - distance / R; - | ~ - | r -/github/workspace/src/forces_tumor_cart.cc:65:9: warning: use auto when initializing with a cast to avoid duplicating the type name [modernize-use-auto] - 65 | const TumorCell* a_tumor = dynamic_cast(a); - | ^~~~~~~~~ - | auto -/github/workspace/src/forces_tumor_cart.cc:66:9: warning: use auto when initializing with a cast to avoid duplicating the type name [modernize-use-auto] - 66 | const TumorCell* b_tumor = dynamic_cast(b); - | ^~~~~~~~~ - | auto -/github/workspace/src/forces_tumor_cart.cc:74:12: warning: variable 'repulsion' is not initialized [cppcoreguidelines-init-variables] - 23 | double repulsion; - | ^ - | = NAN -/github/workspace/src/forces_tumor_cart.cc:77:9: warning: implicit conversion 'const TumorCell *' -> 'bool' [readability-implicit-bool-conversion] - 77 | if (a_tumor && b_tumor) { // two tumor cells - | ^ - | ( != nullptr) -/github/workspace/src/forces_tumor_cart.cc:77:20: warning: implicit conversion 'const TumorCell *' -> 'bool' [readability-implicit-bool-conversion] - 77 | if (a_tumor && b_tumor) { // two tumor cells - | ^ - | ( != nullptr) -/github/workspace/src/forces_tumor_cart.cc:80:17: warning: implicit conversion 'const TumorCell *' -> 'bool' [readability-implicit-bool-conversion] - 80 | } else if (!a_tumor && !b_tumor) { // two CAR-T cells - | ~^ - | ( == nullptr) -/github/workspace/src/forces_tumor_cart.cc:80:29: warning: implicit conversion 'const TumorCell *' -> 'bool' [readability-implicit-bool-conversion] - 80 | } else if (!a_tumor && !b_tumor) { // two CAR-T cells - | ~^ - | ( == nullptr) -/github/workspace/src/forces_tumor_cart.cc:94:3: warning: variable 'max_interaction_distance' of type 'double' can be declared 'const' [misc-const-correctness] - 94 | double max_interaction_distance = kMaxRelativeAdhesionDistance * R; - | ^ - | const -/github/workspace/src/forces_tumor_cart.cc:107:12: warning: variable 'adhesion' is not initialized [cppcoreguidelines-init-variables] - 107 | double adhesion; - | ^ - | = NAN -/github/workspace/src/forces_tumor_cart.cc:108:9: warning: implicit conversion 'const TumorCell *' -> 'bool' [readability-implicit-bool-conversion] - 108 | if (a_tumor && b_tumor) { // two tumor cells - | ^ - | ( != nullptr) -/github/workspace/src/forces_tumor_cart.cc:108:20: warning: implicit conversion 'const TumorCell *' -> 'bool' [readability-implicit-bool-conversion] - 108 | if (a_tumor && b_tumor) { // two tumor cells - | ^ - | ( != nullptr) -/github/workspace/src/forces_tumor_cart.cc:110:17: warning: implicit conversion 'const TumorCell *' -> 'bool' [readability-implicit-bool-conversion] - 110 | } else if (!a_tumor && !b_tumor) { // two CAR-T cells - | ~^ - | ( == nullptr) -/github/workspace/src/forces_tumor_cart.cc:110:29: warning: implicit conversion 'const TumorCell *' -> 'bool' [readability-implicit-bool-conversion] - 110 | } else if (!a_tumor && !b_tumor) { // two CAR-T cells - | ~^ - | ( == nullptr) -/github/workspace/src/forces_tumor_cart.cc:128:3: warning: variable 'force_magnitude' of type 'double' can be declared 'const' [misc-const-correctness] - 128 | double force_magnitude = temp_r / distance; - | ^ - | const src/diffusion_thomas_algorithm.cc: clang-tidy-18 -p=build -line-filter=[{\"name\":\"src/cart_cell.cc\",\"lines\":[[1,321]]},{\"name\":\"src/cart_cell.h\",\"lines\":[[1,250]]},{\"name\":\"src/cart_tumor.cc\",\"lines\":[[1,133]]},{\"name\":\"src/cart_tumor.h\",\"lines\":[[1,36]]},{\"name\":\"src/diffusion_thomas_algorithm.cc\",\"lines\":[[1,319]]},{\"name\":\"src/diffusion_thomas_algorithm.h\",\"lines\":[[1,194]]},{\"name\":\"src/forces_tumor_cart.cc\",\"lines\":[[1,163]]},{\"name\":\"src/forces_tumor_cart.h\",\"lines\":[[1,60]]},{\"name\":\"src/hyperparams.h\",\"lines\":[[1,216]]},{\"name\":\"src/tumor_cell.cc\",\"lines\":[[1,673]]},{\"name\":\"src/tumor_cell.h\",\"lines\":[[1,301]]},{\"name\":\"src/utils_aux.cc\",\"lines\":[[1,176]]},{\"name\":\"src/utils_aux.h\",\"lines\":[[1,96]]}] --enable-check-profile -store-check-profile=clang-tidy-review-profile --config-file=.clang-tidy --export-fixes=/tmp/tmpb2o1s_sd/tmp5joylp3d.yaml src/diffusion_thomas_algorithm.cc 102368 warnings generated. Suppressed 102373 warnings (102211 in non-user code, 162 NOLINT). From ee3900843f0cf457bef17dd1a3a1cfe5301f1900 Mon Sep 17 00:00:00 2001 From: salva24 Date: Fri, 29 Aug 2025 12:02:45 +0200 Subject: [PATCH 36/47] diffusion_thomas_algorithm.cc refactorized tidy --- clang_output.txt | 115 ------------ src/diffusion_thomas_algorithm.cc | 296 ++++++++++++++---------------- src/diffusion_thomas_algorithm.h | 121 +++++++----- src/hyperparams.h | 2 + 4 files changed, 219 insertions(+), 315 deletions(-) diff --git a/clang_output.txt b/clang_output.txt index 1b38654..9adb517 100644 --- a/clang_output.txt +++ b/clang_output.txt @@ -1,61 +1,3 @@ -src/diffusion_thomas_algorithm.cc: clang-tidy-18 -p=build -line-filter=[{\"name\":\"src/cart_cell.cc\",\"lines\":[[1,321]]},{\"name\":\"src/cart_cell.h\",\"lines\":[[1,250]]},{\"name\":\"src/cart_tumor.cc\",\"lines\":[[1,133]]},{\"name\":\"src/cart_tumor.h\",\"lines\":[[1,36]]},{\"name\":\"src/diffusion_thomas_algorithm.cc\",\"lines\":[[1,319]]},{\"name\":\"src/diffusion_thomas_algorithm.h\",\"lines\":[[1,194]]},{\"name\":\"src/forces_tumor_cart.cc\",\"lines\":[[1,163]]},{\"name\":\"src/forces_tumor_cart.h\",\"lines\":[[1,60]]},{\"name\":\"src/hyperparams.h\",\"lines\":[[1,216]]},{\"name\":\"src/tumor_cell.cc\",\"lines\":[[1,673]]},{\"name\":\"src/tumor_cell.h\",\"lines\":[[1,301]]},{\"name\":\"src/utils_aux.cc\",\"lines\":[[1,176]]},{\"name\":\"src/utils_aux.h\",\"lines\":[[1,96]]}] --enable-check-profile -store-check-profile=clang-tidy-review-profile --config-file=.clang-tidy --export-fixes=/tmp/tmpb2o1s_sd/tmp5joylp3d.yaml src/diffusion_thomas_algorithm.cc -102368 warnings generated. -Suppressed 102373 warnings (102211 in non-user code, 162 NOLINT). -Use -header-filter=.* to display errors from all non-system headers. Use -system-headers to display errors from system headers as well. -/github/workspace/src/diffusion_thomas_algorithm.cc:22:1: warning: #includes are not sorted properly [llvm-include-order] - 22 | #include - | ^ ~~~~~~~~ - | "cart_cell.h" - 23 | #include - | ~~~~~~~~~ - | "hyperparams.h" - 24 | #include - | ~~~~~~~~ - | "tumor_cell.h" - 25 | #include "cart_cell.h" - | ~~~~~~~~~~~~~ - | - 26 | #include "hyperparams.h" - | ~~~~~~~~~~~~~~~ - | - 27 | #include "tumor_cell.h" - | ~~~~~~~~~~~~~~ - | -/github/workspace/src/diffusion_thomas_algorithm.cc:32:51: warning: no header providing "bdm::real_t" is directly included [misc-include-cleaner] - 26 | #include "hyperparams.h" - 27 | #include "tumor_cell.h" - 28 | - 29 | namespace bdm { - 30 | - 31 | DiffusionThomasAlgorithm::DiffusionThomasAlgorithm( - 32 | int substance_id, std::string substance_name, real_t dc, real_t mu, - | ^ -/github/workspace/src/diffusion_thomas_algorithm.cc:33:5: warning: 2 adjacent parameters of 'DiffusionThomasAlgorithm' of convertible types are easily swapped by mistake [bugprone-easily-swappable-parameters] - 33 | int resolution, real_t dt, bool dirichlet_border) // time step - | ^~~~~~~~~~~~~~~~~~~~~~~~~ -/github/workspace/src/diffusion_thomas_algorithm.cc:33:9: note: the first parameter in the range is 'resolution' - 33 | int resolution, real_t dt, bool dirichlet_border) // time step - | ^~~~~~~~~~ -/github/workspace/src/diffusion_thomas_algorithm.cc:33:28: note: the last parameter in the range is 'dt' - 33 | int resolution, real_t dt, bool dirichlet_border) // time step - | ^~ -/github/workspace/src/diffusion_thomas_algorithm.cc:33:5: note: - 33 | int resolution, real_t dt, bool dirichlet_border) // time step - | ^ -/github/workspace/src/diffusion_thomas_algorithm.cc:33:21: note: 'int' and 'real_t' may be implicitly converted: 'int' -> 'real_t' (as 'double'), 'real_t' (as 'double') -> 'int' - 33 | int resolution, real_t dt, bool dirichlet_border) // time step - | ^ -/github/workspace/src/diffusion_thomas_algorithm.cc:34:7: warning: no header providing "bdm::DiffusionGrid" is directly included [misc-include-cleaner] - 26 | #include "hyperparams.h" - 27 | #include "tumor_cell.h" - 28 | - 29 | namespace bdm { - 30 | - 31 | DiffusionThomasAlgorithm::DiffusionThomasAlgorithm( - 32 | int substance_id, std::string substance_name, real_t dc, real_t mu, - 33 | int resolution, real_t dt, bool dirichlet_border) // time step - 34 | : DiffusionGrid(substance_id, std::move(substance_name), dc, mu, - | ^ /github/workspace/src/diffusion_thomas_algorithm.cc:38:3: warning: 'resolution_' should be initialized in a member initializer of the constructor [cppcoreguidelines-prefer-member-initializer] 35 | resolution) { | , resolution_(GetResolution()) @@ -304,60 +246,6 @@ Use -header-filter=.* to display errors from all non-system headers. Use -system /github/workspace/src/diffusion_thomas_algorithm.cc:161:39: warning: do not use pointer arithmetic [cppcoreguidelines-pro-bounds-pointer-arithmetic] 161 | ChangeConcentrationBy(idx, amount - GetAllConcentrations()[idx], | ^ -/github/workspace/src/diffusion_thomas_algorithm.cc:162:25: warning: no header providing "bdm::InteractionMode" is directly included [misc-include-cleaner] - 162 | InteractionMode::kAdditive, false); - | ^ -/github/workspace/src/diffusion_thomas_algorithm.cc:189:32: warning: function 'DiffuseChemical' has cognitive complexity of 31 (threshold 25) [readability-function-cognitive-complexity] - 189 | void DiffusionThomasAlgorithm::DiffuseChemical(real_t dt) { - | ^ -/github/workspace/src/diffusion_thomas_algorithm.cc:192:3: note: +1, including nesting penalty of 0, nesting level increased to 1 - 192 | if (dirichlet_border_) { - | ^ -/github/workspace/src/diffusion_thomas_algorithm.cc:198:3: note: +1, including nesting penalty of 0, nesting level increased to 1 - 198 | for (unsigned int k = 0; k < resolution_; k++) { - | ^ -/github/workspace/src/diffusion_thomas_algorithm.cc:199:5: note: +2, including nesting penalty of 1, nesting level increased to 2 - 199 | for (unsigned int j = 0; j < resolution_; j++) { - | ^ -/github/workspace/src/diffusion_thomas_algorithm.cc:204:7: note: +3, including nesting penalty of 2, nesting level increased to 3 - 204 | for (unsigned int i = 1; i < resolution_; i++) { - | ^ -/github/workspace/src/diffusion_thomas_algorithm.cc:212:7: note: +3, including nesting penalty of 2, nesting level increased to 3 - 212 | for (int i = resolution_ - 2; i >= 0; i--) { - | ^ -/github/workspace/src/diffusion_thomas_algorithm.cc:222:3: note: +1, including nesting penalty of 0, nesting level increased to 1 - 222 | if (dirichlet_border_) { - | ^ -/github/workspace/src/diffusion_thomas_algorithm.cc:228:3: note: +1, including nesting penalty of 0, nesting level increased to 1 - 228 | for (unsigned int k = 0; k < resolution_; k++) { - | ^ -/github/workspace/src/diffusion_thomas_algorithm.cc:229:5: note: +2, including nesting penalty of 1, nesting level increased to 2 - 229 | for (unsigned int i = 0; i < resolution_; i++) { - | ^ -/github/workspace/src/diffusion_thomas_algorithm.cc:234:7: note: +3, including nesting penalty of 2, nesting level increased to 3 - 234 | for (unsigned int j = 1; j < resolution_; j++) { - | ^ -/github/workspace/src/diffusion_thomas_algorithm.cc:242:7: note: +3, including nesting penalty of 2, nesting level increased to 3 - 242 | for (int j = resolution_ - 2; j >= 0; j--) { - | ^ -/github/workspace/src/diffusion_thomas_algorithm.cc:252:3: note: +1, including nesting penalty of 0, nesting level increased to 1 - 252 | if (dirichlet_border_) { - | ^ -/github/workspace/src/diffusion_thomas_algorithm.cc:258:3: note: +1, including nesting penalty of 0, nesting level increased to 1 - 258 | for (unsigned int j = 0; j < resolution_; j++) { - | ^ -/github/workspace/src/diffusion_thomas_algorithm.cc:259:5: note: +2, including nesting penalty of 1, nesting level increased to 2 - 259 | for (unsigned int i = 0; i < resolution_; i++) { - | ^ -/github/workspace/src/diffusion_thomas_algorithm.cc:263:7: note: +3, including nesting penalty of 2, nesting level increased to 3 - 263 | for (unsigned int k = 1; k < resolution_; k++) { - | ^ -/github/workspace/src/diffusion_thomas_algorithm.cc:271:7: note: +3, including nesting penalty of 2, nesting level increased to 3 - 271 | for (int k = resolution_ - 2; k >= 0; k--) { - | ^ -/github/workspace/src/diffusion_thomas_algorithm.cc:280:3: note: +1, including nesting penalty of 0, nesting level increased to 1 - 280 | if (dirichlet_border_) { - | ^ /github/workspace/src/diffusion_thomas_algorithm.cc:189:55: warning: parameter 'dt' is unused [misc-unused-parameters] 189 | void DiffusionThomasAlgorithm::DiffuseChemical(real_t dt) { | ^~ @@ -479,9 +367,6 @@ Use -header-filter=.* to display errors from all non-system headers. Use -system /github/workspace/src/diffusion_thomas_algorithm.cc:298:27: warning: lambda capture 'current_time' is not used [clang-diagnostic-unused-lambda-capture] 298 | rm->ForEachAgent([this, current_time](bdm::Agent* agent) { | ~~^~~~~~~~~~~~ -/github/workspace/src/diffusion_thomas_algorithm.cc:298:46: warning: no header providing "bdm::Agent" is directly included [misc-include-cleaner] - 26 | rm->ForEachAgent([this, current_time](bdm::Agent* agent) { - | ^ /github/workspace/src/diffusion_thomas_algorithm.cc:302:7: warning: variable 'conc' of type 'real_t' (aka 'double') can be declared 'const' [misc-const-correctness] 302 | real_t conc = this->GetValue(pos); | ^ diff --git a/src/diffusion_thomas_algorithm.cc b/src/diffusion_thomas_algorithm.cc index 3f48f55..1e47d4d 100644 --- a/src/diffusion_thomas_algorithm.cc +++ b/src/diffusion_thomas_algorithm.cc @@ -19,68 +19,60 @@ * for the compiler-research.org organization. */ #include "diffusion_thomas_algorithm.h" +#include #include #include #include +#include "core/util/root.h" +#include "core/diffusion/diffusion_grid.h" +#include "core/agent/agent.h" +#include "core/real_t.h" #include "cart_cell.h" #include "hyperparams.h" #include "tumor_cell.h" namespace bdm { +// NOLINTNEXTLINE(bugprone-easily-swappable-parameters) DiffusionThomasAlgorithm::DiffusionThomasAlgorithm( int substance_id, std::string substance_name, real_t dc, real_t mu, - int resolution, real_t dt, bool dirichlet_border) // time step - : DiffusionGrid(substance_id, std::move(substance_name), dc, mu, - resolution) { + int resolution, real_t dt, bool dirichlet_border) + : DiffusionGrid(substance_id, std::move(substance_name), dc, mu, resolution), + resolution_(static_cast(GetResolution())), + d_space_(static_cast(kBoundedSpaceLength) / static_cast(resolution_)), + dirichlet_border_(dirichlet_border), + jump_i_(1), + jump_j_(static_cast(resolution_)), + jump_k_(static_cast(resolution_ * resolution_)), + constant1_(dc * dt / (d_space_ * d_space_)), + constant1a_(-constant1_), + constant2_(mu * dt / kDirectionsDivisor), + constant3_(1.0 + 2 * constant1_ + constant2_), + constant3a_(1.0 + constant1_ + constant2_), + thomas_c_x_(resolution_, constant1a_), + thomas_denom_x_(resolution_, constant3_), + thomas_c_y_(resolution_, constant1a_), + thomas_denom_y_(resolution_, constant3_), + thomas_c_z_(resolution_, constant1a_), + thomas_denom_z_(resolution_, constant3_) { + SetTimeStep(dt); - // num of voxels in each direction - resolution_ = GetResolution(); - // Voxel side length in micrometers - d_space_ = kBoundedSpaceLength / resolution_; - - dirichlet_border_ = dirichlet_border; - - jump_i_ = 1; - jump_j_ = resolution_; - jump_k_ = resolution_ * resolution_; - - // all diffusion coefficients are the same for all directions (isotropic) - constant1_ = dc; - constant1_ *= dt / (d_space_ * d_space_); - constant1a_ = -constant1_; - // decay constant - constant2_ = mu; - // Divide by 3 for the three directions - constant2_ *= dt / 3.0; - - constant3_ = 1.0 + 2 * constant1_ + constant2_; - constant3a_ = 1.0 + constant1_ + constant2_; - + // Initialize the denominators and coefficients for the Thomas algorithm - - thomas_c_x_ = std::vector(resolution_, constant1a_); - thomas_denom_x_ = std::vector(resolution_, constant3_); InitializeThomasAlgorithmVectors(thomas_denom_x_, thomas_c_x_); - - thomas_c_y_ = std::vector(resolution_, constant1a_); - thomas_denom_y_ = std::vector(resolution_, constant3_); InitializeThomasAlgorithmVectors(thomas_denom_y_, thomas_c_y_); - - thomas_c_z_ = std::vector(resolution_, constant1a_); - thomas_denom_z_ = std::vector(resolution_, constant3_); InitializeThomasAlgorithmVectors(thomas_denom_z_, thomas_c_z_); } void DiffusionThomasAlgorithm::InitializeThomasAlgorithmVectors( - std::vector& thomas_denom, std::vector& thomas_c) { + std::vector& thomas_denom, std::vector& thomas_c) const { thomas_denom[0] = constant3a_; thomas_denom[resolution_ - 1] = constant3a_; if (resolution_ == 1) { thomas_denom[0] = 1.0 + constant2_; } thomas_c[0] /= thomas_denom[0]; - for (unsigned int i = 1; i < resolution_; ++i) { + for (size_t i = 1; i < resolution_; ++i) { thomas_denom[i] += constant1_ * thomas_c[i - 1]; thomas_c[i] /= thomas_denom[i]; } @@ -88,8 +80,8 @@ void DiffusionThomasAlgorithm::InitializeThomasAlgorithmVectors( // Apply Dirichlet boundary conditions to the grid void DiffusionThomasAlgorithm::ApplyDirichletBoundaryConditions() { - real_t origin = GetDimensionsPtr()[0]; - real_t simulated_time = GetSimulatedTime(); + const real_t origin = GetDimensionsPtr()[0]; // NOLINT(cppcoreguidelines-pro-bounds-pointer-arithmetic) + const real_t simulated_time = GetSimulatedTime(); #pragma omp parallel { // We apply the Dirichlet boundary conditions to the first and last layers in @@ -97,18 +89,18 @@ void DiffusionThomasAlgorithm::ApplyDirichletBoundaryConditions() { #pragma omp for collapse(2) for (size_t y = 0; y < resolution_; y++) { for (size_t x = 0; x < resolution_; x++) { - real_t real_x = origin + x * d_space_; - real_t real_y = origin + y * d_space_; + const real_t real_x = origin + static_cast(x) * d_space_; + const real_t real_y = origin + static_cast(y) * d_space_; // For z=0 size_t z = 0; - real_t real_z = origin + z * d_space_; - SetConcentration(x, y, z, + real_t real_z = origin + static_cast(z) * d_space_; + SetConcentration(static_cast(x), static_cast(y), static_cast(z), GetBoundaryCondition()->Evaluate( real_x, real_y, real_z, simulated_time)); // For z=resolution_-1 z = resolution_ - 1; - real_z = origin + z * d_space_; - SetConcentration(x, y, z, + real_z = origin + static_cast(z) * d_space_; + SetConcentration(static_cast(x), static_cast(y), static_cast(z), GetBoundaryCondition()->Evaluate( real_x, real_y, real_z, simulated_time)); } @@ -117,18 +109,18 @@ void DiffusionThomasAlgorithm::ApplyDirichletBoundaryConditions() { #pragma omp for collapse(2) for (size_t z = 0; z < resolution_; z++) { for (size_t x = 0; x < resolution_; x++) { - real_t real_x = origin + x * d_space_; - real_t real_z = origin + z * d_space_; + const real_t real_x = origin + static_cast(x) * d_space_; + const real_t real_z = origin + static_cast(z) * d_space_; // For y=0 size_t y = 0; - real_t real_y = origin + y * d_space_; - SetConcentration(x, y, z, + real_t real_y = origin + static_cast(y) * d_space_; + SetConcentration(static_cast(x), static_cast(y), static_cast(z), GetBoundaryCondition()->Evaluate( real_x, real_y, real_z, simulated_time)); // For y=resolution_-1 y = resolution_ - 1; - real_y = origin + y * d_space_; - SetConcentration(x, y, z, + real_y = origin + static_cast(y) * d_space_; + SetConcentration(static_cast(x), static_cast(y), static_cast(z), GetBoundaryCondition()->Evaluate( real_x, real_y, real_z, simulated_time)); } @@ -137,18 +129,18 @@ void DiffusionThomasAlgorithm::ApplyDirichletBoundaryConditions() { #pragma omp for collapse(2) for (size_t z = 0; z < resolution_; z++) { for (size_t y = 0; y < resolution_; y++) { - real_t real_y = origin + y * d_space_; - real_t real_z = origin + z * d_space_; + const real_t real_y = origin + static_cast(y) * d_space_; + const real_t real_z = origin + static_cast(z) * d_space_; // For x=0 size_t x = 0; - real_t real_x = origin + x * d_space_; - SetConcentration(x, y, z, + real_t real_x = origin + static_cast(x) * d_space_; + SetConcentration(static_cast(x), static_cast(y), static_cast(z), GetBoundaryCondition()->Evaluate( real_x, real_y, real_z, simulated_time)); // For x=resolution_-1 x = resolution_ - 1; - real_x = origin + x * d_space_; - SetConcentration(x, y, z, + real_x = origin + static_cast(x) * d_space_; + SetConcentration(static_cast(x), static_cast(y), static_cast(z), GetBoundaryCondition()->Evaluate( real_x, real_y, real_z, simulated_time)); } @@ -158,9 +150,10 @@ void DiffusionThomasAlgorithm::ApplyDirichletBoundaryConditions() { // Sets the concentration at a specific voxel void DiffusionThomasAlgorithm::SetConcentration(size_t idx, real_t amount) { - ChangeConcentrationBy(idx, amount - GetAllConcentrations()[idx], + const auto* all_concentrations = GetAllConcentrations(); // NOLINT(cppcoreguidelines-pro-bounds-pointer-arithmetic) + ChangeConcentrationBy(idx, amount - all_concentrations[idx], // NOLINT(cppcoreguidelines-pro-bounds-pointer-arithmetic) InteractionMode::kAdditive, false); -}; +} // Flattens the 3D coordinates (x, y, z) into a 1D index size_t DiffusionThomasAlgorithm::GetBoxIndex(size_t x, size_t y, @@ -168,15 +161,13 @@ size_t DiffusionThomasAlgorithm::GetBoxIndex(size_t x, size_t y, return z * resolution_ * resolution_ + y * resolution_ + x; } -void DiffusionThomasAlgorithm::Step( - real_t dt) { // instead of overwriting Step, in future versions of - // BioDynaMo, we should overwrite CheckParameters +void DiffusionThomasAlgorithm::Step(real_t /*dt*/) { // check if diffusion coefficient and decay constant are 0 // i.e. if we don't need to calculate diffusion update if (IsFixedSubstance()) { return; } - DiffuseChemical(dt); + DiffuseChemical(); // This should be done considering different border cases instead of using the // dirichlet_border_ flag. However, there is a bug in BioDynaMo that makes @@ -186,105 +177,97 @@ void DiffusionThomasAlgorithm::Step( // This method solves the Diffusion Diferential equation using the Alternating // Direction Implicit approach -void DiffusionThomasAlgorithm::DiffuseChemical(real_t dt) { - // Change for the future: to add double buffer for paralelization +void DiffusionThomasAlgorithm::DiffuseChemical() { + ApplyBoundaryConditionsIfNeeded(); + + // Solve for X-direction (direction = 0) + SolveDirectionThomas(0); + ApplyBoundaryConditionsIfNeeded(); + + // Solve for Y-direction (direction = 1) + SolveDirectionThomas(1); + ApplyBoundaryConditionsIfNeeded(); + + // Solve for Z-direction (direction = 2) + SolveDirectionThomas(2); + ApplyBoundaryConditionsIfNeeded(); + + // Change of concentration levels because of agents + ComputeConsumptionsSecretions(); +} +void DiffusionThomasAlgorithm::ApplyBoundaryConditionsIfNeeded() { if (dirichlet_border_) { ApplyDirichletBoundaryConditions(); } +} -// X-direction -#pragma omp parallel for collapse(2) - for (unsigned int k = 0; k < resolution_; k++) { - for (unsigned int j = 0; j < resolution_; j++) { - int ind = GetBoxIndex(0, j, k); +void DiffusionThomasAlgorithm::SolveDirectionThomas(unsigned int direction) { + const auto& thomas_denom = (direction == 0) ? thomas_denom_x_ : + (direction == 1) ? thomas_denom_y_ : thomas_denom_z_; + const auto& thomas_c = (direction == 0) ? thomas_c_x_ : + (direction == 1) ? thomas_c_y_ : thomas_c_z_; + const unsigned int jump = (direction == 0) ? static_cast(jump_i_) : + (direction == 1) ? static_cast(jump_j_) : + static_cast(jump_k_); - SetConcentration(ind, GetAllConcentrations()[ind] / thomas_denom_x_[0]); - // Forward elimination step for x direction - for (unsigned int i = 1; i < resolution_; i++) { - ind = GetBoxIndex(i, j, k); - auto* all_concentrations = GetAllConcentrations(); - SetConcentration(ind, (all_concentrations[ind] + - constant1_ * all_concentrations[ind - jump_i_]) / - thomas_denom_x_[i]); - } - // Back substitution step for x direction - for (int i = resolution_ - 2; i >= 0; i--) { - ind = GetBoxIndex(i, j, k); - auto* all_concentrations = GetAllConcentrations(); - SetConcentration( - ind, all_concentrations[ind] - - thomas_c_x_[i] * all_concentrations[ind + jump_i_]); - } - } - } - - if (dirichlet_border_) { - ApplyDirichletBoundaryConditions(); - } - -// Y-direction #pragma omp parallel for collapse(2) - for (unsigned int k = 0; k < resolution_; k++) { - for (unsigned int i = 0; i < resolution_; i++) { - int ind = GetBoxIndex(i, 0, k); - - SetConcentration(ind, GetAllConcentrations()[ind] / thomas_denom_y_[0]); - // Forward elimination step for y direction - for (unsigned int j = 1; j < resolution_; j++) { - ind = GetBoxIndex(i, j, k); - auto* all_concentrations = GetAllConcentrations(); - SetConcentration(ind, (all_concentrations[ind] + - constant1_ * all_concentrations[ind - jump_j_]) / - thomas_denom_y_[j]); - } - // Back substitution step for y direction - for (int j = resolution_ - 2; j >= 0; j--) { - ind = GetBoxIndex(i, j, k); - auto* all_concentrations = GetAllConcentrations(); - SetConcentration( - ind, all_concentrations[ind] - - thomas_c_y_[j] * all_concentrations[ind + jump_j_]); - } + for (unsigned int outer = 0; outer < resolution_; outer++) { + for (unsigned int middle = 0; middle < resolution_; middle++) { + // Forward elimination step + ForwardElimination(direction, outer, middle, thomas_denom, jump); + + // Back substitution step + BackSubstitution(direction, outer, middle, thomas_c, jump); } } +} - if (dirichlet_border_) { - ApplyDirichletBoundaryConditions(); +void DiffusionThomasAlgorithm::ForwardElimination( + unsigned int direction, unsigned int outer, unsigned int middle, + const std::vector& thomas_denom, unsigned int jump) { + + // Get initial index based on direction + size_t ind = GetLoopIndex(direction, outer, middle, 0); + const auto* all_concentrations = GetAllConcentrations(); // NOLINT(cppcoreguidelines-pro-bounds-pointer-arithmetic) + SetConcentration(ind, all_concentrations[ind] / thomas_denom[0]); // NOLINT(cppcoreguidelines-pro-bounds-pointer-arithmetic) + + // Forward elimination loop + for (unsigned int inner = 1; inner < resolution_; inner++) { + ind = GetLoopIndex(direction, outer, middle, inner); + SetConcentration(ind, (all_concentrations[ind] + // NOLINT(cppcoreguidelines-pro-bounds-pointer-arithmetic) + constant1_ * all_concentrations[ind - jump]) / // NOLINT(cppcoreguidelines-pro-bounds-pointer-arithmetic) + thomas_denom[inner]); } +} -// Z-direction -#pragma omp parallel for collapse(2) - for (unsigned int j = 0; j < resolution_; j++) { - for (unsigned int i = 0; i < resolution_; i++) { - int ind = GetBoxIndex(i, j, 0); - SetConcentration(ind, GetAllConcentrations()[ind] / thomas_denom_z_[0]); - // Forward elimination step for z direction - for (unsigned int k = 1; k < resolution_; k++) { - ind = GetBoxIndex(i, j, k); - auto* all_concentrations = GetAllConcentrations(); - SetConcentration(ind, (all_concentrations[ind] + - constant1_ * all_concentrations[ind - jump_k_]) / - thomas_denom_z_[k]); - } - // Back substitution step for z direction - for (int k = resolution_ - 2; k >= 0; k--) { - ind = GetBoxIndex(i, j, k); - auto* all_concentrations = GetAllConcentrations(); - SetConcentration( - ind, all_concentrations[ind] - - thomas_c_z_[k] * all_concentrations[ind + jump_k_]); - } - } +void DiffusionThomasAlgorithm::BackSubstitution( + unsigned int direction, unsigned int outer, unsigned int middle, + const std::vector& thomas_c, unsigned int jump) { + + const auto* all_concentrations = GetAllConcentrations(); // NOLINT(cppcoreguidelines-pro-bounds-pointer-arithmetic) + + // Back substitution loop + for (int inner = static_cast(resolution_) - 2; inner >= 0; inner--) { + size_t ind = GetLoopIndex(direction, outer, middle, static_cast(inner)); + SetConcentration(ind, all_concentrations[ind] - // NOLINT(cppcoreguidelines-pro-bounds-pointer-arithmetic) + thomas_c[static_cast(inner)] * all_concentrations[ind + jump]); // NOLINT(cppcoreguidelines-pro-bounds-pointer-arithmetic) } - if (dirichlet_border_) { - ApplyDirichletBoundaryConditions(); - } - - // Change of concentration levels because of agents - ComputeConsumptionsSecretions(); +} - return; +size_t DiffusionThomasAlgorithm::GetLoopIndex( + unsigned int direction, unsigned int outer, unsigned int middle, + unsigned int inner) const { + switch (direction) { + case 0: // X-direction: outer=k, middle=j, inner=i + return GetBoxIndex(inner, middle, outer); + case 1: // Y-direction: outer=k, middle=i, inner=j + return GetBoxIndex(middle, inner, outer); + case 2: // Z-direction: outer=j, middle=i, inner=k + return GetBoxIndex(middle, outer, inner); + default: + return 0; + } } void DiffusionThomasAlgorithm::ComputeConsumptionsSecretions() { @@ -292,28 +275,25 @@ void DiffusionThomasAlgorithm::ComputeConsumptionsSecretions() { // substances by the tumor cells. It iterates over all agents and applies the // consumption and secretion behaviors defined in the TumorCell class. auto* rm = bdm::Simulation::GetActive()->GetResourceManager(); - real_t current_time = GetSimulatedTime(); // in a future version of BioDynaMo this should be parallelized getting the - // agents inside each chemical voxel and trating each voxel independently. - rm->ForEachAgent([this, current_time](bdm::Agent* agent) { + // agents inside each chemical voxel and treating each voxel independently. + rm->ForEachAgent([this](bdm::Agent* agent) { if (auto* cell = dynamic_cast(agent)) { // Handle TumorCell agents const auto& pos = cell->GetPosition(); - real_t conc = this->GetValue(pos); - real_t new_conc = cell->ConsumeSecreteSubstance(GetContinuumId(), conc); + const real_t conc = this->GetValue(pos); + const real_t new_conc = cell->ConsumeSecreteSubstance(GetContinuumId(), conc); this->ChangeConcentrationBy(pos, new_conc - conc, InteractionMode::kAdditive, false); } else if (auto* cell = dynamic_cast(agent)) { // Handle CartCell agents const auto& pos = cell->GetPosition(); - real_t conc = GetValue(pos); - real_t new_conc = cell->ConsumeSecreteSubstance(GetContinuumId(), conc); + const real_t conc = GetValue(pos); + const real_t new_conc = cell->ConsumeSecreteSubstance(GetContinuumId(), conc); ChangeConcentrationBy(pos, new_conc - conc, InteractionMode::kAdditive, false); } }); - - return; } -} // namespace bdm +} // namespace bdm \ No newline at end of file diff --git a/src/diffusion_thomas_algorithm.h b/src/diffusion_thomas_algorithm.h index f865abe..19153f1 100644 --- a/src/diffusion_thomas_algorithm.h +++ b/src/diffusion_thomas_algorithm.h @@ -40,12 +40,7 @@ class DiffusionThomasAlgorithm : public DiffusionGrid { DiffusionThomasAlgorithm() : resolution_(0), d_space_(0.0), - thomas_denom_x_(), - thomas_c_x_(), - thomas_denom_y_(), - thomas_c_y_(), - thomas_denom_z_(), - thomas_c_z_(), + dirichlet_border_(false), jump_i_(0), jump_j_(0), jump_k_(0), @@ -54,7 +49,12 @@ class DiffusionThomasAlgorithm : public DiffusionGrid { constant2_(0.0), constant3_(0.0), constant3a_(0.0), - dirichlet_border_(false) {} + thomas_c_x_(), + thomas_denom_x_(), + thomas_c_y_(), + thomas_denom_y_(), + thomas_c_z_(), + thomas_denom_z_() {} DiffusionThomasAlgorithm(int substance_id, std::string substance_name, real_t dc, real_t mu, int resolution, real_t dt, @@ -69,19 +69,17 @@ class DiffusionThomasAlgorithm : public DiffusionGrid { /// These methods are overridden but empty because they are not used. /// This should be fixed in future versions of BioDynaMo. - void DiffuseWithClosedEdge(real_t dt) override {}; - void DiffuseWithOpenEdge(real_t dt) override {}; - void DiffuseWithNeumann(real_t dt) override {}; - void DiffuseWithPeriodic(real_t dt) override {}; - void DiffuseWithDirichlet(real_t dt) override {}; + void DiffuseWithClosedEdge(real_t /*dt*/) override {} + void DiffuseWithOpenEdge(real_t /*dt*/) override {} + void DiffuseWithNeumann(real_t /*dt*/) override {} + void DiffuseWithPeriodic(real_t /*dt*/) override {} + void DiffuseWithDirichlet(real_t /*dt*/) override {} /// Perform chemical diffusion using Thomas algorithm /// /// Computes the diffusion of the substance using the Thomas algorithm /// for solving tridiagonal systems efficiently. - /// - /// @param dt Time step for the diffusion computation - void DiffuseChemical(real_t dt); + void DiffuseChemical(); /// Execute one simulation step /// @@ -139,29 +137,9 @@ class DiffusionThomasAlgorithm : public DiffusionGrid { // NOLINTNEXTLINE(readability-identifier-naming) real_t d_space_; - /// Denominators for x-direction Thomas algorithm - // NOLINTNEXTLINE(readability-identifier-naming) - std::vector thomas_denom_x_; - - /// Coefficients for x-direction Thomas algorithm - // NOLINTNEXTLINE(readability-identifier-naming) - std::vector thomas_c_x_; - - /// Denominators for y-direction Thomas algorithm - // NOLINTNEXTLINE(readability-identifier-naming) - std::vector thomas_denom_y_; - - /// Coefficients for y-direction Thomas algorithm - // NOLINTNEXTLINE(readability-identifier-naming) - std::vector thomas_c_y_; - - /// Denominators for z-direction Thomas algorithm - // NOLINTNEXTLINE(readability-identifier-naming) - std::vector thomas_denom_z_; - - /// Coefficients for z-direction Thomas algorithm + /// Flag indicating Dirichlet boundary conditions // NOLINTNEXTLINE(readability-identifier-naming) - std::vector thomas_c_z_; + bool dirichlet_border_; /// Index jump for i-direction (x-axis) // NOLINTNEXTLINE(readability-identifier-naming) @@ -175,7 +153,6 @@ class DiffusionThomasAlgorithm : public DiffusionGrid { // NOLINTNEXTLINE(readability-identifier-naming) int jump_k_; - /// First diffusion constant // NOLINTNEXTLINE(readability-identifier-naming) real_t constant1_; @@ -196,9 +173,29 @@ class DiffusionThomasAlgorithm : public DiffusionGrid { // NOLINTNEXTLINE(readability-identifier-naming) real_t constant3a_; - /// Flag indicating Dirichlet boundary conditions + /// Coefficients for x-direction Thomas algorithm // NOLINTNEXTLINE(readability-identifier-naming) - bool dirichlet_border_; + std::vector thomas_c_x_; + + /// Denominators for x-direction Thomas algorithm + // NOLINTNEXTLINE(readability-identifier-naming) + std::vector thomas_denom_x_; + + /// Coefficients for y-direction Thomas algorithm + // NOLINTNEXTLINE(readability-identifier-naming) + std::vector thomas_c_y_; + + /// Denominators for y-direction Thomas algorithm + // NOLINTNEXTLINE(readability-identifier-naming) + std::vector thomas_denom_y_; + + /// Coefficients for z-direction Thomas algorithm + // NOLINTNEXTLINE(readability-identifier-naming) + std::vector thomas_c_z_; + + /// Denominators for z-direction Thomas algorithm + // NOLINTNEXTLINE(readability-identifier-naming) + std::vector thomas_denom_z_; /// Initialize Thomas algorithm coefficient vectors /// @@ -208,7 +205,7 @@ class DiffusionThomasAlgorithm : public DiffusionGrid { /// @param thomas_denom Reference to denominator vector to initialize /// @param thomas_c Reference to coefficient vector to initialize void InitializeThomasAlgorithmVectors(std::vector& thomas_denom, - std::vector& thomas_c); + std::vector& thomas_c) const; /// Apply Dirichlet boundary conditions to the diffusion grid /// @@ -224,9 +221,49 @@ class DiffusionThomasAlgorithm : public DiffusionGrid { /// @return Linear index in the flattened 3D array size_t GetBoxIndex(size_t x, size_t y, size_t z) const; + /// Apply boundary conditions if Dirichlet boundaries are enabled + void ApplyBoundaryConditionsIfNeeded(); + + /// Solve Thomas algorithm for a specific direction + /// + /// @param direction Direction to solve (0=X, 1=Y, 2=Z) + void SolveDirectionThomas(unsigned int direction); + + /// Perform forward elimination step of Thomas algorithm + /// + /// @param direction Direction being solved (0=X, 1=Y, 2=Z) + /// @param outer Outer loop index + /// @param middle Middle loop index + /// @param thomas_denom Precomputed denominators for this direction + /// @param jump Index jump value for this direction + void ForwardElimination(unsigned int direction, unsigned int outer, + unsigned int middle, const std::vector& thomas_denom, + unsigned int jump); + + /// Perform back substitution step of Thomas algorithm + /// + /// @param direction Direction being solved (0=X, 1=Y, 2=Z) + /// @param outer Outer loop index + /// @param middle Middle loop index + /// @param thomas_c Precomputed coefficients for this direction + /// @param jump Index jump value for this direction + void BackSubstitution(unsigned int direction, unsigned int outer, + unsigned int middle, const std::vector& thomas_c, + unsigned int jump); + + /// Get the linear index for given direction and loop indices + /// + /// @param direction Direction (0=X, 1=Y, 2=Z) + /// @param outer Outer loop index + /// @param middle Middle loop index + /// @param inner Inner loop index + /// @return Linear index in the flattened array + size_t GetLoopIndex(unsigned int direction, unsigned int outer, + unsigned int middle, unsigned int inner) const; + BDM_CLASS_DEF_OVERRIDE(DiffusionThomasAlgorithm, 1); }; } // namespace bdm -#endif // DIFFUSION_THOMAS_ALGORITHM_H_ +#endif // DIFFUSION_THOMAS_ALGORITHM_H_ \ No newline at end of file diff --git a/src/hyperparams.h b/src/hyperparams.h index af8ef3b..f94432d 100644 --- a/src/hyperparams.h +++ b/src/hyperparams.h @@ -179,6 +179,8 @@ constexpr real_t kAdhesionCartCart = 0.0; constexpr real_t kAdhesionCartTumor = 0.0; /// Adhesion coeficient between tumor cells and CAR-T cells constexpr real_t kAdhesionTumorCart = 0.0; +/// Divisor for dividing directions +constexpr real_t kDirectionsDivisor = 3.0; /// Do not change // coefficientes for the two step Adams-Bashforth approximation of the time From b176206d0ac4ede0b512f7d515252bd50f0ed819 Mon Sep 17 00:00:00 2001 From: salva24 Date: Fri, 29 Aug 2025 12:03:45 +0200 Subject: [PATCH 37/47] diffusion_thomas_algorithm.cc refactorized tidy --- clang_output.txt | 391 ----------------------------------------------- 1 file changed, 391 deletions(-) diff --git a/clang_output.txt b/clang_output.txt index 9adb517..8f4a79c 100644 --- a/clang_output.txt +++ b/clang_output.txt @@ -1,394 +1,3 @@ -/github/workspace/src/diffusion_thomas_algorithm.cc:38:3: warning: 'resolution_' should be initialized in a member initializer of the constructor [cppcoreguidelines-prefer-member-initializer] - 35 | resolution) { - | , resolution_(GetResolution()) - 36 | SetTimeStep(dt); - 37 | // num of voxels in each direction - 38 | resolution_ = GetResolution(); - | ^~~~~~~~~~~~~~~~~~~~~~~~~~~~~~ -/github/workspace/src/diffusion_thomas_algorithm.cc:40:3: warning: 'd_space_' should be initialized in a member initializer of the constructor [cppcoreguidelines-prefer-member-initializer] - 35 | resolution) { - | , d_space_(kBoundedSpaceLength / resolution_) - 36 | SetTimeStep(dt); - 37 | // num of voxels in each direction - 38 | resolution_ = GetResolution(); - 39 | // Voxel side length in micrometers - 40 | d_space_ = kBoundedSpaceLength / resolution_; - | ^~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~ -/github/workspace/src/diffusion_thomas_algorithm.cc:40:14: warning: result of integer division used in a floating point context; possible loss of precision [bugprone-integer-division] - 40 | d_space_ = kBoundedSpaceLength / resolution_; - | ^ -/github/workspace/src/diffusion_thomas_algorithm.cc:40:14: warning: narrowing conversion from 'size_t' (aka 'unsigned long') to 'real_t' (aka 'double') [bugprone-narrowing-conversions,cppcoreguidelines-narrowing-conversions] -/github/workspace/src/diffusion_thomas_algorithm.cc:42:3: warning: 'dirichlet_border_' should be initialized in a member initializer of the constructor [cppcoreguidelines-prefer-member-initializer] - 35 | resolution) { - | , dirichlet_border_(dirichlet_border) - 36 | SetTimeStep(dt); - 37 | // num of voxels in each direction - 38 | resolution_ = GetResolution(); - 39 | // Voxel side length in micrometers - 40 | d_space_ = kBoundedSpaceLength / resolution_; - 41 | - 42 | dirichlet_border_ = dirichlet_border; - | ^~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~ -/github/workspace/src/diffusion_thomas_algorithm.cc:44:3: warning: 'jump_i_' should be initialized in a member initializer of the constructor [cppcoreguidelines-prefer-member-initializer] - 35 | resolution) { - | , jump_i_(1) - 36 | SetTimeStep(dt); - 37 | // num of voxels in each direction - 38 | resolution_ = GetResolution(); - 39 | // Voxel side length in micrometers - 40 | d_space_ = kBoundedSpaceLength / resolution_; - 41 | - 42 | dirichlet_border_ = dirichlet_border; - 43 | - 44 | jump_i_ = 1; - | ^~~~~~~~~~~~ -/github/workspace/src/diffusion_thomas_algorithm.cc:45:3: warning: 'jump_j_' should be initialized in a member initializer of the constructor [cppcoreguidelines-prefer-member-initializer] - 35 | resolution) { - | , jump_j_(resolution_) - 36 | SetTimeStep(dt); - 37 | // num of voxels in each direction - 38 | resolution_ = GetResolution(); - 39 | // Voxel side length in micrometers - 40 | d_space_ = kBoundedSpaceLength / resolution_; - 41 | - 42 | dirichlet_border_ = dirichlet_border; - 43 | - 44 | jump_i_ = 1; - 45 | jump_j_ = resolution_; - | ^~~~~~~~~~~~~~~~~~~~~~ -/github/workspace/src/diffusion_thomas_algorithm.cc:45:13: warning: narrowing conversion from 'size_t' (aka 'unsigned long') to signed type 'int' is implementation-defined [bugprone-narrowing-conversions,cppcoreguidelines-narrowing-conversions] - 45 | jump_j_ = resolution_; - | ^ -/github/workspace/src/diffusion_thomas_algorithm.cc:46:3: warning: 'jump_k_' should be initialized in a member initializer of the constructor [cppcoreguidelines-prefer-member-initializer] - 35 | resolution) { - | , jump_k_(resolution_ * resolution_) - 36 | SetTimeStep(dt); - 37 | // num of voxels in each direction - 38 | resolution_ = GetResolution(); - 39 | // Voxel side length in micrometers - 40 | d_space_ = kBoundedSpaceLength / resolution_; - 41 | - 42 | dirichlet_border_ = dirichlet_border; - 43 | - 44 | jump_i_ = 1; - 45 | jump_j_ = resolution_; - 46 | jump_k_ = resolution_ * resolution_; - | ^~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~ -/github/workspace/src/diffusion_thomas_algorithm.cc:46:13: warning: narrowing conversion from 'size_t' (aka 'unsigned long') to signed type 'int' is implementation-defined [bugprone-narrowing-conversions,cppcoreguidelines-narrowing-conversions] - 46 | jump_k_ = resolution_ * resolution_; - | ^ -/github/workspace/src/diffusion_thomas_algorithm.cc:49:3: warning: 'constant1_' should be initialized in a member initializer of the constructor [cppcoreguidelines-prefer-member-initializer] - 35 | resolution) { - | , constant1_(dc) - 36 | SetTimeStep(dt); - 37 | // num of voxels in each direction - 38 | resolution_ = GetResolution(); - 39 | // Voxel side length in micrometers - 40 | d_space_ = kBoundedSpaceLength / resolution_; - 41 | - 42 | dirichlet_border_ = dirichlet_border; - 43 | - 44 | jump_i_ = 1; - 45 | jump_j_ = resolution_; - 46 | jump_k_ = resolution_ * resolution_; - 47 | - 48 | // all diffusion coefficients are the same for all directions (isotropic) - 49 | constant1_ = dc; - | ^~~~~~~~~~~~~~~~ -/github/workspace/src/diffusion_thomas_algorithm.cc:51:3: warning: 'constant1a_' should be initialized in a member initializer of the constructor [cppcoreguidelines-prefer-member-initializer] - 35 | constant1a_ = -constant1_; - | ^~~~~~~~~~~~~~~~~~~~~~~~~~ -/github/workspace/src/diffusion_thomas_algorithm.cc:53:3: warning: 'constant2_' should be initialized in a member initializer of the constructor [cppcoreguidelines-prefer-member-initializer] - 35 | constant2_ = mu; - | ^~~~~~~~~~~~~~~~ -/github/workspace/src/diffusion_thomas_algorithm.cc:55:22: warning: 3.0 is a magic number; consider replacing it with a named constant [cppcoreguidelines-avoid-magic-numbers,readability-magic-numbers] - 55 | constant2_ *= dt / 3.0; - | ^ -/github/workspace/src/diffusion_thomas_algorithm.cc:57:3: warning: 'constant3_' should be initialized in a member initializer of the constructor [cppcoreguidelines-prefer-member-initializer] - 35 | constant3_ = 1.0 + 2 * constant1_ + constant2_; - | ^~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~ -/github/workspace/src/diffusion_thomas_algorithm.cc:58:3: warning: 'constant3a_' should be initialized in a member initializer of the constructor [cppcoreguidelines-prefer-member-initializer] - 35 | constant3a_ = 1.0 + constant1_ + constant2_; - | ^~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~ -/github/workspace/src/diffusion_thomas_algorithm.cc:75:32: warning: method 'InitializeThomasAlgorithmVectors' can be made const [readability-make-member-function-const] - 75 | void DiffusionThomasAlgorithm::InitializeThomasAlgorithmVectors( - | ^ - 76 | std::vector& thomas_denom, std::vector& thomas_c) { - | const -/github/workspace/src/diffusion_thomas_algorithm.cc:91:3: warning: variable 'origin' of type 'real_t' (aka 'double') can be declared 'const' [misc-const-correctness] - 91 | real_t origin = GetDimensionsPtr()[0]; - | ^ - | const -/github/workspace/src/diffusion_thomas_algorithm.cc:91:19: warning: do not use pointer arithmetic [cppcoreguidelines-pro-bounds-pointer-arithmetic] - 91 | real_t origin = GetDimensionsPtr()[0]; - | ^ -/github/workspace/src/diffusion_thomas_algorithm.cc:92:3: warning: variable 'simulated_time' of type 'real_t' (aka 'double') can be declared 'const' [misc-const-correctness] - 92 | real_t simulated_time = GetSimulatedTime(); - | ^ - | const -/github/workspace/src/diffusion_thomas_algorithm.cc:98:10: warning: no header providing "size_t" is directly included [misc-include-cleaner] - 22 | for (size_t y = 0; y < resolution_; y++) { - | ^ -/github/workspace/src/diffusion_thomas_algorithm.cc:100:9: warning: variable 'real_x' of type 'real_t' (aka 'double') can be declared 'const' [misc-const-correctness] - 100 | real_t real_x = origin + x * d_space_; - | ^ - | const -/github/workspace/src/diffusion_thomas_algorithm.cc:100:34: warning: narrowing conversion from 'size_t' (aka 'unsigned long') to 'real_t' (aka 'double') [bugprone-narrowing-conversions,cppcoreguidelines-narrowing-conversions] - 100 | real_t real_x = origin + x * d_space_; - | ^ -/github/workspace/src/diffusion_thomas_algorithm.cc:101:9: warning: variable 'real_y' of type 'real_t' (aka 'double') can be declared 'const' [misc-const-correctness] - 101 | real_t real_y = origin + y * d_space_; - | ^ - | const -/github/workspace/src/diffusion_thomas_algorithm.cc:101:34: warning: narrowing conversion from 'size_t' (aka 'unsigned long') to 'real_t' (aka 'double') [bugprone-narrowing-conversions,cppcoreguidelines-narrowing-conversions] - 101 | real_t real_y = origin + y * d_space_; - | ^ -/github/workspace/src/diffusion_thomas_algorithm.cc:104:34: warning: narrowing conversion from 'size_t' (aka 'unsigned long') to 'real_t' (aka 'double') [bugprone-narrowing-conversions,cppcoreguidelines-narrowing-conversions] - 104 | real_t real_z = origin + z * d_space_; - | ^ -/github/workspace/src/diffusion_thomas_algorithm.cc:105:26: warning: narrowing conversion from 'size_t' (aka 'unsigned long') to 'real_t' (aka 'double') [bugprone-narrowing-conversions,cppcoreguidelines-narrowing-conversions] - 105 | SetConcentration(x, y, z, - | ^ -/github/workspace/src/diffusion_thomas_algorithm.cc:105:29: warning: narrowing conversion from 'size_t' (aka 'unsigned long') to 'real_t' (aka 'double') [bugprone-narrowing-conversions,cppcoreguidelines-narrowing-conversions] - 105 | SetConcentration(x, y, z, - | ^ -/github/workspace/src/diffusion_thomas_algorithm.cc:105:32: warning: narrowing conversion from 'size_t' (aka 'unsigned long') to 'real_t' (aka 'double') [bugprone-narrowing-conversions,cppcoreguidelines-narrowing-conversions] - 105 | SetConcentration(x, y, z, - | ^ -/github/workspace/src/diffusion_thomas_algorithm.cc:110:27: warning: narrowing conversion from 'size_t' (aka 'unsigned long') to 'real_t' (aka 'double') [bugprone-narrowing-conversions,cppcoreguidelines-narrowing-conversions] - 110 | real_z = origin + z * d_space_; - | ^ -/github/workspace/src/diffusion_thomas_algorithm.cc:111:26: warning: narrowing conversion from 'size_t' (aka 'unsigned long') to 'real_t' (aka 'double') [bugprone-narrowing-conversions,cppcoreguidelines-narrowing-conversions] - 111 | SetConcentration(x, y, z, - | ^ -/github/workspace/src/diffusion_thomas_algorithm.cc:111:29: warning: narrowing conversion from 'size_t' (aka 'unsigned long') to 'real_t' (aka 'double') [bugprone-narrowing-conversions,cppcoreguidelines-narrowing-conversions] - 111 | SetConcentration(x, y, z, - | ^ -/github/workspace/src/diffusion_thomas_algorithm.cc:111:32: warning: narrowing conversion from 'size_t' (aka 'unsigned long') to 'real_t' (aka 'double') [bugprone-narrowing-conversions,cppcoreguidelines-narrowing-conversions] - 111 | SetConcentration(x, y, z, - | ^ -/github/workspace/src/diffusion_thomas_algorithm.cc:120:9: warning: variable 'real_x' of type 'real_t' (aka 'double') can be declared 'const' [misc-const-correctness] - 120 | real_t real_x = origin + x * d_space_; - | ^ - | const -/github/workspace/src/diffusion_thomas_algorithm.cc:120:34: warning: narrowing conversion from 'size_t' (aka 'unsigned long') to 'real_t' (aka 'double') [bugprone-narrowing-conversions,cppcoreguidelines-narrowing-conversions] - 120 | real_t real_x = origin + x * d_space_; - | ^ -/github/workspace/src/diffusion_thomas_algorithm.cc:121:9: warning: variable 'real_z' of type 'real_t' (aka 'double') can be declared 'const' [misc-const-correctness] - 121 | real_t real_z = origin + z * d_space_; - | ^ - | const -/github/workspace/src/diffusion_thomas_algorithm.cc:121:34: warning: narrowing conversion from 'size_t' (aka 'unsigned long') to 'real_t' (aka 'double') [bugprone-narrowing-conversions,cppcoreguidelines-narrowing-conversions] - 121 | real_t real_z = origin + z * d_space_; - | ^ -/github/workspace/src/diffusion_thomas_algorithm.cc:124:34: warning: narrowing conversion from 'size_t' (aka 'unsigned long') to 'real_t' (aka 'double') [bugprone-narrowing-conversions,cppcoreguidelines-narrowing-conversions] - 124 | real_t real_y = origin + y * d_space_; - | ^ -/github/workspace/src/diffusion_thomas_algorithm.cc:125:26: warning: narrowing conversion from 'size_t' (aka 'unsigned long') to 'real_t' (aka 'double') [bugprone-narrowing-conversions,cppcoreguidelines-narrowing-conversions] - 125 | SetConcentration(x, y, z, - | ^ -/github/workspace/src/diffusion_thomas_algorithm.cc:125:29: warning: narrowing conversion from 'size_t' (aka 'unsigned long') to 'real_t' (aka 'double') [bugprone-narrowing-conversions,cppcoreguidelines-narrowing-conversions] - 125 | SetConcentration(x, y, z, - | ^ -/github/workspace/src/diffusion_thomas_algorithm.cc:125:32: warning: narrowing conversion from 'size_t' (aka 'unsigned long') to 'real_t' (aka 'double') [bugprone-narrowing-conversions,cppcoreguidelines-narrowing-conversions] - 125 | SetConcentration(x, y, z, - | ^ -/github/workspace/src/diffusion_thomas_algorithm.cc:130:27: warning: narrowing conversion from 'size_t' (aka 'unsigned long') to 'real_t' (aka 'double') [bugprone-narrowing-conversions,cppcoreguidelines-narrowing-conversions] - 130 | real_y = origin + y * d_space_; - | ^ -/github/workspace/src/diffusion_thomas_algorithm.cc:131:26: warning: narrowing conversion from 'size_t' (aka 'unsigned long') to 'real_t' (aka 'double') [bugprone-narrowing-conversions,cppcoreguidelines-narrowing-conversions] - 131 | SetConcentration(x, y, z, - | ^ -/github/workspace/src/diffusion_thomas_algorithm.cc:131:29: warning: narrowing conversion from 'size_t' (aka 'unsigned long') to 'real_t' (aka 'double') [bugprone-narrowing-conversions,cppcoreguidelines-narrowing-conversions] - 131 | SetConcentration(x, y, z, - | ^ -/github/workspace/src/diffusion_thomas_algorithm.cc:131:32: warning: narrowing conversion from 'size_t' (aka 'unsigned long') to 'real_t' (aka 'double') [bugprone-narrowing-conversions,cppcoreguidelines-narrowing-conversions] - 131 | SetConcentration(x, y, z, - | ^ -/github/workspace/src/diffusion_thomas_algorithm.cc:140:9: warning: variable 'real_y' of type 'real_t' (aka 'double') can be declared 'const' [misc-const-correctness] - 140 | real_t real_y = origin + y * d_space_; - | ^ - | const -/github/workspace/src/diffusion_thomas_algorithm.cc:140:34: warning: narrowing conversion from 'size_t' (aka 'unsigned long') to 'real_t' (aka 'double') [bugprone-narrowing-conversions,cppcoreguidelines-narrowing-conversions] - 140 | real_t real_y = origin + y * d_space_; - | ^ -/github/workspace/src/diffusion_thomas_algorithm.cc:141:9: warning: variable 'real_z' of type 'real_t' (aka 'double') can be declared 'const' [misc-const-correctness] - 141 | real_t real_z = origin + z * d_space_; - | ^ - | const -/github/workspace/src/diffusion_thomas_algorithm.cc:141:34: warning: narrowing conversion from 'size_t' (aka 'unsigned long') to 'real_t' (aka 'double') [bugprone-narrowing-conversions,cppcoreguidelines-narrowing-conversions] - 141 | real_t real_z = origin + z * d_space_; - | ^ -/github/workspace/src/diffusion_thomas_algorithm.cc:144:34: warning: narrowing conversion from 'size_t' (aka 'unsigned long') to 'real_t' (aka 'double') [bugprone-narrowing-conversions,cppcoreguidelines-narrowing-conversions] - 144 | real_t real_x = origin + x * d_space_; - | ^ -/github/workspace/src/diffusion_thomas_algorithm.cc:145:26: warning: narrowing conversion from 'size_t' (aka 'unsigned long') to 'real_t' (aka 'double') [bugprone-narrowing-conversions,cppcoreguidelines-narrowing-conversions] - 145 | SetConcentration(x, y, z, - | ^ -/github/workspace/src/diffusion_thomas_algorithm.cc:145:29: warning: narrowing conversion from 'size_t' (aka 'unsigned long') to 'real_t' (aka 'double') [bugprone-narrowing-conversions,cppcoreguidelines-narrowing-conversions] - 145 | SetConcentration(x, y, z, - | ^ -/github/workspace/src/diffusion_thomas_algorithm.cc:145:32: warning: narrowing conversion from 'size_t' (aka 'unsigned long') to 'real_t' (aka 'double') [bugprone-narrowing-conversions,cppcoreguidelines-narrowing-conversions] - 145 | SetConcentration(x, y, z, - | ^ -/github/workspace/src/diffusion_thomas_algorithm.cc:150:27: warning: narrowing conversion from 'size_t' (aka 'unsigned long') to 'real_t' (aka 'double') [bugprone-narrowing-conversions,cppcoreguidelines-narrowing-conversions] - 150 | real_x = origin + x * d_space_; - | ^ -/github/workspace/src/diffusion_thomas_algorithm.cc:151:26: warning: narrowing conversion from 'size_t' (aka 'unsigned long') to 'real_t' (aka 'double') [bugprone-narrowing-conversions,cppcoreguidelines-narrowing-conversions] - 151 | SetConcentration(x, y, z, - | ^ -/github/workspace/src/diffusion_thomas_algorithm.cc:151:29: warning: narrowing conversion from 'size_t' (aka 'unsigned long') to 'real_t' (aka 'double') [bugprone-narrowing-conversions,cppcoreguidelines-narrowing-conversions] - 151 | SetConcentration(x, y, z, - | ^ -/github/workspace/src/diffusion_thomas_algorithm.cc:151:32: warning: narrowing conversion from 'size_t' (aka 'unsigned long') to 'real_t' (aka 'double') [bugprone-narrowing-conversions,cppcoreguidelines-narrowing-conversions] - 151 | SetConcentration(x, y, z, - | ^ -/github/workspace/src/diffusion_thomas_algorithm.cc:161:39: warning: do not use pointer arithmetic [cppcoreguidelines-pro-bounds-pointer-arithmetic] - 161 | ChangeConcentrationBy(idx, amount - GetAllConcentrations()[idx], - | ^ -/github/workspace/src/diffusion_thomas_algorithm.cc:189:55: warning: parameter 'dt' is unused [misc-unused-parameters] - 189 | void DiffusionThomasAlgorithm::DiffuseChemical(real_t dt) { - | ^~ - | /*dt*/ -/github/workspace/src/diffusion_thomas_algorithm.cc:200:17: warning: narrowing conversion from 'size_t' (aka 'unsigned long') to signed type 'int' is implementation-defined [bugprone-narrowing-conversions,cppcoreguidelines-narrowing-conversions] - 200 | int ind = GetBoxIndex(0, j, k); - | ^ -/github/workspace/src/diffusion_thomas_algorithm.cc:202:29: warning: do not use pointer arithmetic [cppcoreguidelines-pro-bounds-pointer-arithmetic] - 202 | SetConcentration(ind, GetAllConcentrations()[ind] / thomas_denom_x_[0]); - | ^ -/github/workspace/src/diffusion_thomas_algorithm.cc:205:15: warning: narrowing conversion from 'size_t' (aka 'unsigned long') to signed type 'int' is implementation-defined [bugprone-narrowing-conversions,cppcoreguidelines-narrowing-conversions] - 205 | ind = GetBoxIndex(i, j, k); - | ^ -/github/workspace/src/diffusion_thomas_algorithm.cc:206:9: warning: 'auto *all_concentrations' can be declared as 'const auto *all_concentrations' [readability-qualified-auto] - 206 | auto* all_concentrations = GetAllConcentrations(); - | ^ - | const -/github/workspace/src/diffusion_thomas_algorithm.cc:207:32: warning: do not use pointer arithmetic [cppcoreguidelines-pro-bounds-pointer-arithmetic] - 207 | SetConcentration(ind, (all_concentrations[ind] + - | ^ -/github/workspace/src/diffusion_thomas_algorithm.cc:208:45: warning: do not use pointer arithmetic [cppcoreguidelines-pro-bounds-pointer-arithmetic] - 208 | constant1_ * all_concentrations[ind - jump_i_]) / - | ^ -/github/workspace/src/diffusion_thomas_algorithm.cc:212:20: warning: narrowing conversion from 'size_t' (aka 'unsigned long') to signed type 'int' is implementation-defined [bugprone-narrowing-conversions,cppcoreguidelines-narrowing-conversions] - 212 | for (int i = resolution_ - 2; i >= 0; i--) { - | ^ -/github/workspace/src/diffusion_thomas_algorithm.cc:213:15: warning: narrowing conversion from 'size_t' (aka 'unsigned long') to signed type 'int' is implementation-defined [bugprone-narrowing-conversions,cppcoreguidelines-narrowing-conversions] - 213 | ind = GetBoxIndex(i, j, k); - | ^ -/github/workspace/src/diffusion_thomas_algorithm.cc:214:9: warning: 'auto *all_concentrations' can be declared as 'const auto *all_concentrations' [readability-qualified-auto] - 214 | auto* all_concentrations = GetAllConcentrations(); - | ^ - | const -/github/workspace/src/diffusion_thomas_algorithm.cc:216:18: warning: do not use pointer arithmetic [cppcoreguidelines-pro-bounds-pointer-arithmetic] - 216 | ind, all_concentrations[ind] - - | ^ -/github/workspace/src/diffusion_thomas_algorithm.cc:217:39: warning: do not use pointer arithmetic [cppcoreguidelines-pro-bounds-pointer-arithmetic] - 217 | thomas_c_x_[i] * all_concentrations[ind + jump_i_]); - | ^ -/github/workspace/src/diffusion_thomas_algorithm.cc:230:17: warning: narrowing conversion from 'size_t' (aka 'unsigned long') to signed type 'int' is implementation-defined [bugprone-narrowing-conversions,cppcoreguidelines-narrowing-conversions] - 230 | int ind = GetBoxIndex(i, 0, k); - | ^ -/github/workspace/src/diffusion_thomas_algorithm.cc:232:29: warning: do not use pointer arithmetic [cppcoreguidelines-pro-bounds-pointer-arithmetic] - 232 | SetConcentration(ind, GetAllConcentrations()[ind] / thomas_denom_y_[0]); - | ^ -/github/workspace/src/diffusion_thomas_algorithm.cc:235:15: warning: narrowing conversion from 'size_t' (aka 'unsigned long') to signed type 'int' is implementation-defined [bugprone-narrowing-conversions,cppcoreguidelines-narrowing-conversions] - 235 | ind = GetBoxIndex(i, j, k); - | ^ -/github/workspace/src/diffusion_thomas_algorithm.cc:236:9: warning: 'auto *all_concentrations' can be declared as 'const auto *all_concentrations' [readability-qualified-auto] - 236 | auto* all_concentrations = GetAllConcentrations(); - | ^ - | const -/github/workspace/src/diffusion_thomas_algorithm.cc:237:32: warning: do not use pointer arithmetic [cppcoreguidelines-pro-bounds-pointer-arithmetic] - 237 | SetConcentration(ind, (all_concentrations[ind] + - | ^ -/github/workspace/src/diffusion_thomas_algorithm.cc:238:45: warning: do not use pointer arithmetic [cppcoreguidelines-pro-bounds-pointer-arithmetic] - 238 | constant1_ * all_concentrations[ind - jump_j_]) / - | ^ -/github/workspace/src/diffusion_thomas_algorithm.cc:242:20: warning: narrowing conversion from 'size_t' (aka 'unsigned long') to signed type 'int' is implementation-defined [bugprone-narrowing-conversions,cppcoreguidelines-narrowing-conversions] - 242 | for (int j = resolution_ - 2; j >= 0; j--) { - | ^ -/github/workspace/src/diffusion_thomas_algorithm.cc:243:15: warning: narrowing conversion from 'size_t' (aka 'unsigned long') to signed type 'int' is implementation-defined [bugprone-narrowing-conversions,cppcoreguidelines-narrowing-conversions] - 243 | ind = GetBoxIndex(i, j, k); - | ^ -/github/workspace/src/diffusion_thomas_algorithm.cc:244:9: warning: 'auto *all_concentrations' can be declared as 'const auto *all_concentrations' [readability-qualified-auto] - 244 | auto* all_concentrations = GetAllConcentrations(); - | ^ - | const -/github/workspace/src/diffusion_thomas_algorithm.cc:246:18: warning: do not use pointer arithmetic [cppcoreguidelines-pro-bounds-pointer-arithmetic] - 246 | ind, all_concentrations[ind] - - | ^ -/github/workspace/src/diffusion_thomas_algorithm.cc:247:39: warning: do not use pointer arithmetic [cppcoreguidelines-pro-bounds-pointer-arithmetic] - 247 | thomas_c_y_[j] * all_concentrations[ind + jump_j_]); - | ^ -/github/workspace/src/diffusion_thomas_algorithm.cc:260:17: warning: narrowing conversion from 'size_t' (aka 'unsigned long') to signed type 'int' is implementation-defined [bugprone-narrowing-conversions,cppcoreguidelines-narrowing-conversions] - 260 | int ind = GetBoxIndex(i, j, 0); - | ^ -/github/workspace/src/diffusion_thomas_algorithm.cc:261:29: warning: do not use pointer arithmetic [cppcoreguidelines-pro-bounds-pointer-arithmetic] - 261 | SetConcentration(ind, GetAllConcentrations()[ind] / thomas_denom_z_[0]); - | ^ -/github/workspace/src/diffusion_thomas_algorithm.cc:264:15: warning: narrowing conversion from 'size_t' (aka 'unsigned long') to signed type 'int' is implementation-defined [bugprone-narrowing-conversions,cppcoreguidelines-narrowing-conversions] - 264 | ind = GetBoxIndex(i, j, k); - | ^ -/github/workspace/src/diffusion_thomas_algorithm.cc:265:9: warning: 'auto *all_concentrations' can be declared as 'const auto *all_concentrations' [readability-qualified-auto] - 265 | auto* all_concentrations = GetAllConcentrations(); - | ^ - | const -/github/workspace/src/diffusion_thomas_algorithm.cc:266:32: warning: do not use pointer arithmetic [cppcoreguidelines-pro-bounds-pointer-arithmetic] - 266 | SetConcentration(ind, (all_concentrations[ind] + - | ^ -/github/workspace/src/diffusion_thomas_algorithm.cc:267:45: warning: do not use pointer arithmetic [cppcoreguidelines-pro-bounds-pointer-arithmetic] - 267 | constant1_ * all_concentrations[ind - jump_k_]) / - | ^ -/github/workspace/src/diffusion_thomas_algorithm.cc:271:20: warning: narrowing conversion from 'size_t' (aka 'unsigned long') to signed type 'int' is implementation-defined [bugprone-narrowing-conversions,cppcoreguidelines-narrowing-conversions] - 271 | for (int k = resolution_ - 2; k >= 0; k--) { - | ^ -/github/workspace/src/diffusion_thomas_algorithm.cc:272:15: warning: narrowing conversion from 'size_t' (aka 'unsigned long') to signed type 'int' is implementation-defined [bugprone-narrowing-conversions,cppcoreguidelines-narrowing-conversions] - 272 | ind = GetBoxIndex(i, j, k); - | ^ -/github/workspace/src/diffusion_thomas_algorithm.cc:273:9: warning: 'auto *all_concentrations' can be declared as 'const auto *all_concentrations' [readability-qualified-auto] - 273 | auto* all_concentrations = GetAllConcentrations(); - | ^ - | const -/github/workspace/src/diffusion_thomas_algorithm.cc:275:18: warning: do not use pointer arithmetic [cppcoreguidelines-pro-bounds-pointer-arithmetic] - 275 | ind, all_concentrations[ind] - - | ^ -/github/workspace/src/diffusion_thomas_algorithm.cc:276:39: warning: do not use pointer arithmetic [cppcoreguidelines-pro-bounds-pointer-arithmetic] - 276 | thomas_c_z_[k] * all_concentrations[ind + jump_k_]); - | ^ -/github/workspace/src/diffusion_thomas_algorithm.cc:287:3: warning: redundant return statement at the end of a function with a void return type [readability-redundant-control-flow] - 286 | - 287 | return; - | ^~~~~~~ - 288 | } -/github/workspace/src/diffusion_thomas_algorithm.cc:295:3: warning: variable 'current_time' of type 'real_t' (aka 'double') can be declared 'const' [misc-const-correctness] - 295 | real_t current_time = GetSimulatedTime(); - | ^ - | const -/github/workspace/src/diffusion_thomas_algorithm.cc:298:27: warning: lambda capture 'current_time' is not used [clang-diagnostic-unused-lambda-capture] - 298 | rm->ForEachAgent([this, current_time](bdm::Agent* agent) { - | ~~^~~~~~~~~~~~ -/github/workspace/src/diffusion_thomas_algorithm.cc:302:7: warning: variable 'conc' of type 'real_t' (aka 'double') can be declared 'const' [misc-const-correctness] - 302 | real_t conc = this->GetValue(pos); - | ^ - | const -/github/workspace/src/diffusion_thomas_algorithm.cc:303:7: warning: variable 'new_conc' of type 'real_t' (aka 'double') can be declared 'const' [misc-const-correctness] - 303 | real_t new_conc = cell->ConsumeSecreteSubstance(GetContinuumId(), conc); - | ^ - | const -/github/workspace/src/diffusion_thomas_algorithm.cc:309:7: warning: variable 'conc' of type 'real_t' (aka 'double') can be declared 'const' [misc-const-correctness] - 309 | real_t conc = GetValue(pos); - | ^ - | const -/github/workspace/src/diffusion_thomas_algorithm.cc:310:7: warning: variable 'new_conc' of type 'real_t' (aka 'double') can be declared 'const' [misc-const-correctness] - 310 | real_t new_conc = cell->ConsumeSecreteSubstance(GetContinuumId(), conc); - | ^ - | const -/github/workspace/src/diffusion_thomas_algorithm.cc:316:3: warning: redundant return statement at the end of a function with a void return type [readability-redundant-control-flow] - 315 | - 316 | return; - | ^~~~~~~ - 317 | } -src/cart_tumor.cc: clang-tidy-18 -p=build -line-filter=[{\"name\":\"src/cart_cell.cc\",\"lines\":[[1,321]]},{\"name\":\"src/cart_cell.h\",\"lines\":[[1,250]]},{\"name\":\"src/cart_tumor.cc\",\"lines\":[[1,133]]},{\"name\":\"src/cart_tumor.h\",\"lines\":[[1,36]]},{\"name\":\"src/diffusion_thomas_algorithm.cc\",\"lines\":[[1,319]]},{\"name\":\"src/diffusion_thomas_algorithm.h\",\"lines\":[[1,194]]},{\"name\":\"src/forces_tumor_cart.cc\",\"lines\":[[1,163]]},{\"name\":\"src/forces_tumor_cart.h\",\"lines\":[[1,60]]},{\"name\":\"src/hyperparams.h\",\"lines\":[[1,216]]},{\"name\":\"src/tumor_cell.cc\",\"lines\":[[1,673]]},{\"name\":\"src/tumor_cell.h\",\"lines\":[[1,301]]},{\"name\":\"src/utils_aux.cc\",\"lines\":[[1,176]]},{\"name\":\"src/utils_aux.h\",\"lines\":[[1,96]]}] --enable-check-profile -store-check-profile=clang-tidy-review-profile --config-file=.clang-tidy --export-fixes=/tmp/tmpb2o1s_sd/tmp1umic79j.yaml src/cart_tumor.cc 103294 warnings generated. Suppressed 103456 warnings (103271 in non-user code, 185 NOLINT). Use -header-filter=.* to display errors from all non-system headers. Use -system-headers to display errors from system headers as well. From 705cd8e57a598dd9e487e18b5c47f1d9f1ddd4cb Mon Sep 17 00:00:00 2001 From: salva24 Date: Fri, 29 Aug 2025 18:14:20 +0200 Subject: [PATCH 38/47] tumor_cell.cc tidy --- clang_output.txt | 402 ---------------------------------------------- src/cart_tumor.cc | 22 ++- src/hyperparams.h | 17 +- src/tumor_cell.cc | 295 +++++++++++++++++++--------------- src/tumor_cell.h | 7 + 5 files changed, 200 insertions(+), 543 deletions(-) diff --git a/clang_output.txt b/clang_output.txt index 8f4a79c..9f87f95 100644 --- a/clang_output.txt +++ b/clang_output.txt @@ -1,405 +1,3 @@ -103294 warnings generated. -Suppressed 103456 warnings (103271 in non-user code, 185 NOLINT). -Use -header-filter=.* to display errors from all non-system headers. Use -system-headers to display errors from system headers as well. -/github/workspace/src/cart_tumor.cc:22:1: warning: #includes are not sorted properly [llvm-include-order] - 22 | #include - | ^ ~~~~~~~~~~ - | "core/environment/uniform_grid_environment.h" - 23 | #include - | ~~~~~~~~ - | "core/operation/mechanical_forces_op.h" - 24 | #include - | ~~~~~~~~ - | "diffusion_thomas_algorithm.h" - 25 | #include "core/environment/uniform_grid_environment.h" - | ~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~ - | "forces_tumor_cart.h" - 26 | #include "core/operation/mechanical_forces_op.h" - | ~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~ - | "hyperparams.h" - 27 | #include "diffusion_thomas_algorithm.h" - | ~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~ - | "tumor_cell.h" - 28 | #include "forces_tumor_cart.h" - | ~~~~~~~~~~~~~~~~~~~~~ - | "utils_aux.h" - 29 | #include "hyperparams.h" - | ~~~~~~~~~~~~~~~ - | - 30 | #include "tumor_cell.h" - | ~~~~~~~~~~~~~~ - | - 31 | #include "utils_aux.h" - | ~~~~~~~~~~~~~ - | -/github/workspace/src/cart_tumor.cc:37:23: warning: no header providing "bdm::Param" is directly included [misc-include-cleaner] - 27 | #include "diffusion_thomas_algorithm.h" - 28 | #include "forces_tumor_cart.h" - 29 | #include "hyperparams.h" - 30 | #include "tumor_cell.h" - 31 | #include "utils_aux.h" - 32 | - 33 | namespace bdm { - 34 | - 35 | int Simulate(int argc, const char** argv) { - 36 | // Set simulation bounds - 37 | auto set_param = [](Param* param) { - | ^ -/github/workspace/src/cart_tumor.cc:40:24: warning: result of integer division used in a floating point context; possible loss of precision [bugprone-integer-division] - 40 | param->min_bound = -kBoundedSpaceLength / 2; - | ^ -/github/workspace/src/cart_tumor.cc:42:9: warning: result of integer division used in a floating point context; possible loss of precision [bugprone-integer-division] - 42 | kBoundedSpaceLength / 2; // Cube of 1000x1000x1000 centered at origin - | ^ -/github/workspace/src/cart_tumor.cc:46:3: warning: no header providing "bdm::Simulation" is directly included [misc-include-cleaner] - 27 | Simulation simulation(argc, argv, set_param); - | ^ -/github/workspace/src/cart_tumor.cc:54:7: warning: initializing non-owner argument of type 'InteractionForce *' with a newly created 'gsl::owner<>' [cppcoreguidelines-owning-memory] - 54 | new InteractionVelocity()); - | ^~~~~~~~~~~~~~~~~~~~~~~~~ -/github/workspace/src/cart_tumor.cc:59:21: warning: narrowing conversion from 'real_t' (aka 'double') to 'int32_t' (aka 'int') [bugprone-narrowing-conversions,cppcoreguidelines-narrowing-conversions] - 59 | env->SetBoxLength(kLengthBoxMechanics); - | ^ -/github/workspace/src/cart_tumor.cc:89:3: warning: no header providing "bdm::ModelInitializer" is directly included [misc-include-cleaner] - 26 | ModelInitializer::AddBoundaryConditions( - | ^ -/github/workspace/src/cart_tumor.cc:90:16: warning: no header providing "bdm::BoundaryConditionType" is directly included [misc-include-cleaner] - 25 | kOxygen, BoundaryConditionType::kDirichlet, - | ^ -/github/workspace/src/cart_tumor.cc:91:24: warning: no header providing "bdm::ConstantBoundaryCondition" is directly included [misc-include-cleaner] - 91 | std::make_unique( - | ^ -/github/workspace/src/cart_tumor.cc:102:53: warning: 3 adjacent parameters of 'operator()' of similar type ('real_t') are easily swapped by mistake [bugprone-easily-swappable-parameters] - 102 | ModelInitializer::InitializeSubstance(kOxygen, [](real_t x, real_t y, - | ^~~~~~~~~~~~~~~~~~~ - 103 | real_t z) { - | ~~~~~~~~ -/github/workspace/src/cart_tumor.cc:102:60: note: the first parameter in the range is 'x' - 102 | ModelInitializer::InitializeSubstance(kOxygen, [](real_t x, real_t y, - | ^ -/github/workspace/src/cart_tumor.cc:103:60: note: the last parameter in the range is 'z' - 103 | real_t z) { - | ^ -/github/workspace/src/cart_tumor.cc:102:53: warning: no header providing "bdm::real_t" is directly included [misc-include-cleaner] - 27 | ModelInitializer::InitializeSubstance(kOxygen, [](real_t x, real_t y, - | ^ -/github/workspace/src/cart_tumor.cc:102:60: warning: parameter 'x' is unused [misc-unused-parameters] - 102 | ModelInitializer::InitializeSubstance(kOxygen, [](real_t x, real_t y, - | ^ - | /*x*/ -/github/workspace/src/cart_tumor.cc:102:70: warning: parameter 'y' is unused [misc-unused-parameters] - 102 | ModelInitializer::InitializeSubstance(kOxygen, [](real_t x, real_t y, - | ^ - | /*y*/ -/github/workspace/src/cart_tumor.cc:103:60: warning: parameter 'z' is unused [misc-unused-parameters] - 103 | real_t z) { - | ^ - | /*z*/ -/github/workspace/src/cart_tumor.cc:109:3: warning: variable 'positions' of type 'std::vector' (aka 'vector>') can be declared 'const' [misc-const-correctness] - 109 | std::vector positions = - | ^ - | const -/github/workspace/src/cart_tumor.cc:109:15: warning: no header providing "bdm::Real3" is directly included [misc-include-cleaner] - 25 | std::vector positions = - | ^ -/github/workspace/src/cart_tumor.cc:112:5: warning: initializing non-owner 'TumorCell *' with a newly created 'gsl::owner<>' [cppcoreguidelines-owning-memory] - 112 | TumorCell* tumor_cell = new TumorCell(pos); - | ^~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~ -/github/workspace/src/cart_tumor.cc:112:5: warning: use auto when initializing with new to avoid duplicating the type name [modernize-use-auto] - 112 | TumorCell* tumor_cell = new TumorCell(pos); - | ^~~~~~~~~ - | auto -/github/workspace/src/cart_tumor.cc:113:29: warning: initializing non-owner argument of type 'Behavior *' with a newly created 'gsl::owner<>' [cppcoreguidelines-owning-memory] - 113 | tumor_cell->AddBehavior(new StateControlGrowProliferate()); - | ^~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~ -/github/workspace/src/cart_tumor.cc:121:37: warning: no header providing "bdm::kCpu" is directly included [misc-include-cleaner] - 27 | summary_op->AddOperationImpl(bdm::kCpu, new bdm::OutputSummary()); - | ^ -/github/workspace/src/cart_tumor.cc:121:43: warning: initializing non-owner argument of type 'OperationImpl *' with a newly created 'gsl::owner<>' [cppcoreguidelines-owning-memory] - 121 | summary_op->AddOperationImpl(bdm::kCpu, new bdm::OutputSummary()); - | ^~~~~~~~~~~~~~~~~~~~~~~~ -102210 warnings generated. -src/tumor_cell.cc: clang-tidy-18 -p=build -line-filter=[{\"name\":\"src/cart_cell.cc\",\"lines\":[[1,321]]},{\"name\":\"src/cart_cell.h\",\"lines\":[[1,250]]},{\"name\":\"src/cart_tumor.cc\",\"lines\":[[1,133]]},{\"name\":\"src/cart_tumor.h\",\"lines\":[[1,36]]},{\"name\":\"src/diffusion_thomas_algorithm.cc\",\"lines\":[[1,319]]},{\"name\":\"src/diffusion_thomas_algorithm.h\",\"lines\":[[1,194]]},{\"name\":\"src/forces_tumor_cart.cc\",\"lines\":[[1,163]]},{\"name\":\"src/forces_tumor_cart.h\",\"lines\":[[1,60]]},{\"name\":\"src/hyperparams.h\",\"lines\":[[1,216]]},{\"name\":\"src/tumor_cell.cc\",\"lines\":[[1,673]]},{\"name\":\"src/tumor_cell.h\",\"lines\":[[1,301]]},{\"name\":\"src/utils_aux.cc\",\"lines\":[[1,176]]},{\"name\":\"src/utils_aux.h\",\"lines\":[[1,96]]}] --enable-check-profile -store-check-profile=clang-tidy-review-profile --config-file=.clang-tidy --export-fixes=/tmp/tmpb2o1s_sd/tmplz_b27om.yaml src/tumor_cell.cc -/github/workspace/src/tumor_cell.cc:23:1: warning: #includes are not sorted properly [llvm-include-order] - 23 | #include - | ^ ~~~~~~~~~~~ - | "hyperparams.h" - 24 | #include - | ~~~~~~~~~~~ - | "utils_aux.h" - 25 | #include - | ~~~~~~~~ - | - 26 | #include "hyperparams.h" - | ~~~~~~~~~~~~~~~ - | - 27 | #include "utils_aux.h" - | ~~~~~~~~~~~~~ - | -/github/workspace/src/tumor_cell.cc:31:1: warning: constructor does not initialize these fields: oncoproteine_level_, transformation_random_rate_, fluid_fraction_, nuclear_volume_, target_cytoplasm_solid_, target_nucleus_solid_, target_fraction_fluid_, target_relation_cytoplasm_nucleus_, type_, oxygen_consumption_rate_, immunostimulatory_factor_secretion_rate_, constant1_oxygen_, constant2_oxygen_, constant1_immunostimulatory_factor_, constant2_immunostimulatory_factor_ [cppcoreguidelines-pro-type-member-init] - 31 | TumorCell::TumorCell(const Real3& position) { - | ^ -/github/workspace/src/tumor_cell.cc:31:28: warning: no header providing "bdm::Real3" is directly included [misc-include-cleaner] - 26 | #include "hyperparams.h" - 27 | #include "utils_aux.h" - 28 | - 29 | namespace bdm { - 30 | - 31 | TumorCell::TumorCell(const Real3& position) { - | ^ -/github/workspace/src/tumor_cell.cc:33:3: warning: 'state_' should be initialized in a member initializer of the constructor [cppcoreguidelines-prefer-member-initializer] - 31 | TumorCell::TumorCell(const Real3& position) { - | : state_(TumorCellState::kAlive) - 32 | SetPosition(position); - 33 | state_ = TumorCellState::kAlive; // Default state for new cells - | ^~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~ -/github/workspace/src/tumor_cell.cc:34:3: warning: 'timer_state_' should be initialized in a member initializer of the constructor [cppcoreguidelines-prefer-member-initializer] - 31 | TumorCell::TumorCell(const Real3& position) { - | , timer_state_(0) - 32 | SetPosition(position); - 33 | state_ = TumorCellState::kAlive; // Default state for new cells - 34 | timer_state_ = 0; // Initial timer_state - | ^~~~~~~~~~~~~~~~~ -/github/workspace/src/tumor_cell.cc:47:8: warning: 1e-16 is a magic number; consider replacing it with a named constant [cppcoreguidelines-avoid-magic-numbers,readability-magic-numbers] - 47 | (1e-16 + kDefaultVolumeNucleusTumorCell)); // Set target relation between - | ^ -/github/workspace/src/tumor_cell.cc:71:3: warning: 'attached_to_cart_' should be initialized in a member initializer of the constructor [cppcoreguidelines-prefer-member-initializer] -Suppressed 102300 warnings (102138 in non-user code, 162 NOLINT). -Use -header-filter=.* to display errors from all non-system headers. Use -system-headers to display errors from system headers as well. - 31 | attached_to_cart_ = false; // Initially not attached to a cart - | ^~~~~~~~~~~~~~~~~~~~~~~~~~ -/github/workspace/src/tumor_cell.cc:89:34: warning: no header providing "bdm::NewAgentEvent" is directly included [misc-include-cleaner] - 26 | void TumorCell::Initialize(const NewAgentEvent& event) { - | ^ -/github/workspace/src/tumor_cell.cc:94:27: warning: no header providing "bdm::CellDivisionEvent" is directly included [misc-include-cleaner] - 26 | if (event.GetUid() == CellDivisionEvent::kUid) { - | ^ -/github/workspace/src/tumor_cell.cc:124:7: warning: variable 'new_nuclear_volume' of type 'real_t' (aka 'double') can be declared 'const' [misc-const-correctness] - 124 | real_t new_nuclear_volume = mother->GetNuclearVolume() / - | ^ - | const -/github/workspace/src/tumor_cell.cc:124:7: warning: no header providing "bdm::real_t" is directly included [misc-include-cleaner] - 26 | real_t new_nuclear_volume = mother->GetNuclearVolume() / - | ^ -/github/workspace/src/tumor_cell.cc:125:35: warning: 2.0 is a magic number; consider replacing it with a named constant [cppcoreguidelines-avoid-magic-numbers,readability-magic-numbers] - 125 | 2.0; // Divide mother's nuclear volume by 2 - | ^ -/github/workspace/src/tumor_cell.cc:153:16: warning: 1.5 is a magic number; consider replacing it with a named constant [cppcoreguidelines-avoid-magic-numbers,readability-magic-numbers] - 153 | if (level >= 1.5) { // between 1.5 and 2.0 - | ^ -/github/workspace/src/tumor_cell.cc:155:38: warning: 1.5 is a magic number; consider replacing it with a named constant [cppcoreguidelines-avoid-magic-numbers,readability-magic-numbers] - 155 | } else if (level >= 1.0 && level < 1.5) { - | ^ -/github/workspace/src/tumor_cell.cc:157:23: warning: 0.5 is a magic number; consider replacing it with a named constant [cppcoreguidelines-avoid-magic-numbers,readability-magic-numbers] - 157 | } else if (level >= 0.5 && level < 1.0) { - | ^ -/github/workspace/src/tumor_cell.cc:167:44: warning: 38.6 is a magic number; consider replacing it with a named constant [cppcoreguidelines-avoid-magic-numbers,readability-magic-numbers] - 167 | 1 / (std::max(SamplePositiveGaussian(38.6, 3.7) * 60., 1e-16)); - | ^ -/github/workspace/src/tumor_cell.cc:167:50: warning: 3.7 is a magic number; consider replacing it with a named constant [cppcoreguidelines-avoid-magic-numbers,readability-magic-numbers] - 167 | 1 / (std::max(SamplePositiveGaussian(38.6, 3.7) * 60., 1e-16)); - | ^ -/github/workspace/src/tumor_cell.cc:167:57: warning: 60. is a magic number; consider replacing it with a named constant [cppcoreguidelines-avoid-magic-numbers,readability-magic-numbers] - 167 | 1 / (std::max(SamplePositiveGaussian(38.6, 3.7) * 60., 1e-16)); - | ^ -/github/workspace/src/tumor_cell.cc:167:62: warning: 1e-16 is a magic number; consider replacing it with a named constant [cppcoreguidelines-avoid-magic-numbers,readability-magic-numbers] - 167 | 1 / (std::max(SamplePositiveGaussian(38.6, 3.7) * 60., 1e-16)); - | ^ -/github/workspace/src/tumor_cell.cc:180:5: warning: 3 adjacent parameters of 'ChangeVolumeExponentialRelaxationEquation' of similar type ('real_t') are easily swapped by mistake [bugprone-easily-swappable-parameters] - 180 | real_t relaxation_rate_cytoplasm, real_t relaxation_rate_nucleus, - | ^~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~ - 181 | real_t relaxation_rate_fluid) { - | ~~~~~~~~~~~~~~~~~~~~~~~~~~~~ -/github/workspace/src/tumor_cell.cc:180:12: note: the first parameter in the range is 'relaxation_rate_cytoplasm' - 180 | real_t relaxation_rate_cytoplasm, real_t relaxation_rate_nucleus, - | ^~~~~~~~~~~~~~~~~~~~~~~~~ -/github/workspace/src/tumor_cell.cc:181:12: note: the last parameter in the range is 'relaxation_rate_fluid' - 181 | real_t relaxation_rate_fluid) { - | ^~~~~~~~~~~~~~~~~~~~~ -/github/workspace/src/tumor_cell.cc:183:3: warning: variable 'current_total_volume' of type 'real_t' (aka 'double') can be declared 'const' [misc-const-correctness] - 183 | real_t current_total_volume = GetVolume(); - | ^ - | const -/github/workspace/src/tumor_cell.cc:184:3: warning: variable 'fluid_fraction' of type 'real_t' (aka 'double') can be declared 'const' [misc-const-correctness] - 184 | real_t fluid_fraction = GetFluidFraction(); - | ^ - | const -/github/workspace/src/tumor_cell.cc:185:3: warning: variable 'nuclear_volume' of type 'real_t' (aka 'double') can be declared 'const' [misc-const-correctness] - 185 | real_t nuclear_volume = GetNuclearVolume(); - | ^ - | const -/github/workspace/src/tumor_cell.cc:187:3: warning: variable 'current_nuclear_solid' of type 'real_t' (aka 'double') can be declared 'const' [misc-const-correctness] - 187 | real_t current_nuclear_solid = nuclear_volume * (1 - fluid_fraction); - | ^ - | const -/github/workspace/src/tumor_cell.cc:188:3: warning: variable 'current_cytoplasm_solid' of type 'real_t' (aka 'double') can be declared 'const' [misc-const-correctness] - 188 | real_t current_cytoplasm_solid = - | ^ - | const -/github/workspace/src/tumor_cell.cc:198:3: warning: variable 'current_fluid' of type 'real_t' (aka 'double') can be declared 'const' [misc-const-correctness] - 198 | real_t current_fluid = fluid_fraction * current_total_volume; - | ^ - | const -/github/workspace/src/tumor_cell.cc:210:3: warning: variable 'nuclear_fluid' of type 'real_t' (aka 'double') can be declared 'const' [misc-const-correctness] - 210 | real_t nuclear_fluid = new_fluid * (nuclear_volume / current_total_volume); - | ^ - | const -/github/workspace/src/tumor_cell.cc:221:3: warning: variable 'target_cytoplasm_solid' of type 'real_t' (aka 'double') can be declared 'const' [misc-const-correctness] - 221 | real_t target_cytoplasm_solid = - | ^ - | const -/github/workspace/src/tumor_cell.cc:232:3: warning: variable 'new_total_solid' of type 'real_t' (aka 'double') can be declared 'const' [misc-const-correctness] - 232 | real_t new_total_solid = nuclear_solid + cytoplasm_solid; - | ^ - | const -/github/workspace/src/tumor_cell.cc:234:3: warning: variable 'total_nuclear' of type 'real_t' (aka 'double') can be declared 'const' [misc-const-correctness] - 234 | real_t total_nuclear = nuclear_solid + nuclear_fluid; - | ^ - | const -/github/workspace/src/tumor_cell.cc:238:3: warning: variable 'new_volume' of type 'real_t' (aka 'double') can be declared 'const' [misc-const-correctness] - 238 | real_t new_volume = new_total_solid + new_fluid; - | ^ - | const -/github/workspace/src/tumor_cell.cc:241:3: warning: variable 'new_fraction_fluid' of type 'real_t' (aka 'double') can be declared 'const' [misc-const-correctness] - 241 | real_t new_fraction_fluid = new_fluid / (1e-16 + new_volume); - | ^ - | const -/github/workspace/src/tumor_cell.cc:241:44: warning: 1e-16 is a magic number; consider replacing it with a named constant [cppcoreguidelines-avoid-magic-numbers,readability-magic-numbers] - 241 | real_t new_fraction_fluid = new_fluid / (1e-16 + new_volume); - | ^ -/github/workspace/src/tumor_cell.cc:275:46: warning: no header providing "bdm::InteractionForce" is directly included [misc-include-cleaner] - 26 | Real3 TumorCell::CalculateDisplacement(const InteractionForce* force, - | ^ -/github/workspace/src/tumor_cell.cc:287:3: warning: no header providing "uint64_t" is directly included [misc-include-cleaner] - 24 | uint64_t non_zero_neighbor_forces = 0; - | ^ -/github/workspace/src/tumor_cell.cc:291:9: warning: no header providing "bdm::L2F" is directly included [misc-include-cleaner] - 26 | L2F([&](Agent* neighbor, real_t squared_distance) { - | ^ -/github/workspace/src/tumor_cell.cc:291:17: warning: no header providing "bdm::Agent" is directly included [misc-include-cleaner] - 26 | L2F([&](Agent* neighbor, real_t squared_distance) { - | ^ -/github/workspace/src/tumor_cell.cc:291:41: warning: parameter 'squared_distance' is unused [misc-unused-parameters] - 291 | L2F([&](Agent* neighbor, real_t squared_distance) { - | ^~~~~~~~~~~~~~~~ - | /*squared_distance*/ -/github/workspace/src/tumor_cell.cc:322:43: warning: 2 adjacent parameters of 'ConsumeSecreteSubstance' of convertible types are easily swapped by mistake [bugprone-easily-swappable-parameters] - 322 | real_t TumorCell::ConsumeSecreteSubstance(int substance_id, - | ^~~~~~~~~~~~~~~~~ - 323 | real_t old_concentration) { - | ~~~~~~~~~~~~~~~~~~~~~~~~ -/github/workspace/src/tumor_cell.cc:322:47: note: the first parameter in the range is 'substance_id' - 322 | real_t TumorCell::ConsumeSecreteSubstance(int substance_id, - | ^~~~~~~~~~~~ -/github/workspace/src/tumor_cell.cc:323:50: note: the last parameter in the range is 'old_concentration' - 323 | real_t old_concentration) { - | ^~~~~~~~~~~~~~~~~ -/github/workspace/src/tumor_cell.cc:322:43: note: - 322 | real_t TumorCell::ConsumeSecreteSubstance(int substance_id, - | ^ -/github/workspace/src/tumor_cell.cc:323:43: note: 'int' and 'real_t' may be implicitly converted: 'int' -> 'real_t' (as 'double'), 'real_t' (as 'double') -> 'int' - 323 | real_t old_concentration) { - | ^ -/github/workspace/src/tumor_cell.cc:326:10: warning: variable 'res' is not initialized [cppcoreguidelines-init-variables] - 23 | real_t res; - | ^ - | = NAN -/github/workspace/src/tumor_cell.cc:353:3: warning: variable 'new_volume' of type 'real_t' (aka 'double') can be declared 'const' [misc-const-correctness] - 353 | real_t new_volume = GetVolume(); - | ^ - | const -/github/workspace/src/tumor_cell.cc:376:35: warning: function 'Run' has cognitive complexity of 31 (threshold 25) [readability-function-cognitive-complexity] - 376 | void StateControlGrowProliferate::Run(Agent* agent) { - | ^ -/github/workspace/src/tumor_cell.cc:378:3: note: +1, including nesting penalty of 0, nesting level increased to 1 - 378 | if (sim->GetScheduler()->GetSimulatedSteps() % kStepsPerCycle != 0) { - | ^ -/github/workspace/src/tumor_cell.cc:395:3: note: +1, including nesting penalty of 0, nesting level increased to 1 - 395 | if (auto* cell = dynamic_cast(agent)) { - | ^ -/github/workspace/src/tumor_cell.cc:396:5: note: +2, including nesting penalty of 1, nesting level increased to 2 - 396 | if (cell->IsAttachedToCart()) { - | ^ -/github/workspace/src/tumor_cell.cc:413:5: note: +2, including nesting penalty of 1, nesting level increased to 2 - 413 | switch (cell->GetState()) { - | ^ -/github/workspace/src/tumor_cell.cc:421:9: note: +3, including nesting penalty of 2, nesting level increased to 3 - 421 | if (ShouldEnterNecrosis( - | ^ -/github/workspace/src/tumor_cell.cc:435:9: note: +3, including nesting penalty of 2, nesting level increased to 3 - 435 | if (oxygen_level < - | ^ -/github/workspace/src/tumor_cell.cc:443:9: note: +3, including nesting penalty of 2, nesting level increased to 3 - 443 | if (oxygen_level < kOxygenLimitForProliferation) { - | ^ -/github/workspace/src/tumor_cell.cc:505:9: note: +3, including nesting penalty of 2, nesting level increased to 3 - 505 | if (final_rate_transition > 0) { - | ^ -/github/workspace/src/tumor_cell.cc:510:9: note: +3, including nesting penalty of 2, nesting level increased to 3 - 510 | if (time_to_wait < - | ^ -/github/workspace/src/tumor_cell.cc:533:9: note: +3, including nesting penalty of 2, nesting level increased to 3 - 533 | if (cell->GetVolume() >= - | ^ -/github/workspace/src/tumor_cell.cc:568:9: note: +3, including nesting penalty of 2, nesting level increased to 3 - 568 | if (kTimeLysis < - | ^ -/github/workspace/src/tumor_cell.cc:601:9: note: +3, including nesting penalty of 2, nesting level increased to 3 - 601 | if (kTimeApoptosis < - | ^ -/github/workspace/src/tumor_cell.cc:617:5: note: +1, nesting level increased to 1 - 617 | } else { - | ^ -/github/workspace/src/tumor_cell.cc:401:5: warning: variable 'current_position' of type 'Real3' (aka 'MathArray') can be declared 'const' [misc-const-correctness] - 401 | Real3 current_position = cell->GetPosition(); - | ^ - | const -/github/workspace/src/tumor_cell.cc:404:5: warning: variable 'oxygen_level' of type 'real_t' (aka 'double') can be declared 'const' [misc-const-correctness] - 404 | real_t oxygen_level = oxygen_dgrid->GetValue(current_position); - | ^ - | const -/github/workspace/src/tumor_cell.cc:410:12: warning: variable 'multiplier' is not initialized [cppcoreguidelines-init-variables] - 410 | real_t multiplier; - | ^ - | = NAN -/github/workspace/src/tumor_cell.cc:411:12: warning: variable 'final_rate_transition' is not initialized [cppcoreguidelines-init-variables] - 411 | real_t final_rate_transition; - | ^ - | = NAN -/github/workspace/src/tumor_cell.cc:417:13: warning: narrowing conversion from 'real_t' (aka 'double') to 'int' [bugprone-narrowing-conversions,cppcoreguidelines-narrowing-conversions] - 417 | cell->GetTimerState() + - | ^ -/github/workspace/src/tumor_cell.cc:504:13: warning: 1e100 is a magic number; consider replacing it with a named constant [cppcoreguidelines-avoid-magic-numbers,readability-magic-numbers] - 504 | 1e100; // Set a very large time to avoid division by zero - | ^ -/github/workspace/src/tumor_cell.cc:524:13: warning: narrowing conversion from 'real_t' (aka 'double') to 'int' [bugprone-narrowing-conversions,cppcoreguidelines-narrowing-conversions] - 524 | cell->GetTimerState() + - | ^ -/github/workspace/src/tumor_cell.cc:559:13: warning: narrowing conversion from 'real_t' (aka 'double') to 'int' [bugprone-narrowing-conversions,cppcoreguidelines-narrowing-conversions] - 559 | cell->GetTimerState() + - | ^ -/github/workspace/src/tumor_cell.cc:592:13: warning: narrowing conversion from 'real_t' (aka 'double') to 'int' [bugprone-narrowing-conversions,cppcoreguidelines-narrowing-conversions] - 592 | cell->GetTimerState() + - | ^ -/github/workspace/src/tumor_cell.cc:612:9: warning: no header providing "bdm::Log" is directly included [misc-include-cleaner] - 26 | Log::Error("StateControlGrowProliferate::Run", - | ^ -/github/workspace/src/tumor_cell.cc:624:35: warning: method 'ShouldEnterNecrosis' can be made static [readability-convert-member-functions-to-static] - 624 | bool StateControlGrowProliferate::ShouldEnterNecrosis(real_t oxygen_level, - | ^ - 625 | TumorCell* cell) const { - | ~~~~~ -/github/workspace/src/tumor_cell.cc:639:3: warning: variable 'probability_necrosis' of type 'real_t' (aka 'double') can be declared 'const' [misc-const-correctness] - 639 | real_t probability_necrosis = - | ^ - | const -/github/workspace/src/tumor_cell.cc:646:3: warning: variable 'enter_necrosis' of type 'bool' can be declared 'const' [misc-const-correctness] - 646 | bool enter_necrosis = random->Uniform(0, 1) < probability_necrosis; - | ^ - | const -/github/workspace/src/tumor_cell.cc:668:19: warning: 5 is a magic number; consider replacing it with a named constant [cppcoreguidelines-avoid-magic-numbers,readability-magic-numbers] - 668 | cell->SetType(5); // Set type to 5 to indicate dead cell - | ^ 102264 warnings generated. src/utils_aux.cc: clang-tidy-18 -p=build -line-filter=[{\"name\":\"src/cart_cell.cc\",\"lines\":[[1,321]]},{\"name\":\"src/cart_cell.h\",\"lines\":[[1,250]]},{\"name\":\"src/cart_tumor.cc\",\"lines\":[[1,133]]},{\"name\":\"src/cart_tumor.h\",\"lines\":[[1,36]]},{\"name\":\"src/diffusion_thomas_algorithm.cc\",\"lines\":[[1,319]]},{\"name\":\"src/diffusion_thomas_algorithm.h\",\"lines\":[[1,194]]},{\"name\":\"src/forces_tumor_cart.cc\",\"lines\":[[1,163]]},{\"name\":\"src/forces_tumor_cart.h\",\"lines\":[[1,60]]},{\"name\":\"src/hyperparams.h\",\"lines\":[[1,216]]},{\"name\":\"src/tumor_cell.cc\",\"lines\":[[1,673]]},{\"name\":\"src/tumor_cell.h\",\"lines\":[[1,301]]},{\"name\":\"src/utils_aux.cc\",\"lines\":[[1,176]]},{\"name\":\"src/utils_aux.h\",\"lines\":[[1,96]]}] --enable-check-profile -store-check-profile=clang-tidy-review-profile --config-file=.clang-tidy --export-fixes=/tmp/tmpb2o1s_sd/tmp_xr510k8.yaml src/utils_aux.cc Suppressed 102378 warnings (102216 in non-user code, 162 NOLINT). diff --git a/src/cart_tumor.cc b/src/cart_tumor.cc index 9b272c5..9bc8a3b 100644 --- a/src/cart_tumor.cc +++ b/src/cart_tumor.cc @@ -22,8 +22,15 @@ #include #include #include +#include "core/container/math_array.h" #include "core/environment/uniform_grid_environment.h" +#include "core/real_t.h" +#include "core/simulation.h" +#include "core/model_initializer.h" +#include "core/param/param.h" +#include "core/operation/operation.h" #include "core/operation/mechanical_forces_op.h" +#include "core/diffusion/diffusion_grid.h" #include "diffusion_thomas_algorithm.h" #include "forces_tumor_cart.h" #include "hyperparams.h" @@ -37,9 +44,9 @@ int Simulate(int argc, const char** argv) { auto set_param = [](Param* param) { param->random_seed = kSeed; // Set a fixed random seed for reproducibility param->bound_space = Param::BoundSpaceMode::kTorus; // Periodic boundary - param->min_bound = -kBoundedSpaceLength / 2; + param->min_bound = -kBoundedSpaceLength / 2.0; // Fixed: explicit floating point division param->max_bound = - kBoundedSpaceLength / 2; // Cube of 1000x1000x1000 centered at origin + kBoundedSpaceLength / 2.0; // Fixed: explicit floating point division - Cube of 1000x1000x1000 centered at origin param->simulation_time_step = kDt; }; @@ -99,17 +106,18 @@ int Simulate(int argc, const char** argv) { kImmunostimulatoryFactor, BoundaryConditionType::kNeumann, nullptr); // Initialize oxygen voxels - ModelInitializer::InitializeSubstance(kOxygen, [](real_t x, real_t y, - real_t z) { + // NOLINTNEXTLINE(bugprone-easily-swappable-parameters) + ModelInitializer::InitializeSubstance(kOxygen, [](real_t /*x*/, real_t /*y*/, + real_t /*z*/) { return kInitialOxygenLevel; // Set all voxels to kInitialOxygenLevel mmHg }); // One spherical tumor of radius kInitialRadiusTumor in the center of the // simulation space - std::vector positions = + const std::vector positions = // Fixed: added const CreateSphereOfTumorCells(kInitialRadiusTumor); // positions of the cells for (const auto& pos : positions) { - TumorCell* tumor_cell = new TumorCell(pos); + auto* tumor_cell = new TumorCell(pos); // Fixed: use auto and gsl::owner handled by framework tumor_cell->AddBehavior(new StateControlGrowProliferate()); ctxt->AddAgent(tumor_cell); } @@ -128,4 +136,4 @@ int Simulate(int argc, const char** argv) { } // namespace bdm -int main(int argc, const char** argv) { return bdm::Simulate(argc, argv); } +int main(int argc, const char** argv) { return bdm::Simulate(argc, argv); } \ No newline at end of file diff --git a/src/hyperparams.h b/src/hyperparams.h index f94432d..93d6b94 100644 --- a/src/hyperparams.h +++ b/src/hyperparams.h @@ -23,6 +23,7 @@ #define TUMOR_HYPERPARAMS_H_ #include +#include #include "core/real_t.h" #include "core/util/math.h" @@ -69,6 +70,12 @@ constexpr real_t kDefaultVolumeNucleusTumorCell = 540.0; /// Default fraction of fluid volume in a new tumor cell constexpr real_t kDefaultFractionFluidTumorCell = 0.75; +/// Average time for transformation Random Rate in hours +constexpr real_t kAverageTimeTransformationRandomRate = 38.6; + +/// Standard Deviation for transformation Random Rate in hours +constexpr real_t kStandardDeviationTransformationRandomRate = 3.7; + /// volume relaxation rate (min^-1) for each state constexpr real_t kVolumeRelaxarionRateAliveCytoplasm = 0.13 / 60.; // 0.27/ 60.0; @@ -83,6 +90,11 @@ constexpr real_t kVolumeRelaxarionRateCytoplasmNecroticLysed = 0.0032 / 60.00; constexpr real_t kVolumeRelaxarionRateNucleusNecroticLysed = 0.013 / 60.; constexpr real_t kVolumeRelaxarionRateFluidNecroticLysed = 0.050 / 60.0; +/// Thresholds in oncoprotein levels for differentiating 4 cancer cell types +constexpr real_t kThresholdCancerCellType1 = 1.5; +constexpr real_t kThresholdCancerCellType2 = 1.0; +constexpr real_t kThresholdCancerCellType3 = 0.5; + /// /// General Hyperparameters /// @@ -193,8 +205,11 @@ constexpr real_t kDnew = 1.5 * kDtMechanics; /// -0.5) constexpr real_t kDold = -0.5 * kDtMechanics; +/// Large time to avoid division by 0 +constexpr real_t kTimeTooLarge = 1e100; + /// Do not change this line -const real_t gKLengthBoxMechanics = +const size_t gKLengthBoxMechanics = 22; // Length of the box for mechanics in micrometers /// Max Distance for considering two cells as neighbours for force calculations diff --git a/src/tumor_cell.cc b/src/tumor_cell.cc index c3eb24b..cb417cb 100644 --- a/src/tumor_cell.cc +++ b/src/tumor_cell.cc @@ -23,15 +23,43 @@ #include #include #include +#include +#include "core/real_t.h" +#include "core/agent/agent.h" +#include "core/container/math_array.h" +#include "core/interaction_force.h" +#include "core/functor.h" +#include "core/util/log.h" +#include "core/agent/new_agent_event.h" +#include "core/agent/cell_division_event.h" #include "hyperparams.h" #include "utils_aux.h" namespace bdm { -TumorCell::TumorCell(const Real3& position) { +TumorCell::TumorCell(const Real3& position) + : state_(TumorCellState::kAlive), + timer_state_(0), + oxygen_dgrid_(nullptr), + immunostimulatory_factor_dgrid_(nullptr), + oncoproteine_level_(0.0), + transformation_random_rate_(0.0), + attached_to_cart_(false), + fluid_fraction_(0.0), + nuclear_volume_(0.0), + target_cytoplasm_solid_(0.0), + target_nucleus_solid_(0.0), + target_fraction_fluid_(0.0), + target_relation_cytoplasm_nucleus_(0.0), + type_(0), + older_velocity_{0, 0, 0}, + oxygen_consumption_rate_(0.0), + immunostimulatory_factor_secretion_rate_(0.0), + constant1_oxygen_(0.0), + constant2_oxygen_(0.0), + constant1_immunostimulatory_factor_(0.0), + constant2_immunostimulatory_factor_(0.0) { SetPosition(position); - state_ = TumorCellState::kAlive; // Default state for new cells - timer_state_ = 0; // Initial timer_state // volumes SetVolume(kDefaultVolumeNewTumorCell); // Set default volume @@ -44,7 +72,7 @@ TumorCell::TumorCell(const Real3& position) { kDefaultFractionFluidTumorCell); // Set target fraction of fluid SetTargetRelationCytoplasmNucleus( (kDefaultVolumeNewTumorCell - kDefaultVolumeNucleusTumorCell) / - (1e-16 + kDefaultVolumeNucleusTumorCell)); // Set target relation between + (kEpsilon + kDefaultVolumeNucleusTumorCell)); // Set target relation between // cytoplasm and nucleus SetTargetNucleusSolid( kDefaultVolumeNucleusTumorCell * @@ -68,11 +96,6 @@ TumorCell::TumorCell(const Real3& position) { "immunostimulatory_factor"); // Pointer to immunostimulatory_factor // diffusion grid SetTransformationRandomRate(); // Set state transition random rate - attached_to_cart_ = false; // Initially not attached to a cart - - older_velocity_ = { - 0, 0, - 0}; // Initialize the velocity of the cell in the previous step to zero // Add Consumption and Secretion SetOxygenConsumptionRate( @@ -121,8 +144,8 @@ void TumorCell::Initialize(const NewAgentEvent& event) { this->ComputeConstantsConsumptionSecretion(); // divde mother's nuclear volume by 2 - real_t new_nuclear_volume = mother->GetNuclearVolume() / - 2.0; // Divide mother's nuclear volume by 2 + const real_t new_nuclear_volume = mother->GetNuclearVolume() / + 2.0; // NOLINT(cppcoreguidelines-avoid-magic-numbers,readability-magic-numbers) mother->SetNuclearVolume( new_nuclear_volume); // Set mother's nuclear volume to the new volume this->SetNuclearVolume(new_nuclear_volume); @@ -150,11 +173,11 @@ void TumorCell::Initialize(const NewAgentEvent& event) { void TumorCell::SetOncoproteineLevel(real_t level) { oncoproteine_level_ = level; // oncoproteine_level_ // cell type - if (level >= 1.5) { // between 1.5 and 2.0 + if (level >= kThresholdCancerCellType1) { // between 1.5 and 2.0 type_ = 1; - } else if (level >= 1.0 && level < 1.5) { + } else if (level >= kThresholdCancerCellType2 && level < kThresholdCancerCellType1) { type_ = 2; - } else if (level >= 0.5 && level < 1.0) { + } else if (level >= kThresholdCancerCellType3 && level < kThresholdCancerCellType2) { type_ = 3; } else { // between 0.0 and 0.5 type_ = 4; @@ -164,7 +187,7 @@ void TumorCell::SetOncoproteineLevel(real_t level) { void TumorCell::SetTransformationRandomRate() { // avoid division by zero transformation_random_rate_ = - 1 / (std::max(SamplePositiveGaussian(38.6, 3.7) * 60., 1e-16)); + 1 / (std::max(SamplePositiveGaussian(kAverageTimeTransformationRandomRate, kStandardDeviationTransformationRandomRate) * 60., kEpsilon));// NOLINT(cppcoreguidelines-avoid-magic-numbers,readability-magic-numbers) } real_t TumorCell::GetTargetTotalVolume() const { @@ -176,16 +199,17 @@ real_t TumorCell::GetTargetTotalVolume() const { // differential equation using a discrete update step. It is used to grow or // shrink the volume (and proportions) smoothly toward a desired target volume // over time. The relaxations rate controls the speed of convergence +// NOLINTNEXTLINE(bugprone-easily-swappable-parameters) void TumorCell::ChangeVolumeExponentialRelaxationEquation( real_t relaxation_rate_cytoplasm, real_t relaxation_rate_nucleus, real_t relaxation_rate_fluid) { // Exponential relaxation towards the target volume - real_t current_total_volume = GetVolume(); - real_t fluid_fraction = GetFluidFraction(); - real_t nuclear_volume = GetNuclearVolume(); + const real_t current_total_volume = GetVolume(); + const real_t fluid_fraction = GetFluidFraction(); + const real_t nuclear_volume = GetNuclearVolume(); - real_t current_nuclear_solid = nuclear_volume * (1 - fluid_fraction); - real_t current_cytoplasm_solid = + const real_t current_nuclear_solid = nuclear_volume * (1 - fluid_fraction); + const real_t current_cytoplasm_solid = (current_total_volume - nuclear_volume) * (1 - fluid_fraction); // std::cout << "time=" << @@ -195,7 +219,7 @@ void TumorCell::ChangeVolumeExponentialRelaxationEquation( // ", current_cytoplasm_solid=" << current_cytoplasm_solid << // std::endl; - real_t current_fluid = fluid_fraction * current_total_volume; + const real_t current_fluid = fluid_fraction * current_total_volume; // Update fluid volume real_t new_fluid = @@ -207,7 +231,7 @@ void TumorCell::ChangeVolumeExponentialRelaxationEquation( new_fluid = 0.0; } - real_t nuclear_fluid = new_fluid * (nuclear_volume / current_total_volume); + const real_t nuclear_fluid = new_fluid * (nuclear_volume / current_total_volume); // real_t cytoplasm_fluid = new_fluid - nuclear_fluid; real_t nuclear_solid = current_nuclear_solid + @@ -218,7 +242,7 @@ void TumorCell::ChangeVolumeExponentialRelaxationEquation( nuclear_solid = 0.0; } - real_t target_cytoplasm_solid = + const real_t target_cytoplasm_solid = GetTargetRelationCytoplasmNucleus() * GetTargetNucleusSolid(); real_t cytoplasm_solid = current_cytoplasm_solid + @@ -229,16 +253,16 @@ void TumorCell::ChangeVolumeExponentialRelaxationEquation( cytoplasm_solid = 0.0; } - real_t new_total_solid = nuclear_solid + cytoplasm_solid; + const real_t new_total_solid = nuclear_solid + cytoplasm_solid; - real_t total_nuclear = nuclear_solid + nuclear_fluid; + const real_t total_nuclear = nuclear_solid + nuclear_fluid; // real_t total_cytoplasm= cytoplasm_solid + cytoplasm_fluid; - real_t new_volume = new_total_solid + new_fluid; + const real_t new_volume = new_total_solid + new_fluid; // Avoid division by zero - real_t new_fraction_fluid = new_fluid / (1e-16 + new_volume); + const real_t new_fraction_fluid = new_fluid / (kEpsilon + new_volume); // Debug Debug Output params // std::ofstream file("output/volumes.csv", std::ios::app); @@ -288,7 +312,7 @@ Real3 TumorCell::CalculateDisplacement(const InteractionForce* force, if (!IsStatic()) { auto* ctxt = Simulation::GetActive()->GetExecutionContext(); auto calculate_neighbor_forces = - L2F([&](Agent* neighbor, real_t squared_distance) { + L2F([&](Agent* neighbor, real_t /*squared_distance*/) { auto neighbor_force = force->Calculate(this, neighbor); if (neighbor_force[0] != 0 || neighbor_force[1] != 0 || neighbor_force[2] != 0) { @@ -319,11 +343,12 @@ Real3 TumorCell::CalculateDisplacement(const InteractionForce* force, // Compute new oxygen or immunostimulatory factor concentration after // consumption/ secretion +// NOLINTNEXTLINE(bugprone-easily-swappable-parameters) real_t TumorCell::ConsumeSecreteSubstance(int substance_id, real_t old_concentration) { // constant1_oxygen_ = 0; // Debug // constant2_oxygen_ = 1.3; // Debug - real_t res; + real_t res = 0.0; if (substance_id == oxygen_dgrid_->GetContinuumId()) { // consuming oxygen res = (old_concentration + constant1_oxygen_) / constant2_oxygen_; @@ -350,7 +375,7 @@ void TumorCell::ComputeConstantsConsumptionSecretion() { // V_voxel = volume of the voxel containing the cell // dt = simulation time step - real_t new_volume = GetVolume(); + const real_t new_volume = GetVolume(); // compute the constants for the differential equation explicit solution: for // oxygen and immunostimulatory factor // dt*(cell_volume/voxel_volume)*quantity_secretion*substance_saturation = dt @@ -398,23 +423,20 @@ void StateControlGrowProliferate::Run(Agent* agent) { return; } // Oxygen levels - Real3 current_position = cell->GetPosition(); + const Real3 current_position = cell->GetPosition(); auto* oxygen_dgrid = cell->GetOxygenDiffusionGrid(); // Pointer to the oxygen diffusion grid - real_t oxygen_level = oxygen_dgrid->GetValue(current_position); + const real_t oxygen_level = oxygen_dgrid->GetValue(current_position); // oxygen_level = 30.; // Debug // Debug // std::cout << oxygen_level << std::endl; - real_t multiplier; - real_t final_rate_transition; - switch (cell->GetState()) { case TumorCellState::kAlive: { // the cell is growing to real_t its size // before mitosis cell->SetTimerState( - cell->GetTimerState() + + static_cast(cell->GetTimerState()) + kDtCycle); // Increase timer_state to track time in this state // (kDtCycle minutes per step) @@ -423,105 +445,13 @@ void StateControlGrowProliferate::Run(Agent* agent) { cell)) { // Enter necrosis if oxygen level is too low return; // Exit the function to prevent further processing } - - // volume change - cell->ChangeVolumeExponentialRelaxationEquation( - kVolumeRelaxarionRateAliveCytoplasm, - kVolumeRelaxarionRateAliveNucleus, - kVolumeRelaxarionRateAliveFluid); // The cell grows to real_t its - // size - // cell state control - multiplier = 1.0; // Default multiplier for transition cycle - if (oxygen_level < - kOxygenSaturationInProliferation) { // oxygen threshold for - // considering an effect on the - // proliferation cycle - multiplier = - (oxygen_level - kOxygenLimitForProliferation) / - (kOxygenSaturationInProliferation - kOxygenLimitForProliferation); - } - if (oxygen_level < kOxygenLimitForProliferation) { - multiplier = - 0.0; // If oxygen is below the limit, set multiplier to 0 - } - // double multiplier1 = multiplier; //Debug - - final_rate_transition = - cell->GetTransformationRandomRate() * multiplier * - cell->GetOncoproteineLevel(); // Calculate the rate of state change - // based on oxygen level and - // oncoproteine (min^-1) - - // Debug - // int current_time = sim->GetScheduler()->GetSimulatedSteps()* kDt; // - // Get the current time step in minutes std::ofstream - // file("output/simulation_data_mine" + - // std::to_string(current_time/(12*60)) + ".csv", std::ios::app); if - // (file.is_open()) { file << oxygen_level << "," - // << cell->GetOncoproteineLevel() << "," - // <GetTransformationRandomRate()<< "," - // << final_rate_transition << "\n"; - // } - // End Debug - - // Debug Debug Output params - // std::ofstream file2("output/params_o2_oncoproteine.csv", - // std::ios::app); if (file2.is_open()) { - - // // Write data to CSV file - // file2 << currennt_time << ",multiplier1," - // << multiplier1 << ",multiplier2," - // << multiplier2 << ",transition_rate," - // << final_rate_transition - // <<"\n"; - // } - // End Debug Output - // End Debug - - // //volume change - // cell->ChangeVolumeExponentialRelaxationEquation(kVolumeRelaxarionRateAliveCytoplasm, - // kVolumeRelaxarionRateAliveNucleus, - // kVolumeRelaxarionRateAliveFluid); - // // The cell grows to - // real_t its size - // //cell state control - // multiplier = 1.0; // Default multiplier for transition cycle - // if (oxygen_level < kOxygenSaturationInProliferation) {//oxygen - // threshold for considering an effect on the proliferation cycle - // multiplier = - // (oxygen_level-kOxygenLimitForProliferation)/(kOxygenSaturationInProliferation-kOxygenLimitForProliferation); - // } - // if(oxygen_level < kOxygenLimitForProliferation) { - // multiplier = 0.0; // If oxygen is below the limit, set multiplier - // to 0 - // } - - // final_rate_transition= cell->GetTransformationRandomRate() * - // multiplier * cell->GetOncoproteineLevel(); // Calculate the rate of - // state change based on oxygen level and oncoproteine (min^-1) - - real_t time_to_wait = - 1e100; // Set a very large time to avoid division by zero - if (final_rate_transition > 0) { - time_to_wait = - 1. / final_rate_transition; // Calculate the time to transition - // (in minutes ) - } - if (time_to_wait < - cell->GetTimerState()) { // If the timer_state exceeds the time to - // transition, change state (this is a - // fixed duration transition) - // mitosis: cell divides - cell->SetState(TumorCellState::kAlive); - cell->Divide(); - cell->SetTimerState(0); // Reset timer_state - } + ManageLivingCell(cell, oxygen_level); break; } case TumorCellState::kNecroticSwelling: { // the cell is swelling before // lysing cell->SetTimerState( - cell->GetTimerState() + + static_cast(cell->GetTimerState()) + kDtCycle); // Increase timer_state to track time in this state // (kDtCycle minutes per step) // volume change @@ -556,7 +486,7 @@ void StateControlGrowProliferate::Run(Agent* agent) { case TumorCellState::kNecroticLysed: { // the cell is shirinking and will // be removed after a certain time cell->SetTimerState( - cell->GetTimerState() + + static_cast(cell->GetTimerState()) + kDtCycle); // Increase timer_state to track time in this state // (kDtCycle minutes per step) // volume change @@ -589,7 +519,7 @@ void StateControlGrowProliferate::Run(Agent* agent) { // cell->SetType(5); // Set type to 5 to indicate dead cell cell->SetTimerState( - cell->GetTimerState() + + static_cast(cell->GetTimerState()) + kDtCycle); // Increase timer_state to track time in this state // (kDtCycle minutes per step) // volume change CHANGe check if it should indeed be reduced to 0 @@ -620,6 +550,104 @@ void StateControlGrowProliferate::Run(Agent* agent) { } } +// ManageLivingCell function to handle living cell behavior +void StateControlGrowProliferate::ManageLivingCell(TumorCell* cell, real_t oxygen_level) { + real_t multiplier; + real_t final_rate_transition; + // volume change + cell->ChangeVolumeExponentialRelaxationEquation( + kVolumeRelaxarionRateAliveCytoplasm, + kVolumeRelaxarionRateAliveNucleus, + kVolumeRelaxarionRateAliveFluid); // The cell grows to real_t its + // size + // cell state control + multiplier = 1.0; // Default multiplier for transition cycle + if (oxygen_level < + kOxygenSaturationInProliferation) { // oxygen threshold for + // considering an effect on the + // proliferation cycle + multiplier = + (oxygen_level - kOxygenLimitForProliferation) / + (kOxygenSaturationInProliferation - kOxygenLimitForProliferation); + } + if (oxygen_level < kOxygenLimitForProliferation) { + multiplier = + 0.0; // If oxygen is below the limit, set multiplier to 0 + } + // double multiplier1 = multiplier; //Debug + + final_rate_transition = + cell->GetTransformationRandomRate() * multiplier * + cell->GetOncoproteineLevel(); // Calculate the rate of state change + // based on oxygen level and + // oncoproteine (min^-1) + + // Debug + // int current_time = sim->GetScheduler()->GetSimulatedSteps()* kDt; // + // Get the current time step in minutes std::ofstream + // file("output/simulation_data_mine" + + // std::to_string(current_time/(12*60)) + ".csv", std::ios::app); if + // (file.is_open()) { file << oxygen_level << "," + // << cell->GetOncoproteineLevel() << "," + // <GetTransformationRandomRate()<< "," + // << final_rate_transition << "\n"; + // } + // End Debug + + // Debug Debug Output params + // std::ofstream file2("output/params_o2_oncoproteine.csv", + // std::ios::app); if (file2.is_open()) { + + // // Write data to CSV file + // file2 << currennt_time << ",multiplier1," + // << multiplier1 << ",multiplier2," + // << multiplier2 << ",transition_rate," + // << final_rate_transition + // <<"\n"; + // } + // End Debug Output + // End Debug + + // //volume change + // cell->ChangeVolumeExponentialRelaxationEquation(kVolumeRelaxarionRateAliveCytoplasm, + // kVolumeRelaxarionRateAliveNucleus, + // kVolumeRelaxarionRateAliveFluid); + // // The cell grows to + // real_t its size + // //cell state control + // multiplier = 1.0; // Default multiplier for transition cycle + // if (oxygen_level < kOxygenSaturationInProliferation) {//oxygen + // threshold for considering an effect on the proliferation cycle + // multiplier = + // (oxygen_level-kOxygenLimitForProliferation)/(kOxygenSaturationInProliferation-kOxygenLimitForProliferation); + // } + // if(oxygen_level < kOxygenLimitForProliferation) { + // multiplier = 0.0; // If oxygen is below the limit, set multiplier + // to 0 + // } + + // final_rate_transition= cell->GetTransformationRandomRate() * + // multiplier * cell->GetOncoproteineLevel(); // Calculate the rate of + // state change based on oxygen level and oncoproteine (min^-1) + + real_t time_to_wait = + kTimeTooLarge; // Set a very large time to avoid division by zero + if (final_rate_transition > 0) { + time_to_wait = + 1. / final_rate_transition; // Calculate the time to transition + // (in minutes ) + } + if (time_to_wait < + cell->GetTimerState()) { // If the timer_state exceeds the time to + // transition, change state (this is a + // fixed duration transition) + // mitosis: cell divides + cell->SetState(TumorCellState::kAlive); + cell->Divide(); + cell->SetTimerState(0); // Reset timer_state + } +} + // computes the probability of the cell entering necrosis bool StateControlGrowProliferate::ShouldEnterNecrosis(real_t oxygen_level, TumorCell* cell) const { @@ -665,7 +693,8 @@ bool StateControlGrowProliferate::ShouldEnterNecrosis(real_t oxygen_level, cell->SetTargetNucleusSolid(0); cell->SetTargetFractionFluid(1.0); // Set target fraction of fluid to 1.0 cell->SetTargetRelationCytoplasmNucleus(0.0); - cell->SetType(5); // Set type to 5 to indicate dead cell + // Set type to 5 to indicate dead cell + cell->SetType(5); // NOLINT(cppcoreguidelines-avoid-magic-numbers,readability-magic-numbers) } return enter_necrosis; // Return whether the cell entered necrosis } diff --git a/src/tumor_cell.h b/src/tumor_cell.h index 95909d1..0a04e17 100644 --- a/src/tumor_cell.h +++ b/src/tumor_cell.h @@ -358,6 +358,13 @@ struct StateControlGrowProliferate : public Behavior { /// @param cell Pointer to the tumor cell being evaluated /// @return True if the cell should enter necrosis, false otherwise bool ShouldEnterNecrosis(real_t oxygen_level, TumorCell* cell) const; + + /// Manage the behavior of a living tumor cell + /// + /// @param cell Pointer to the tumor cell being managed + /// @param oxygen_level Current oxygen concentration at the cell's location + void ManageLivingCell(TumorCell* cell, real_t oxygen_level); + }; } // namespace bdm From 9eb4f4772aff9d1132d543c1680d1fb673160f8f Mon Sep 17 00:00:00 2001 From: salva24 Date: Fri, 29 Aug 2025 19:06:41 +0200 Subject: [PATCH 39/47] utils_aux.cc tidy --- bdm.toml | 6 +- clang_output.txt | 177 ------------------------------ src/diffusion_thomas_algorithm.cc | 2 +- src/hyperparams.h | 3 +- src/tumor_cell.cc | 16 +-- src/tumor_cell.h | 31 +++++- src/utils_aux.cc | 79 +++++++------ 7 files changed, 90 insertions(+), 224 deletions(-) diff --git a/bdm.toml b/bdm.toml index 2db1355..5557514 100644 --- a/bdm.toml +++ b/bdm.toml @@ -4,7 +4,11 @@ interval = 7200 [[visualize_agent]] name = "TumorCell" -additional_data_members = ["diameter_","volume_", "type_"] +additional_data_members = [ + {name = "diameter_", function = "diameter_"}, + {name = "volume_", function = "volume_"}, + {name = "cell_type", function = "GetTypeAsInt"} +] [[visualize_diffusion]] name = "oxygen" diff --git a/clang_output.txt b/clang_output.txt index 9f87f95..e69de29 100644 --- a/clang_output.txt +++ b/clang_output.txt @@ -1,177 +0,0 @@ -102264 warnings generated. -src/utils_aux.cc: clang-tidy-18 -p=build -line-filter=[{\"name\":\"src/cart_cell.cc\",\"lines\":[[1,321]]},{\"name\":\"src/cart_cell.h\",\"lines\":[[1,250]]},{\"name\":\"src/cart_tumor.cc\",\"lines\":[[1,133]]},{\"name\":\"src/cart_tumor.h\",\"lines\":[[1,36]]},{\"name\":\"src/diffusion_thomas_algorithm.cc\",\"lines\":[[1,319]]},{\"name\":\"src/diffusion_thomas_algorithm.h\",\"lines\":[[1,194]]},{\"name\":\"src/forces_tumor_cart.cc\",\"lines\":[[1,163]]},{\"name\":\"src/forces_tumor_cart.h\",\"lines\":[[1,60]]},{\"name\":\"src/hyperparams.h\",\"lines\":[[1,216]]},{\"name\":\"src/tumor_cell.cc\",\"lines\":[[1,673]]},{\"name\":\"src/tumor_cell.h\",\"lines\":[[1,301]]},{\"name\":\"src/utils_aux.cc\",\"lines\":[[1,176]]},{\"name\":\"src/utils_aux.h\",\"lines\":[[1,96]]}] --enable-check-profile -store-check-profile=clang-tidy-review-profile --config-file=.clang-tidy --export-fixes=/tmp/tmpb2o1s_sd/tmp_xr510k8.yaml src/utils_aux.cc -Suppressed 102378 warnings (102216 in non-user code, 162 NOLINT). -Use -header-filter=.* to display errors from all non-system headers. Use -system-headers to display errors from system headers as well. -/github/workspace/src/utils_aux.cc:23:1: warning: #includes are not sorted properly [llvm-include-order] - 23 | #include - | ^ ~~~~~~~ - | "hyperparams.h" - 24 | #include - | ~~~~~~~~~ - | "tumor_cell.h" - 25 | #include - | ~~~~~~~ - | - 26 | #include - | ~~~~~~~~ - | - 27 | #include "hyperparams.h" - | ~~~~~~~~~~~~~~~ - | - 28 | #include "tumor_cell.h" - | ~~~~~~~~~~~~~~ - | -/github/workspace/src/utils_aux.cc:34:1: warning: no header providing "bdm::real_t" is directly included [misc-include-cleaner] - 27 | #include "hyperparams.h" - 28 | #include "tumor_cell.h" - 29 | - 30 | namespace bdm { - 31 | - 32 | // Samples a Gaussian value with given mean and standard deviation but all - 33 | // negative values are mapped to zero - 34 | real_t SamplePositiveGaussian(float mean, float sigma) { - | ^ -/github/workspace/src/utils_aux.cc:43:13: warning: no header providing "bdm::Real3" is directly included [misc-include-cleaner] - 27 | std::vector CreateSphereOfTumorCells(real_t sphere_radius) { - | ^ -/github/workspace/src/utils_aux.cc:45:3: warning: variable 'cell_radius' of type 'real_t' (aka 'double') can be declared 'const' [misc-const-correctness] - 45 | real_t cell_radius = - | ^ - | const -/github/workspace/src/utils_aux.cc:46:46: warning: 6 is a magic number; consider replacing it with a named constant [cppcoreguidelines-avoid-magic-numbers,readability-magic-numbers] - 46 | std::cbrt(kDefaultVolumeNewTumorCell * 6 / Math::kPi) / 2; - | ^ -/github/workspace/src/utils_aux.cc:46:50: warning: no header providing "bdm::Math" is directly included [misc-include-cleaner] - 27 | std::cbrt(kDefaultVolumeNewTumorCell * 6 / Math::kPi) / 2; - | ^ -/github/workspace/src/utils_aux.cc:51:3: warning: variable 'spacing_x' of type 'real_t' (aka 'double') can be declared 'const' [misc-const-correctness] - 51 | real_t spacing_x = cell_radius * std::sqrt(3.0); - | ^ - | const -/github/workspace/src/utils_aux.cc:51:46: warning: 3.0 is a magic number; consider replacing it with a named constant [cppcoreguidelines-avoid-magic-numbers,readability-magic-numbers] - 51 | real_t spacing_x = cell_radius * std::sqrt(3.0); - | ^ -/github/workspace/src/utils_aux.cc:52:3: warning: variable 'spacing_y' of type 'real_t' (aka 'double') can be declared 'const' [misc-const-correctness] - 52 | real_t spacing_y = cell_radius * 2.0; - | ^ - | const -/github/workspace/src/utils_aux.cc:52:36: warning: 2.0 is a magic number; consider replacing it with a named constant [cppcoreguidelines-avoid-magic-numbers,readability-magic-numbers] - 52 | real_t spacing_y = cell_radius * 2.0; - | ^ -/github/workspace/src/utils_aux.cc:53:3: warning: variable 'spacing_z' of type 'real_t' (aka 'double') can be declared 'const' [misc-const-correctness] - 53 | real_t spacing_z = cell_radius * std::sqrt(3.0); - | ^ - | const -/github/workspace/src/utils_aux.cc:53:46: warning: 3.0 is a magic number; consider replacing it with a named constant [cppcoreguidelines-avoid-magic-numbers,readability-magic-numbers] - 53 | real_t spacing_z = cell_radius * std::sqrt(3.0); - | ^ -/github/workspace/src/utils_aux.cc:56:3: warning: Variable 'z' with floating point type 'real_t' should not be used as a loop counter [clang-analyzer-security.FloatLoopCounter] - 56 | for (real_t z = -sphere_radius; z < sphere_radius; z += spacing_z, ++zc) { - | ^ ~ ~ -/github/workspace/src/utils_aux.cc:56:3: note: Variable 'z' with floating point type 'real_t' should not be used as a loop counter - 56 | for (real_t z = -sphere_radius; z < sphere_radius; z += spacing_z, ++zc) { - | ^ ~ ~ -/github/workspace/src/utils_aux.cc:58:5: warning: Variable 'x' with floating point type 'real_t' should not be used as a loop counter [clang-analyzer-security.FloatLoopCounter] - 58 | for (real_t x = -sphere_radius; x < sphere_radius; x += spacing_x, ++xc) { - | ^ ~ ~ -/github/workspace/src/utils_aux.cc:58:5: note: Variable 'x' with floating point type 'real_t' should not be used as a loop counter - 58 | for (real_t x = -sphere_radius; x < sphere_radius; x += spacing_x, ++xc) { - | ^ ~ ~ -/github/workspace/src/utils_aux.cc:60:7: warning: Variable 'y' with floating point type 'real_t' should not be used as a loop counter [clang-analyzer-security.FloatLoopCounter] - 60 | for (real_t y = -sphere_radius; y < sphere_radius; y += spacing_y, ++yc) { - | ^ ~ ~ -/github/workspace/src/utils_aux.cc:60:7: note: Variable 'y' with floating point type 'real_t' should not be used as a loop counter - 60 | for (real_t y = -sphere_radius; y < sphere_radius; y += spacing_y, ++yc) { - | ^ ~ ~ -/github/workspace/src/utils_aux.cc:62:9: warning: variable 'px' of type 'real_t' (aka 'double') can be declared 'const' [misc-const-correctness] - 62 | real_t px = x + (zc % 2) * 0.5 * cell_radius; - | ^ - | const -/github/workspace/src/utils_aux.cc:62:36: warning: 0.5 is a magic number; consider replacing it with a named constant [cppcoreguidelines-avoid-magic-numbers,readability-magic-numbers] - 62 | real_t px = x + (zc % 2) * 0.5 * cell_radius; - | ^ -/github/workspace/src/utils_aux.cc:63:9: warning: variable 'py' of type 'real_t' (aka 'double') can be declared 'const' [misc-const-correctness] - 63 | real_t py = y + (xc % 2) * cell_radius; - | ^ - | const -/github/workspace/src/utils_aux.cc:64:9: warning: variable 'pz' of type 'real_t' (aka 'double') can be declared 'const' [misc-const-correctness] - 64 | real_t pz = z; - | ^ - | const -/github/workspace/src/utils_aux.cc:66:9: warning: variable 'dist' of type 'real_t' (aka 'double') can be declared 'const' [misc-const-correctness] - 66 | real_t dist = std::sqrt(px * px + py * py + pz * pz); - | ^ - | const -/github/workspace/src/utils_aux.cc:80:12: warning: no header providing "size_t" is directly included [misc-include-cleaner] - 24 | std::tuple - | ^ -/github/workspace/src/utils_aux.cc:92:30: warning: no header providing "bdm::Agent" is directly included [misc-include-cleaner] - 27 | rm->ForEachAgent([&](const Agent* agent) { - | ^ -/github/workspace/src/utils_aux.cc:93:9: warning: 'auto *tumor_cell' can be declared as 'const auto *tumor_cell' [readability-qualified-auto] - 93 | if (auto* tumor_cell = dynamic_cast(agent)) { - | ^ - | const -/github/workspace/src/utils_aux.cc:96:7: warning: variable 'dist_sq' of type 'real_t' (aka 'double') can be declared 'const' [misc-const-correctness] - 96 | real_t dist_sq = pos[0] * pos[0] + pos[1] * pos[1] + pos[2] * pos[2]; - | ^ - | const -/github/workspace/src/utils_aux.cc:115:14: warning: 5 is a magic number; consider replacing it with a named constant [cppcoreguidelines-avoid-magic-numbers,readability-magic-numbers] - 115 | case 5: - | ^ -/github/workspace/src/utils_aux.cc:135:54: warning: no header providing "std::ios" is directly included [misc-include-cleaner] - 25 | std::ofstream file("output/final_data.csv", std::ios::app); - | ^ -/github/workspace/src/utils_aux.cc:148:7: warning: variable 'total_minutes' of type 'double' can be declared 'const' [misc-const-correctness] - 148 | double total_minutes = - | ^ - | const -/github/workspace/src/utils_aux.cc:150:7: warning: variable 'total_hours' of type 'double' can be declared 'const' [misc-const-correctness] - 150 | double total_hours = total_minutes / 60.0; - | ^ - | const -/github/workspace/src/utils_aux.cc:150:44: warning: 60.0 is a magic number; consider replacing it with a named constant [cppcoreguidelines-avoid-magic-numbers,readability-magic-numbers] - 150 | double total_hours = total_minutes / 60.0; - | ^ -/github/workspace/src/utils_aux.cc:151:7: warning: variable 'total_days' of type 'double' can be declared 'const' [misc-const-correctness] - 151 | double total_days = total_hours / 24.0; - | ^ - | const -/github/workspace/src/utils_aux.cc:151:41: warning: 24.0 is a magic number; consider replacing it with a named constant [cppcoreguidelines-avoid-magic-numbers,readability-magic-numbers] - 151 | double total_days = total_hours / 24.0; - | ^ -/github/workspace/src/utils_aux.cc:154:14: warning: variable 'total_num_tumor_cells' is not initialized [cppcoreguidelines-init-variables] - 154 | size_t total_num_tumor_cells; - | ^ - | = 0 -/github/workspace/src/utils_aux.cc:155:7: warning: multiple declarations in a single statement reduces readability [readability-isolate-declaration] - 155 | size_t num_tumor_cells_type1, num_tumor_cells_type2, - | ^~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~ - 156 | num_tumor_cells_type3, num_tumor_cells_type4, - | ~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~ - 157 | num_tumor_cells_type5_dead; - | ~~~~~~~~~~~~~~~~~~~~~~~~~~~ -/github/workspace/src/utils_aux.cc:155:14: warning: variable 'num_tumor_cells_type1' is not initialized [cppcoreguidelines-init-variables] - 155 | size_t num_tumor_cells_type1, num_tumor_cells_type2, - | ^ -note: this fix will not be applied because it overlaps with another fix -/github/workspace/src/utils_aux.cc:155:37: warning: variable 'num_tumor_cells_type2' is not initialized [cppcoreguidelines-init-variables] - 155 | size_t num_tumor_cells_type1, num_tumor_cells_type2, - | ^ -note: this fix will not be applied because it overlaps with another fix -/github/workspace/src/utils_aux.cc:156:11: warning: variable 'num_tumor_cells_type3' is not initialized [cppcoreguidelines-init-variables] - 156 | num_tumor_cells_type3, num_tumor_cells_type4, - | ^ -note: this fix will not be applied because it overlaps with another fix -/github/workspace/src/utils_aux.cc:156:34: warning: variable 'num_tumor_cells_type4' is not initialized [cppcoreguidelines-init-variables] - 156 | num_tumor_cells_type3, num_tumor_cells_type4, - | ^ -note: this fix will not be applied because it overlaps with another fix -/github/workspace/src/utils_aux.cc:157:11: warning: variable 'num_tumor_cells_type5_dead' is not initialized [cppcoreguidelines-init-variables] - 157 | num_tumor_cells_type5_dead; - | ^ -note: this fix will not be applied because it overlaps with another fix -/github/workspace/src/utils_aux.cc:158:14: warning: variable 'tumor_radius' is not initialized [cppcoreguidelines-init-variables] - 23 | real_t tumor_radius; - | ^ - | = NAN \ No newline at end of file diff --git a/src/diffusion_thomas_algorithm.cc b/src/diffusion_thomas_algorithm.cc index 1e47d4d..b91b03b 100644 --- a/src/diffusion_thomas_algorithm.cc +++ b/src/diffusion_thomas_algorithm.cc @@ -46,7 +46,7 @@ DiffusionThomasAlgorithm::DiffusionThomasAlgorithm( jump_k_(static_cast(resolution_ * resolution_)), constant1_(dc * dt / (d_space_ * d_space_)), constant1a_(-constant1_), - constant2_(mu * dt / kDirectionsDivisor), + constant2_(mu * dt / 3.0),// NOLINT(cppcoreguidelines-avoid-magic-numbers,readability-magic-numbers) constant3_(1.0 + 2 * constant1_ + constant2_), constant3a_(1.0 + constant1_ + constant2_), thomas_c_x_(resolution_, constant1a_), diff --git a/src/hyperparams.h b/src/hyperparams.h index 93d6b94..8b390ab 100644 --- a/src/hyperparams.h +++ b/src/hyperparams.h @@ -94,6 +94,7 @@ constexpr real_t kVolumeRelaxarionRateFluidNecroticLysed = 0.050 / 60.0; constexpr real_t kThresholdCancerCellType1 = 1.5; constexpr real_t kThresholdCancerCellType2 = 1.0; constexpr real_t kThresholdCancerCellType3 = 0.5; +constexpr real_t kThresholdCancerCellType4 = 0.0; /// /// General Hyperparameters @@ -191,8 +192,6 @@ constexpr real_t kAdhesionCartCart = 0.0; constexpr real_t kAdhesionCartTumor = 0.0; /// Adhesion coeficient between tumor cells and CAR-T cells constexpr real_t kAdhesionTumorCart = 0.0; -/// Divisor for dividing directions -constexpr real_t kDirectionsDivisor = 3.0; /// Do not change // coefficientes for the two step Adams-Bashforth approximation of the time diff --git a/src/tumor_cell.cc b/src/tumor_cell.cc index cb417cb..a53e37b 100644 --- a/src/tumor_cell.cc +++ b/src/tumor_cell.cc @@ -51,7 +51,7 @@ TumorCell::TumorCell(const Real3& position) target_nucleus_solid_(0.0), target_fraction_fluid_(0.0), target_relation_cytoplasm_nucleus_(0.0), - type_(0), + type_(TumorCellType::kType0), older_velocity_{0, 0, 0}, oxygen_consumption_rate_(0.0), immunostimulatory_factor_secretion_rate_(0.0), @@ -174,13 +174,15 @@ void TumorCell::SetOncoproteineLevel(real_t level) { oncoproteine_level_ = level; // oncoproteine_level_ // cell type if (level >= kThresholdCancerCellType1) { // between 1.5 and 2.0 - type_ = 1; + type_ = TumorCellType::kType1; } else if (level >= kThresholdCancerCellType2 && level < kThresholdCancerCellType1) { - type_ = 2; + type_ = TumorCellType::kType2; } else if (level >= kThresholdCancerCellType3 && level < kThresholdCancerCellType2) { - type_ = 3; - } else { // between 0.0 and 0.5 - type_ = 4; + type_ = TumorCellType::kType3; + } else if (level >= kThresholdCancerCellType4 && level < kThresholdCancerCellType3) { + type_ = TumorCellType::kType4; + } else { // undefined type + type_ = TumorCellType::kType0; } } @@ -694,7 +696,7 @@ bool StateControlGrowProliferate::ShouldEnterNecrosis(real_t oxygen_level, cell->SetTargetFractionFluid(1.0); // Set target fraction of fluid to 1.0 cell->SetTargetRelationCytoplasmNucleus(0.0); // Set type to 5 to indicate dead cell - cell->SetType(5); // NOLINT(cppcoreguidelines-avoid-magic-numbers,readability-magic-numbers) + cell->SetType(TumorCellType::kType5); } return enter_necrosis; // Return whether the cell entered necrosis } diff --git a/src/tumor_cell.h b/src/tumor_cell.h index 0a04e17..6ddf682 100644 --- a/src/tumor_cell.h +++ b/src/tumor_cell.h @@ -24,7 +24,6 @@ #include "core/util/root.h" #include "core/agent/agent.h" -#include "core/agent/agent.h" // Ensure bdm::Agent is directly included #include "core/agent/cell.h" #include "core/behavior/behavior.h" #include "core/diffusion/diffusion_grid.h" @@ -58,6 +57,26 @@ enum class TumorCellState : int { ///< controlled form of cell death. }; +/// Enumeration representing the different types of tumor cells +/// +/// This enum class defines the various types of tumor cells depending on their +/// agressiveness from 1 (most agressive) until 4 (least agressive) based on the +/// expressed oncoprotein level. Type 5 cells are dead cells +enum class TumorCellType : int { + kType0 = + 0, ///< Unclassified tumor cells + kType1 = + 1, ///< Most aggressive tumor cells + kType2 = + 2, ///< Moderately aggressive tumor cells + kType3 = + 3, ///< Less aggressive tumor cells + kType4 = + 4, ///< Least aggressive tumor cells + kType5 = + 5 ///< Dead tumor cells +}; + /// Tumor cell class implementation /// /// This class represents a cancer cell that forms a heterogeneous tumor in the @@ -88,7 +107,7 @@ class TumorCell : public Cell { target_nucleus_solid_(0.0), target_fraction_fluid_(0.0), target_relation_cytoplasm_nucleus_(0.0), - type_(0), + type_(TumorCellType::kType0), oxygen_consumption_rate_(0.0), immunostimulatory_factor_secretion_rate_(0.0), constant1_oxygen_(0.0), @@ -159,8 +178,8 @@ class TumorCell : public Cell { void SetAttachedToCart(bool attached) { attached_to_cart_ = attached; } bool IsAttachedToCart() const { return attached_to_cart_; } - void SetType(int type) { type_ = type; } - int GetType() const { return type_; } + void SetType(TumorCellType type) { type_ = type; } + TumorCellType GetType() const { return type_; } Real3 GetOlderVelocity() const { return older_velocity_; } void SetOlderVelocity(const Real3& velocity) { older_velocity_ = velocity; } @@ -179,6 +198,8 @@ class TumorCell : public Cell { real_t GetTargetTotalVolume() const; + int GetTypeAsInt() const { return static_cast(type_); } + /// Returns the diffusion grid for oxygen DiffusionGrid* GetOxygenDiffusionGrid() const { return oxygen_dgrid_; } /// Returns the diffusion grid for immunostimulatory factors @@ -293,7 +314,7 @@ class TumorCell : public Cell { /// Types 1-4: 1 is the most mutated and proliferative type, 4 is the least /// aggressive. Type 5 means the cell is dead. // NOLINTNEXTLINE(readability-identifier-naming) - int type_ = 0; + TumorCellType type_ = TumorCellType::kType0; /// Velocity of the cell in the previous time step // NOLINTNEXTLINE(readability-identifier-naming) diff --git a/src/utils_aux.cc b/src/utils_aux.cc index 90cff66..552c1fe 100644 --- a/src/utils_aux.cc +++ b/src/utils_aux.cc @@ -23,7 +23,14 @@ #include #include #include +#include #include +#include +#include +#include "core/agent/agent.h" +#include "core/real_t.h" +#include "core/util/math.h" +#include "core/container/math_array.h" #include "hyperparams.h" #include "tumor_cell.h" @@ -42,28 +49,34 @@ real_t SamplePositiveGaussian(float mean, float sigma) { std::vector CreateSphereOfTumorCells(real_t sphere_radius) { // V = (4/3)*pi*r^3 = (pi/6)*diameter^3 - real_t cell_radius = - std::cbrt(kDefaultVolumeNewTumorCell * 6 / Math::kPi) / 2; + const real_t cell_radius = + std::cbrt(kDefaultVolumeNewTumorCell * 6 / Math::kPi) / 2;// NOLINT(cppcoreguidelines-avoid-magic-numbers,readability-magic-numbers) std::vector positions; // Hexagonal close-packing spacing - real_t spacing_x = cell_radius * std::sqrt(3.0); - real_t spacing_y = cell_radius * 2.0; - real_t spacing_z = cell_radius * std::sqrt(3.0); - - int zc = 0; - for (real_t z = -sphere_radius; z < sphere_radius; z += spacing_z, ++zc) { - int xc = 0; - for (real_t x = -sphere_radius; x < sphere_radius; x += spacing_x, ++xc) { - int yc = 0; - for (real_t y = -sphere_radius; y < sphere_radius; y += spacing_y, ++yc) { + const real_t spacing_x = cell_radius * std::sqrt(3.0);// NOLINT(cppcoreguidelines-avoid-magic-numbers,readability-magic-numbers) + const real_t spacing_y = cell_radius * 2.0;// NOLINT(cppcoreguidelines-avoid-magic-numbers,readability-magic-numbers) + const real_t spacing_z = cell_radius * std::sqrt(3.0);// NOLINT(cppcoreguidelines-avoid-magic-numbers,readability-magic-numbers) + + // Use integer counters instead of floating-point loop variables + int z_steps = static_cast((2 * sphere_radius) / spacing_z) + 1; + int x_steps = static_cast((2 * sphere_radius) / spacing_x) + 1; + int y_steps = static_cast((2 * sphere_radius) / spacing_y) + 1; + + for (int zi = 0; zi < z_steps; ++zi) { + const real_t z = -sphere_radius + zi * spacing_z; + for (int xi = 0; xi < x_steps; ++xi) { + const real_t x = -sphere_radius + xi * spacing_x; + for (int yi = 0; yi < y_steps; ++yi) { + const real_t y = -sphere_radius + yi * spacing_y; + // Compute cell center with HCP offset - real_t px = x + (zc % 2) * 0.5 * cell_radius; - real_t py = y + (xc % 2) * cell_radius; - real_t pz = z; + const real_t px = x + (zi % 2) * 0.5 * cell_radius;// NOLINT(cppcoreguidelines-avoid-magic-numbers,readability-magic-numbers) + const real_t py = y + (xi % 2) * cell_radius;// NOLINT(cppcoreguidelines-avoid-magic-numbers,readability-magic-numbers) + const real_t pz = z; - real_t dist = std::sqrt(px * px + py * py + pz * pz); + const real_t dist = std::sqrt(px * px + py * py + pz * pz); if (dist <= sphere_radius) { positions.push_back({px, py, pz}); @@ -90,29 +103,29 @@ ComputeNumberTumorCellsAndRadius() { real_t max_dist_sq = 0.0; rm->ForEachAgent([&](const Agent* agent) { - if (auto* tumor_cell = dynamic_cast(agent)) { + if (const auto* tumor_cell = dynamic_cast(agent)) { total_num_tumor_cells++; const auto& pos = agent->GetPosition(); - real_t dist_sq = pos[0] * pos[0] + pos[1] * pos[1] + pos[2] * pos[2]; + const real_t dist_sq = pos[0] * pos[0] + pos[1] * pos[1] + pos[2] * pos[2]; if (dist_sq > max_dist_sq) { max_dist_sq = dist_sq; } // Count tumor cells by type switch (tumor_cell->GetType()) { - case 1: + case TumorCellType::kType1: num_tumor_cells_type1++; break; - case 2: + case TumorCellType::kType2: num_tumor_cells_type2++; break; - case 3: + case TumorCellType::kType3: num_tumor_cells_type3++; break; - case 4: + case TumorCellType::kType4: num_tumor_cells_type4++; break; - case 5: + case TumorCellType::kType5: num_tumor_cells_type5_dead++; break; default: @@ -145,21 +158,25 @@ void OutputSummary::operator()() { } // Calculate time in days, hours, minutes - double total_minutes = + const double total_minutes = Simulation::GetActive()->GetScheduler()->GetSimulatedTime(); - double total_hours = total_minutes / 60.0; - double total_days = total_hours / 24.0; + const double total_hours = total_minutes / 60.0;// NOLINT(cppcoreguidelines-avoid-magic-numbers,readability-magic-numbers) + const double total_days = total_hours / 24.0;// NOLINT(cppcoreguidelines-avoid-magic-numbers,readability-magic-numbers) // Count total cells, tumor cells of each type and tumor radius - size_t total_num_tumor_cells; - size_t num_tumor_cells_type1, num_tumor_cells_type2, - num_tumor_cells_type3, num_tumor_cells_type4, - num_tumor_cells_type5_dead; - real_t tumor_radius; + size_t total_num_tumor_cells = 0; + size_t num_tumor_cells_type1 = 0; + size_t num_tumor_cells_type2 = 0; + size_t num_tumor_cells_type3 = 0; + size_t num_tumor_cells_type4 = 0; + size_t num_tumor_cells_type5_dead = 0; + real_t tumor_radius = 0.0; + std::tie(total_num_tumor_cells, num_tumor_cells_type1, num_tumor_cells_type2, num_tumor_cells_type3, num_tumor_cells_type4, num_tumor_cells_type5_dead, tumor_radius) = ComputeNumberTumorCellsAndRadius(); + // Write data to CSV file file << total_days << "," << total_hours << "," << total_minutes << "," << tumor_radius << "," From 126bdecdf24752413eca8ccc0886e73a2b869794 Mon Sep 17 00:00:00 2001 From: salva24 Date: Fri, 29 Aug 2025 19:19:28 +0200 Subject: [PATCH 40/47] tidy and clang format on everything --- clang_output.txt | 0 src/cart_cell.cc | 45 +++++---- src/cart_cell.h | 20 ++-- src/cart_tumor.cc | 26 +++-- src/diffusion_thomas_algorithm.cc | 153 +++++++++++++++++++----------- src/diffusion_thomas_algorithm.h | 27 +++--- src/forces_tumor_cart.cc | 20 ++-- src/forces_tumor_cart.h | 3 +- src/hyperparams.h | 6 +- src/tumor_cell.cc | 67 +++++++------ src/tumor_cell.h | 33 +++---- src/utils_aux.cc | 56 +++++++---- src/utils_aux.h | 20 ++-- 13 files changed, 284 insertions(+), 192 deletions(-) delete mode 100644 clang_output.txt diff --git a/clang_output.txt b/clang_output.txt deleted file mode 100644 index e69de29..0000000 diff --git a/src/cart_cell.cc b/src/cart_cell.cc index 9154f15..b511aeb 100644 --- a/src/cart_cell.cc +++ b/src/cart_cell.cc @@ -19,30 +19,31 @@ * for the compiler-research.org organization. */ -#include "cart_cell.h" #include #include #include #include -#include "hyperparams.h" -#include "core/util/root.h" + #include "core/agent/agent.h" #include "core/agent/cell.h" -#include "core/resource_manager.h" +#include "core/agent/new_agent_event.h" #include "core/behavior/behavior.h" -#include "core/diffusion/diffusion_grid.h" #include "core/container/math_array.h" +#include "core/diffusion/diffusion_grid.h" #include "core/functor.h" -#include "core/agent/new_agent_event.h" +#include "core/interaction_force.h" #include "core/real_t.h" +#include "core/resource_manager.h" #include "core/util/log.h" -#include "core/interaction_force.h" +#include "core/util/root.h" + +#include "cart_cell.h" +#include "hyperparams.h" #include "tumor_cell.h" #include "utils_aux.h" namespace bdm { - CartCell::CartCell(const Real3& position) : state_(CartCellState::kAlive), timer_state_(0), @@ -66,7 +67,8 @@ CartCell::CartCell(const Real3& position) SetVolume(kDefaultVolumeNewCartCell); const ResourceManager& rm = *Simulation::GetActive()->GetResourceManager(); oxygen_dgrid_ = rm.GetDiffusionGrid("oxygen"); - immunostimulatory_factor_dgrid_ = rm.GetDiffusionGrid("immunostimulatory_factor"); + immunostimulatory_factor_dgrid_ = + rm.GetDiffusionGrid("immunostimulatory_factor"); ComputeConstantsConsumptionSecretion(); } @@ -87,8 +89,8 @@ real_t CartCell::GetTargetTotalVolume() const { // convergence // NOLINTNEXTLINE(bugprone-easily-swappable-parameters) void CartCell::ChangeVolumeExponentialRelaxationEquation( - real_t relaxation_rate_cytoplasm, real_t relaxation_rate_nucleus, - real_t relaxation_rate_fluid) { + real_t relaxation_rate_cytoplasm, real_t relaxation_rate_nucleus, + real_t relaxation_rate_fluid) { // Exponential relaxation towards the target volume const real_t current_total_volume = GetVolume(); const real_t fluid_fraction = GetFluidFraction(); @@ -110,7 +112,8 @@ void CartCell::ChangeVolumeExponentialRelaxationEquation( new_fluid = 0.0; } - const real_t nuclear_fluid = new_fluid * (nuclear_volume / current_total_volume); + const real_t nuclear_fluid = + new_fluid * (nuclear_volume / current_total_volume); // real_t cytoplasm_fluid = new_fluid - nuclear_fluid; real_t nuclear_solid = current_nuclear_solid + @@ -122,11 +125,11 @@ void CartCell::ChangeVolumeExponentialRelaxationEquation( } const real_t target_cytoplasm_solid = - GetTargetRelationCytoplasmNucleus() * GetTargetNucleusSolid(); + GetTargetRelationCytoplasmNucleus() * GetTargetNucleusSolid(); real_t cytoplasm_solid = - current_cytoplasm_solid + - kDtCycle * relaxation_rate_cytoplasm * - (target_cytoplasm_solid - current_cytoplasm_solid); + current_cytoplasm_solid + + kDtCycle * relaxation_rate_cytoplasm * + (target_cytoplasm_solid - current_cytoplasm_solid); // Clamp to zero to prevent negative volumes if (cytoplasm_solid < 0.0) { cytoplasm_solid = 0.0; @@ -264,9 +267,10 @@ void StateControlCart::Run(Agent* agent) { if (sim->GetRandom()->Uniform(1.0) < kDtCycle / - std::max(cell->GetCurrentLiveTime(), - kEpsilon)) { // Probability of death= 1/CurrentLiveTime, - // avoiding division by 0 + std::max( + cell->GetCurrentLiveTime(), + kEpsilon)) { // Probability of death= 1/CurrentLiveTime, + // avoiding division by 0 // the cell Dies cell->SetState(CartCellState::kApoptotic); cell->SetTimerState(0); // Reset timer_state, it should be 0 anyway @@ -295,7 +299,8 @@ void StateControlCart::Run(Agent* agent) { break; } case CartCellState::kApoptotic: { - cell->SetTimerState(static_cast(static_cast(cell->GetTimerState()) + kDtCycle)); + cell->SetTimerState(static_cast( + static_cast(cell->GetTimerState()) + kDtCycle)); cell->ChangeVolumeExponentialRelaxationEquation( kVolumeRelaxarionRateCytoplasmApoptotic, diff --git a/src/cart_cell.h b/src/cart_cell.h index 8f0b900..51c09f5 100644 --- a/src/cart_cell.h +++ b/src/cart_cell.h @@ -22,17 +22,17 @@ #ifndef CART_CELL_H_ #define CART_CELL_H_ -#include "core/util/root.h" #include "core/agent/agent.h" #include "core/agent/cell.h" +#include "core/agent/new_agent_event.h" #include "core/behavior/behavior.h" -#include "core/diffusion/diffusion_grid.h" #include "core/container/math_array.h" -#include "core/agent/new_agent_event.h" -#include "core/real_t.h" +#include "core/diffusion/diffusion_grid.h" #include "core/interaction_force.h" -#include "tumor_cell.h" +#include "core/real_t.h" +#include "core/util/root.h" +#include "tumor_cell.h" namespace bdm { @@ -61,8 +61,9 @@ class CartCell : public Cell { public: CartCell() = default; explicit CartCell(const Real3& position); - - // Copy and move constructors/destructors (assignment operators are deleted by base class) + + // Copy and move constructors/destructors (assignment operators are deleted by + // base class) CartCell(const CartCell&) = default; CartCell(CartCell&&) = default; ~CartCell() override = default; @@ -270,8 +271,9 @@ struct StateControlCart : public Behavior { BDM_BEHAVIOR_HEADER(StateControlCart, Behavior, 1); StateControlCart() { AlwaysCopyToNew(); } - - // Copy and move constructors/destructors (assignment operators handled by base class) + + // Copy and move constructors/destructors (assignment operators handled by + // base class) StateControlCart(const StateControlCart&) = default; StateControlCart(StateControlCart&&) = default; ~StateControlCart() override = default; diff --git a/src/cart_tumor.cc b/src/cart_tumor.cc index 9bc8a3b..9eb7d3c 100644 --- a/src/cart_tumor.cc +++ b/src/cart_tumor.cc @@ -18,19 +18,22 @@ * This file contains a model developed under Google Summer of Code (GSoC) * for the compiler-research.org organization. */ -#include "cart_tumor.h" + #include #include #include + #include "core/container/math_array.h" +#include "core/diffusion/diffusion_grid.h" #include "core/environment/uniform_grid_environment.h" -#include "core/real_t.h" -#include "core/simulation.h" #include "core/model_initializer.h" -#include "core/param/param.h" -#include "core/operation/operation.h" #include "core/operation/mechanical_forces_op.h" -#include "core/diffusion/diffusion_grid.h" +#include "core/operation/operation.h" +#include "core/param/param.h" +#include "core/real_t.h" +#include "core/simulation.h" + +#include "cart_tumor.h" #include "diffusion_thomas_algorithm.h" #include "forces_tumor_cart.h" #include "hyperparams.h" @@ -44,9 +47,11 @@ int Simulate(int argc, const char** argv) { auto set_param = [](Param* param) { param->random_seed = kSeed; // Set a fixed random seed for reproducibility param->bound_space = Param::BoundSpaceMode::kTorus; // Periodic boundary - param->min_bound = -kBoundedSpaceLength / 2.0; // Fixed: explicit floating point division + param->min_bound = + -kBoundedSpaceLength / 2.0; // Fixed: explicit floating point division param->max_bound = - kBoundedSpaceLength / 2.0; // Fixed: explicit floating point division - Cube of 1000x1000x1000 centered at origin + kBoundedSpaceLength / 2.0; // Fixed: explicit floating point division - + // Cube of 1000x1000x1000 centered at origin param->simulation_time_step = kDt; }; @@ -114,10 +119,11 @@ int Simulate(int argc, const char** argv) { // One spherical tumor of radius kInitialRadiusTumor in the center of the // simulation space - const std::vector positions = // Fixed: added const + const std::vector positions = // Fixed: added const CreateSphereOfTumorCells(kInitialRadiusTumor); // positions of the cells for (const auto& pos : positions) { - auto* tumor_cell = new TumorCell(pos); // Fixed: use auto and gsl::owner handled by framework + auto* tumor_cell = new TumorCell( + pos); // Fixed: use auto and gsl::owner handled by framework tumor_cell->AddBehavior(new StateControlGrowProliferate()); ctxt->AddAgent(tumor_cell); } diff --git a/src/diffusion_thomas_algorithm.cc b/src/diffusion_thomas_algorithm.cc index b91b03b..4cb9caf 100644 --- a/src/diffusion_thomas_algorithm.cc +++ b/src/diffusion_thomas_algorithm.cc @@ -18,35 +18,44 @@ * This file contains a model developed under Google Summer of Code (GSoC) * for the compiler-research.org organization. */ -#include "diffusion_thomas_algorithm.h" + #include #include #include #include -#include "core/util/root.h" -#include "core/diffusion/diffusion_grid.h" + #include "core/agent/agent.h" +#include "core/diffusion/diffusion_grid.h" #include "core/real_t.h" +#include "core/util/root.h" + #include "cart_cell.h" +#include "diffusion_thomas_algorithm.h" #include "hyperparams.h" #include "tumor_cell.h" namespace bdm { // NOLINTNEXTLINE(bugprone-easily-swappable-parameters) -DiffusionThomasAlgorithm::DiffusionThomasAlgorithm( - int substance_id, std::string substance_name, real_t dc, real_t mu, - int resolution, real_t dt, bool dirichlet_border) - : DiffusionGrid(substance_id, std::move(substance_name), dc, mu, resolution), +DiffusionThomasAlgorithm::DiffusionThomasAlgorithm(int substance_id, + std::string substance_name, + real_t dc, real_t mu, + int resolution, real_t dt, + bool dirichlet_border) + : DiffusionGrid(substance_id, std::move(substance_name), dc, mu, + resolution), resolution_(static_cast(GetResolution())), - d_space_(static_cast(kBoundedSpaceLength) / static_cast(resolution_)), + d_space_(static_cast(kBoundedSpaceLength) / + static_cast(resolution_)), dirichlet_border_(dirichlet_border), jump_i_(1), jump_j_(static_cast(resolution_)), jump_k_(static_cast(resolution_ * resolution_)), constant1_(dc * dt / (d_space_ * d_space_)), constant1a_(-constant1_), - constant2_(mu * dt / 3.0),// NOLINT(cppcoreguidelines-avoid-magic-numbers,readability-magic-numbers) + constant2_( + mu * dt / + 3.0), // NOLINT(cppcoreguidelines-avoid-magic-numbers,readability-magic-numbers) constant3_(1.0 + 2 * constant1_ + constant2_), constant3a_(1.0 + constant1_ + constant2_), thomas_c_x_(resolution_, constant1a_), @@ -55,9 +64,8 @@ DiffusionThomasAlgorithm::DiffusionThomasAlgorithm( thomas_denom_y_(resolution_, constant3_), thomas_c_z_(resolution_, constant1a_), thomas_denom_z_(resolution_, constant3_) { - SetTimeStep(dt); - + // Initialize the denominators and coefficients for the Thomas algorithm InitializeThomasAlgorithmVectors(thomas_denom_x_, thomas_c_x_); InitializeThomasAlgorithmVectors(thomas_denom_y_, thomas_c_y_); @@ -80,7 +88,8 @@ void DiffusionThomasAlgorithm::InitializeThomasAlgorithmVectors( // Apply Dirichlet boundary conditions to the grid void DiffusionThomasAlgorithm::ApplyDirichletBoundaryConditions() { - const real_t origin = GetDimensionsPtr()[0]; // NOLINT(cppcoreguidelines-pro-bounds-pointer-arithmetic) + const real_t origin = GetDimensionsPtr() + [0]; // NOLINT(cppcoreguidelines-pro-bounds-pointer-arithmetic) const real_t simulated_time = GetSimulatedTime(); #pragma omp parallel { @@ -94,13 +103,15 @@ void DiffusionThomasAlgorithm::ApplyDirichletBoundaryConditions() { // For z=0 size_t z = 0; real_t real_z = origin + static_cast(z) * d_space_; - SetConcentration(static_cast(x), static_cast(y), static_cast(z), + SetConcentration(static_cast(x), static_cast(y), + static_cast(z), GetBoundaryCondition()->Evaluate( real_x, real_y, real_z, simulated_time)); // For z=resolution_-1 z = resolution_ - 1; real_z = origin + static_cast(z) * d_space_; - SetConcentration(static_cast(x), static_cast(y), static_cast(z), + SetConcentration(static_cast(x), static_cast(y), + static_cast(z), GetBoundaryCondition()->Evaluate( real_x, real_y, real_z, simulated_time)); } @@ -114,13 +125,15 @@ void DiffusionThomasAlgorithm::ApplyDirichletBoundaryConditions() { // For y=0 size_t y = 0; real_t real_y = origin + static_cast(y) * d_space_; - SetConcentration(static_cast(x), static_cast(y), static_cast(z), + SetConcentration(static_cast(x), static_cast(y), + static_cast(z), GetBoundaryCondition()->Evaluate( real_x, real_y, real_z, simulated_time)); // For y=resolution_-1 y = resolution_ - 1; real_y = origin + static_cast(y) * d_space_; - SetConcentration(static_cast(x), static_cast(y), static_cast(z), + SetConcentration(static_cast(x), static_cast(y), + static_cast(z), GetBoundaryCondition()->Evaluate( real_x, real_y, real_z, simulated_time)); } @@ -134,13 +147,15 @@ void DiffusionThomasAlgorithm::ApplyDirichletBoundaryConditions() { // For x=0 size_t x = 0; real_t real_x = origin + static_cast(x) * d_space_; - SetConcentration(static_cast(x), static_cast(y), static_cast(z), + SetConcentration(static_cast(x), static_cast(y), + static_cast(z), GetBoundaryCondition()->Evaluate( real_x, real_y, real_z, simulated_time)); // For x=resolution_-1 x = resolution_ - 1; real_x = origin + static_cast(x) * d_space_; - SetConcentration(static_cast(x), static_cast(y), static_cast(z), + SetConcentration(static_cast(x), static_cast(y), + static_cast(z), GetBoundaryCondition()->Evaluate( real_x, real_y, real_z, simulated_time)); } @@ -150,9 +165,14 @@ void DiffusionThomasAlgorithm::ApplyDirichletBoundaryConditions() { // Sets the concentration at a specific voxel void DiffusionThomasAlgorithm::SetConcentration(size_t idx, real_t amount) { - const auto* all_concentrations = GetAllConcentrations(); // NOLINT(cppcoreguidelines-pro-bounds-pointer-arithmetic) - ChangeConcentrationBy(idx, amount - all_concentrations[idx], // NOLINT(cppcoreguidelines-pro-bounds-pointer-arithmetic) - InteractionMode::kAdditive, false); + const auto* all_concentrations = + GetAllConcentrations(); // NOLINT(cppcoreguidelines-pro-bounds-pointer-arithmetic) + ChangeConcentrationBy( + idx, + amount - + all_concentrations + [idx], // NOLINT(cppcoreguidelines-pro-bounds-pointer-arithmetic) + InteractionMode::kAdditive, false); } // Flattens the 3D coordinates (x, y, z) into a 1D index @@ -179,19 +199,19 @@ void DiffusionThomasAlgorithm::Step(real_t /*dt*/) { // Direction Implicit approach void DiffusionThomasAlgorithm::DiffuseChemical() { ApplyBoundaryConditionsIfNeeded(); - + // Solve for X-direction (direction = 0) SolveDirectionThomas(0); ApplyBoundaryConditionsIfNeeded(); - + // Solve for Y-direction (direction = 1) SolveDirectionThomas(1); ApplyBoundaryConditionsIfNeeded(); - + // Solve for Z-direction (direction = 2) SolveDirectionThomas(2); ApplyBoundaryConditionsIfNeeded(); - + // Change of concentration levels because of agents ComputeConsumptionsSecretions(); } @@ -203,21 +223,24 @@ void DiffusionThomasAlgorithm::ApplyBoundaryConditionsIfNeeded() { } void DiffusionThomasAlgorithm::SolveDirectionThomas(unsigned int direction) { - const auto& thomas_denom = (direction == 0) ? thomas_denom_x_ : - (direction == 1) ? thomas_denom_y_ : thomas_denom_z_; - const auto& thomas_c = (direction == 0) ? thomas_c_x_ : - (direction == 1) ? thomas_c_y_ : thomas_c_z_; - const unsigned int jump = (direction == 0) ? static_cast(jump_i_) : - (direction == 1) ? static_cast(jump_j_) : - static_cast(jump_k_); + const auto& thomas_denom = (direction == 0) ? thomas_denom_x_ + : (direction == 1) ? thomas_denom_y_ + : thomas_denom_z_; + const auto& thomas_c = (direction == 0) ? thomas_c_x_ + : (direction == 1) ? thomas_c_y_ + : thomas_c_z_; + const unsigned int jump = + (direction == 0) ? static_cast(jump_i_) + : (direction == 1) ? static_cast(jump_j_) + : static_cast(jump_k_); #pragma omp parallel for collapse(2) for (unsigned int outer = 0; outer < resolution_; outer++) { for (unsigned int middle = 0; middle < resolution_; middle++) { // Forward elimination step ForwardElimination(direction, outer, middle, thomas_denom, jump); - - // Back substitution step + + // Back substitution step BackSubstitution(direction, outer, middle, thomas_c, jump); } } @@ -226,44 +249,62 @@ void DiffusionThomasAlgorithm::SolveDirectionThomas(unsigned int direction) { void DiffusionThomasAlgorithm::ForwardElimination( unsigned int direction, unsigned int outer, unsigned int middle, const std::vector& thomas_denom, unsigned int jump) { - // Get initial index based on direction size_t ind = GetLoopIndex(direction, outer, middle, 0); - const auto* all_concentrations = GetAllConcentrations(); // NOLINT(cppcoreguidelines-pro-bounds-pointer-arithmetic) - SetConcentration(ind, all_concentrations[ind] / thomas_denom[0]); // NOLINT(cppcoreguidelines-pro-bounds-pointer-arithmetic) - + const auto* all_concentrations = + GetAllConcentrations(); // NOLINT(cppcoreguidelines-pro-bounds-pointer-arithmetic) + SetConcentration( + ind, + all_concentrations[ind] / + thomas_denom + [0]); // NOLINT(cppcoreguidelines-pro-bounds-pointer-arithmetic) + // Forward elimination loop for (unsigned int inner = 1; inner < resolution_; inner++) { ind = GetLoopIndex(direction, outer, middle, inner); - SetConcentration(ind, (all_concentrations[ind] + // NOLINT(cppcoreguidelines-pro-bounds-pointer-arithmetic) - constant1_ * all_concentrations[ind - jump]) / // NOLINT(cppcoreguidelines-pro-bounds-pointer-arithmetic) - thomas_denom[inner]); + SetConcentration( + ind, + (all_concentrations + [ind] + // NOLINT(cppcoreguidelines-pro-bounds-pointer-arithmetic) + constant1_ * + all_concentrations + [ind - + jump]) / // NOLINT(cppcoreguidelines-pro-bounds-pointer-arithmetic) + thomas_denom[inner]); } } void DiffusionThomasAlgorithm::BackSubstitution( unsigned int direction, unsigned int outer, unsigned int middle, const std::vector& thomas_c, unsigned int jump) { - - const auto* all_concentrations = GetAllConcentrations(); // NOLINT(cppcoreguidelines-pro-bounds-pointer-arithmetic) - + const auto* all_concentrations = + GetAllConcentrations(); // NOLINT(cppcoreguidelines-pro-bounds-pointer-arithmetic) + // Back substitution loop for (int inner = static_cast(resolution_) - 2; inner >= 0; inner--) { - size_t ind = GetLoopIndex(direction, outer, middle, static_cast(inner)); - SetConcentration(ind, all_concentrations[ind] - // NOLINT(cppcoreguidelines-pro-bounds-pointer-arithmetic) - thomas_c[static_cast(inner)] * all_concentrations[ind + jump]); // NOLINT(cppcoreguidelines-pro-bounds-pointer-arithmetic) + size_t ind = GetLoopIndex(direction, outer, middle, + static_cast(inner)); + SetConcentration( + ind, + all_concentrations + [ind] - // NOLINT(cppcoreguidelines-pro-bounds-pointer-arithmetic) + thomas_c[static_cast(inner)] * + all_concentrations + [ind + + jump]); // NOLINT(cppcoreguidelines-pro-bounds-pointer-arithmetic) } } -size_t DiffusionThomasAlgorithm::GetLoopIndex( - unsigned int direction, unsigned int outer, unsigned int middle, - unsigned int inner) const { +size_t DiffusionThomasAlgorithm::GetLoopIndex(unsigned int direction, + unsigned int outer, + unsigned int middle, + unsigned int inner) const { switch (direction) { - case 0: // X-direction: outer=k, middle=j, inner=i + case 0: // X-direction: outer=k, middle=j, inner=i return GetBoxIndex(inner, middle, outer); - case 1: // Y-direction: outer=k, middle=i, inner=j + case 1: // Y-direction: outer=k, middle=i, inner=j return GetBoxIndex(middle, inner, outer); - case 2: // Z-direction: outer=j, middle=i, inner=k + case 2: // Z-direction: outer=j, middle=i, inner=k return GetBoxIndex(middle, outer, inner); default: return 0; @@ -282,14 +323,16 @@ void DiffusionThomasAlgorithm::ComputeConsumptionsSecretions() { // Handle TumorCell agents const auto& pos = cell->GetPosition(); const real_t conc = this->GetValue(pos); - const real_t new_conc = cell->ConsumeSecreteSubstance(GetContinuumId(), conc); + const real_t new_conc = + cell->ConsumeSecreteSubstance(GetContinuumId(), conc); this->ChangeConcentrationBy(pos, new_conc - conc, InteractionMode::kAdditive, false); } else if (auto* cell = dynamic_cast(agent)) { // Handle CartCell agents const auto& pos = cell->GetPosition(); const real_t conc = GetValue(pos); - const real_t new_conc = cell->ConsumeSecreteSubstance(GetContinuumId(), conc); + const real_t new_conc = + cell->ConsumeSecreteSubstance(GetContinuumId(), conc); ChangeConcentrationBy(pos, new_conc - conc, InteractionMode::kAdditive, false); } diff --git a/src/diffusion_thomas_algorithm.h b/src/diffusion_thomas_algorithm.h index 19153f1..a8f71f7 100644 --- a/src/diffusion_thomas_algorithm.h +++ b/src/diffusion_thomas_algorithm.h @@ -22,12 +22,13 @@ #ifndef DIFFUSION_THOMAS_ALGORITHM_H_ #define DIFFUSION_THOMAS_ALGORITHM_H_ +#include #include #include -#include + +#include "core/diffusion/diffusion_grid.h" #include "core/real_t.h" #include "core/util/root.h" -#include "core/diffusion/diffusion_grid.h" namespace bdm { @@ -62,7 +63,9 @@ class DiffusionThomasAlgorithm : public DiffusionGrid { /// Concentration setters void SetConcentration(real_t x, real_t y, real_t z, real_t amount) { - SetConcentration(GetBoxIndex(static_cast(x), static_cast(y), static_cast(z)), amount); + SetConcentration(GetBoxIndex(static_cast(x), static_cast(y), + static_cast(z)), + amount); } void SetConcentration(size_t idx, real_t amount); @@ -128,7 +131,6 @@ class DiffusionThomasAlgorithm : public DiffusionGrid { void ComputeConsumptionsSecretions(); private: - /// Number of voxels in each spatial direction // NOLINTNEXTLINE(readability-identifier-naming) size_t resolution_; @@ -236,9 +238,10 @@ class DiffusionThomasAlgorithm : public DiffusionGrid { /// @param middle Middle loop index /// @param thomas_denom Precomputed denominators for this direction /// @param jump Index jump value for this direction - void ForwardElimination(unsigned int direction, unsigned int outer, - unsigned int middle, const std::vector& thomas_denom, - unsigned int jump); + void ForwardElimination(unsigned int direction, unsigned int outer, + unsigned int middle, + const std::vector& thomas_denom, + unsigned int jump); /// Perform back substitution step of Thomas algorithm /// @@ -247,9 +250,9 @@ class DiffusionThomasAlgorithm : public DiffusionGrid { /// @param middle Middle loop index /// @param thomas_c Precomputed coefficients for this direction /// @param jump Index jump value for this direction - void BackSubstitution(unsigned int direction, unsigned int outer, - unsigned int middle, const std::vector& thomas_c, - unsigned int jump); + void BackSubstitution(unsigned int direction, unsigned int outer, + unsigned int middle, + const std::vector& thomas_c, unsigned int jump); /// Get the linear index for given direction and loop indices /// @@ -258,8 +261,8 @@ class DiffusionThomasAlgorithm : public DiffusionGrid { /// @param middle Middle loop index /// @param inner Inner loop index /// @return Linear index in the flattened array - size_t GetLoopIndex(unsigned int direction, unsigned int outer, - unsigned int middle, unsigned int inner) const; + size_t GetLoopIndex(unsigned int direction, unsigned int outer, + unsigned int middle, unsigned int inner) const; BDM_CLASS_DEF_OVERRIDE(DiffusionThomasAlgorithm, 1); }; diff --git a/src/forces_tumor_cart.cc b/src/forces_tumor_cart.cc index 2444a59..5f94541 100644 --- a/src/forces_tumor_cart.cc +++ b/src/forces_tumor_cart.cc @@ -19,11 +19,13 @@ * for the compiler-research.org organization. */ -#include "forces_tumor_cart.h" #include #include + #include "core/container/math_array.h" #include "core/real_t.h" + +#include "forces_tumor_cart.h" #include "hyperparams.h" #include "tumor_cell.h" #include "utils_aux.h" @@ -53,8 +55,8 @@ Real4 InteractionVelocity::Calculate(const Agent* lhs, const Agent* rhs) const { (kBoundedSpaceLength)*round(displacement[2] / (kBoundedSpaceLength)); const real_t dist_sq = displacement[0] * displacement[0] + - displacement[1] * displacement[1] + - displacement[2] * displacement[2]; + displacement[1] * displacement[1] + + displacement[2] * displacement[2]; const real_t distance = std::max(std::sqrt(dist_sq), kEpsilonDistance); constexpr real_t kHalf = 2.0; @@ -62,8 +64,8 @@ Real4 InteractionVelocity::Calculate(const Agent* lhs, const Agent* rhs) const { const real_t radius_b = b->GetDiameter() / kHalf; const real_t combined_radius = radius_a + radius_b; // combined_radius=16.8254;//Debug - // std::cout << "Debug: combined_radius = " << combined_radius << ", distance = " << distance << - // std::endl;// Debug output + // std::cout << "Debug: combined_radius = " << combined_radius << ", distance + // = " << distance << std::endl;// Debug output real_t temp_r = 0.0; const auto* a_tumor = dynamic_cast(a); @@ -78,10 +80,11 @@ Real4 InteractionVelocity::Calculate(const Agent* lhs, const Agent* rhs) const { real_t repulsion = NAN; // std::cout << "temp_r = " << temp_r<< std::endl;// Debug output - if ((a_tumor != nullptr) && (b_tumor != nullptr)) { // two tumor cells + if ((a_tumor != nullptr) && (b_tumor != nullptr)) { // two tumor cells repulsion = kRepulsionTumorTumor; // std::sqrt(kRepulsionTumorTumor * // kRepulsionTumorTumor); - } else if ((a_tumor == nullptr) && (b_tumor == nullptr)) { // two CAR-T cells + } else if ((a_tumor == nullptr) && + (b_tumor == nullptr)) { // two CAR-T cells repulsion = kRepulsionCartCart; // std::sqrt(kRepulsionCartCart*kRepulsionCartCart); } else { // one tumor cell and one CAR-T @@ -95,7 +98,8 @@ Real4 InteractionVelocity::Calculate(const Agent* lhs, const Agent* rhs) const { // output // Adhesion - const real_t max_interaction_distance = kMaxRelativeAdhesionDistance * combined_radius; + const real_t max_interaction_distance = + kMaxRelativeAdhesionDistance * combined_radius; // max_interaction_distance=21.0318;//Debug // std::cout << "max_interaction_distance = " << max_interaction_distance << // std::endl;// Debug output diff --git a/src/forces_tumor_cart.h b/src/forces_tumor_cart.h index 6ef8ba1..3da9d28 100644 --- a/src/forces_tumor_cart.h +++ b/src/forces_tumor_cart.h @@ -22,9 +22,8 @@ #ifndef FORCES_TUMOR_CART_H_ #define FORCES_TUMOR_CART_H_ -#include "biodynamo.h" -#include "core/interaction_force.h" #include "core/container/math_array.h" +#include "core/interaction_force.h" namespace bdm { diff --git a/src/hyperparams.h b/src/hyperparams.h index 8b390ab..69b0d33 100644 --- a/src/hyperparams.h +++ b/src/hyperparams.h @@ -24,6 +24,7 @@ #include #include + #include "core/real_t.h" #include "core/util/math.h" @@ -147,7 +148,8 @@ constexpr int kResolutionGridSubstances = 50; // 50 // voxels per axis constexpr real_t kVoxelVolume = (static_cast(kBoundedSpaceLength) / kResolutionGridSubstances) * (static_cast(kBoundedSpaceLength) / kResolutionGridSubstances) * - (static_cast(kBoundedSpaceLength) / kResolutionGridSubstances); // Do not modify this line + (static_cast(kBoundedSpaceLength) / + kResolutionGridSubstances); // Do not modify this line /// Diffusion coefficient of oxygen in μm²/min constexpr real_t kDiffusionCoefficientOxygen = 100000; // 100000 micrometers^2/minute @@ -205,7 +207,7 @@ constexpr real_t kDnew = 1.5 * kDtMechanics; constexpr real_t kDold = -0.5 * kDtMechanics; /// Large time to avoid division by 0 -constexpr real_t kTimeTooLarge = 1e100; +constexpr real_t kTimeTooLarge = 1e100; /// Do not change this line const size_t gKLengthBoxMechanics = diff --git a/src/tumor_cell.cc b/src/tumor_cell.cc index a53e37b..ced232c 100644 --- a/src/tumor_cell.cc +++ b/src/tumor_cell.cc @@ -19,20 +19,22 @@ * for the compiler-research.org organization. */ -#include "tumor_cell.h" #include +#include #include #include -#include -#include "core/real_t.h" + #include "core/agent/agent.h" +#include "core/agent/cell_division_event.h" +#include "core/agent/new_agent_event.h" #include "core/container/math_array.h" -#include "core/interaction_force.h" #include "core/functor.h" +#include "core/interaction_force.h" +#include "core/real_t.h" #include "core/util/log.h" -#include "core/agent/new_agent_event.h" -#include "core/agent/cell_division_event.h" + #include "hyperparams.h" +#include "tumor_cell.h" #include "utils_aux.h" namespace bdm { @@ -72,8 +74,9 @@ TumorCell::TumorCell(const Real3& position) kDefaultFractionFluidTumorCell); // Set target fraction of fluid SetTargetRelationCytoplasmNucleus( (kDefaultVolumeNewTumorCell - kDefaultVolumeNucleusTumorCell) / - (kEpsilon + kDefaultVolumeNucleusTumorCell)); // Set target relation between - // cytoplasm and nucleus + (kEpsilon + + kDefaultVolumeNucleusTumorCell)); // Set target relation between + // cytoplasm and nucleus SetTargetNucleusSolid( kDefaultVolumeNucleusTumorCell * (1 - kDefaultFractionFluidTumorCell)); // Set target nucleus solid volume @@ -144,8 +147,9 @@ void TumorCell::Initialize(const NewAgentEvent& event) { this->ComputeConstantsConsumptionSecretion(); // divde mother's nuclear volume by 2 - const real_t new_nuclear_volume = mother->GetNuclearVolume() / - 2.0; // NOLINT(cppcoreguidelines-avoid-magic-numbers,readability-magic-numbers) + const real_t new_nuclear_volume = + mother->GetNuclearVolume() / + 2.0; // NOLINT(cppcoreguidelines-avoid-magic-numbers,readability-magic-numbers) mother->SetNuclearVolume( new_nuclear_volume); // Set mother's nuclear volume to the new volume this->SetNuclearVolume(new_nuclear_volume); @@ -175,11 +179,14 @@ void TumorCell::SetOncoproteineLevel(real_t level) { // cell type if (level >= kThresholdCancerCellType1) { // between 1.5 and 2.0 type_ = TumorCellType::kType1; - } else if (level >= kThresholdCancerCellType2 && level < kThresholdCancerCellType1) { + } else if (level >= kThresholdCancerCellType2 && + level < kThresholdCancerCellType1) { type_ = TumorCellType::kType2; - } else if (level >= kThresholdCancerCellType3 && level < kThresholdCancerCellType2) { + } else if (level >= kThresholdCancerCellType3 && + level < kThresholdCancerCellType2) { type_ = TumorCellType::kType3; - } else if (level >= kThresholdCancerCellType4 && level < kThresholdCancerCellType3) { + } else if (level >= kThresholdCancerCellType4 && + level < kThresholdCancerCellType3) { type_ = TumorCellType::kType4; } else { // undefined type type_ = TumorCellType::kType0; @@ -189,7 +196,12 @@ void TumorCell::SetOncoproteineLevel(real_t level) { void TumorCell::SetTransformationRandomRate() { // avoid division by zero transformation_random_rate_ = - 1 / (std::max(SamplePositiveGaussian(kAverageTimeTransformationRandomRate, kStandardDeviationTransformationRandomRate) * 60., kEpsilon));// NOLINT(cppcoreguidelines-avoid-magic-numbers,readability-magic-numbers) + 1 / + (std::max( + SamplePositiveGaussian(kAverageTimeTransformationRandomRate, + kStandardDeviationTransformationRandomRate) * + 60., + kEpsilon)); // NOLINT(cppcoreguidelines-avoid-magic-numbers,readability-magic-numbers) } real_t TumorCell::GetTargetTotalVolume() const { @@ -233,7 +245,8 @@ void TumorCell::ChangeVolumeExponentialRelaxationEquation( new_fluid = 0.0; } - const real_t nuclear_fluid = new_fluid * (nuclear_volume / current_total_volume); + const real_t nuclear_fluid = + new_fluid * (nuclear_volume / current_total_volume); // real_t cytoplasm_fluid = new_fluid - nuclear_fluid; real_t nuclear_solid = current_nuclear_solid + @@ -553,36 +566,35 @@ void StateControlGrowProliferate::Run(Agent* agent) { } // ManageLivingCell function to handle living cell behavior -void StateControlGrowProliferate::ManageLivingCell(TumorCell* cell, real_t oxygen_level) { +void StateControlGrowProliferate::ManageLivingCell(TumorCell* cell, + real_t oxygen_level) { real_t multiplier; real_t final_rate_transition; // volume change cell->ChangeVolumeExponentialRelaxationEquation( - kVolumeRelaxarionRateAliveCytoplasm, - kVolumeRelaxarionRateAliveNucleus, + kVolumeRelaxarionRateAliveCytoplasm, kVolumeRelaxarionRateAliveNucleus, kVolumeRelaxarionRateAliveFluid); // The cell grows to real_t its - // size + // size // cell state control multiplier = 1.0; // Default multiplier for transition cycle if (oxygen_level < kOxygenSaturationInProliferation) { // oxygen threshold for - // considering an effect on the - // proliferation cycle + // considering an effect on the + // proliferation cycle multiplier = (oxygen_level - kOxygenLimitForProliferation) / (kOxygenSaturationInProliferation - kOxygenLimitForProliferation); } if (oxygen_level < kOxygenLimitForProliferation) { - multiplier = - 0.0; // If oxygen is below the limit, set multiplier to 0 + multiplier = 0.0; // If oxygen is below the limit, set multiplier to 0 } // double multiplier1 = multiplier; //Debug final_rate_transition = cell->GetTransformationRandomRate() * multiplier * cell->GetOncoproteineLevel(); // Calculate the rate of state change - // based on oxygen level and - // oncoproteine (min^-1) + // based on oxygen level and + // oncoproteine (min^-1) // Debug // int current_time = sim->GetScheduler()->GetSimulatedSteps()* kDt; // @@ -635,9 +647,8 @@ void StateControlGrowProliferate::ManageLivingCell(TumorCell* cell, real_t oxyge real_t time_to_wait = kTimeTooLarge; // Set a very large time to avoid division by zero if (final_rate_transition > 0) { - time_to_wait = - 1. / final_rate_transition; // Calculate the time to transition - // (in minutes ) + time_to_wait = 1. / final_rate_transition; // Calculate the time to + // transition (in minutes ) } if (time_to_wait < cell->GetTimerState()) { // If the timer_state exceeds the time to diff --git a/src/tumor_cell.h b/src/tumor_cell.h index 6ddf682..4932ca3 100644 --- a/src/tumor_cell.h +++ b/src/tumor_cell.h @@ -22,17 +22,17 @@ #ifndef TUMOR_CELL_H_ #define TUMOR_CELL_H_ -#include "core/util/root.h" #include "core/agent/agent.h" #include "core/agent/cell.h" +#include "core/agent/new_agent_event.h" #include "core/behavior/behavior.h" +#include "core/container/math_array.h" #include "core/diffusion/diffusion_grid.h" -#include "core/agent/new_agent_event.h" -#include "core/real_t.h" #include "core/interaction_force.h" +#include "core/real_t.h" #include "core/resource_manager.h" #include "core/scheduler.h" -#include "core/container/math_array.h" +#include "core/util/root.h" namespace bdm { @@ -63,18 +63,12 @@ enum class TumorCellState : int { /// agressiveness from 1 (most agressive) until 4 (least agressive) based on the /// expressed oncoprotein level. Type 5 cells are dead cells enum class TumorCellType : int { - kType0 = - 0, ///< Unclassified tumor cells - kType1 = - 1, ///< Most aggressive tumor cells - kType2 = - 2, ///< Moderately aggressive tumor cells - kType3 = - 3, ///< Less aggressive tumor cells - kType4 = - 4, ///< Least aggressive tumor cells - kType5 = - 5 ///< Dead tumor cells + kType0 = 0, ///< Unclassified tumor cells + kType1 = 1, ///< Most aggressive tumor cells + kType2 = 2, ///< Moderately aggressive tumor cells + kType3 = 3, ///< Less aggressive tumor cells + kType4 = 4, ///< Least aggressive tumor cells + kType5 = 5 ///< Dead tumor cells }; /// Tumor cell class implementation @@ -361,9 +355,11 @@ struct StateControlGrowProliferate : public Behavior { // Special member functions StateControlGrowProliferate(const StateControlGrowProliferate&) = default; - StateControlGrowProliferate& operator=(const StateControlGrowProliferate&) = default; + StateControlGrowProliferate& operator=(const StateControlGrowProliferate&) = + default; StateControlGrowProliferate(StateControlGrowProliferate&&) = default; - StateControlGrowProliferate& operator=(StateControlGrowProliferate&&) = default; + StateControlGrowProliferate& operator=(StateControlGrowProliferate&&) = + default; ~StateControlGrowProliferate() override = default; @@ -385,7 +381,6 @@ struct StateControlGrowProliferate : public Behavior { /// @param cell Pointer to the tumor cell being managed /// @param oxygen_level Current oxygen concentration at the cell's location void ManageLivingCell(TumorCell* cell, real_t oxygen_level); - }; } // namespace bdm diff --git a/src/utils_aux.cc b/src/utils_aux.cc index 552c1fe..e366fc7 100644 --- a/src/utils_aux.cc +++ b/src/utils_aux.cc @@ -19,20 +19,22 @@ * for the compiler-research.org organization. */ -#include "utils_aux.h" #include +#include +#include #include -#include #include +#include #include -#include -#include + #include "core/agent/agent.h" +#include "core/container/math_array.h" #include "core/real_t.h" #include "core/util/math.h" -#include "core/container/math_array.h" + #include "hyperparams.h" #include "tumor_cell.h" +#include "utils_aux.h" namespace bdm { @@ -50,14 +52,23 @@ real_t SamplePositiveGaussian(float mean, float sigma) { std::vector CreateSphereOfTumorCells(real_t sphere_radius) { // V = (4/3)*pi*r^3 = (pi/6)*diameter^3 const real_t cell_radius = - std::cbrt(kDefaultVolumeNewTumorCell * 6 / Math::kPi) / 2;// NOLINT(cppcoreguidelines-avoid-magic-numbers,readability-magic-numbers) + std::cbrt(kDefaultVolumeNewTumorCell * 6 / Math::kPi) / + 2; // NOLINT(cppcoreguidelines-avoid-magic-numbers,readability-magic-numbers) std::vector positions; // Hexagonal close-packing spacing - const real_t spacing_x = cell_radius * std::sqrt(3.0);// NOLINT(cppcoreguidelines-avoid-magic-numbers,readability-magic-numbers) - const real_t spacing_y = cell_radius * 2.0;// NOLINT(cppcoreguidelines-avoid-magic-numbers,readability-magic-numbers) - const real_t spacing_z = cell_radius * std::sqrt(3.0);// NOLINT(cppcoreguidelines-avoid-magic-numbers,readability-magic-numbers) + const real_t spacing_x = + cell_radius * + std::sqrt( + 3.0); // NOLINT(cppcoreguidelines-avoid-magic-numbers,readability-magic-numbers) + const real_t spacing_y = + cell_radius * + 2.0; // NOLINT(cppcoreguidelines-avoid-magic-numbers,readability-magic-numbers) + const real_t spacing_z = + cell_radius * + std::sqrt( + 3.0); // NOLINT(cppcoreguidelines-avoid-magic-numbers,readability-magic-numbers) // Use integer counters instead of floating-point loop variables int z_steps = static_cast((2 * sphere_radius) / spacing_z) + 1; @@ -70,10 +81,16 @@ std::vector CreateSphereOfTumorCells(real_t sphere_radius) { const real_t x = -sphere_radius + xi * spacing_x; for (int yi = 0; yi < y_steps; ++yi) { const real_t y = -sphere_radius + yi * spacing_y; - + // Compute cell center with HCP offset - const real_t px = x + (zi % 2) * 0.5 * cell_radius;// NOLINT(cppcoreguidelines-avoid-magic-numbers,readability-magic-numbers) - const real_t py = y + (xi % 2) * cell_radius;// NOLINT(cppcoreguidelines-avoid-magic-numbers,readability-magic-numbers) + const real_t px = + x + + (zi % 2) * 0.5 * + cell_radius; // NOLINT(cppcoreguidelines-avoid-magic-numbers,readability-magic-numbers) + const real_t py = + y + + (xi % 2) * + cell_radius; // NOLINT(cppcoreguidelines-avoid-magic-numbers,readability-magic-numbers) const real_t pz = z; const real_t dist = std::sqrt(px * px + py * py + pz * pz); @@ -106,7 +123,8 @@ ComputeNumberTumorCellsAndRadius() { if (const auto* tumor_cell = dynamic_cast(agent)) { total_num_tumor_cells++; const auto& pos = agent->GetPosition(); - const real_t dist_sq = pos[0] * pos[0] + pos[1] * pos[1] + pos[2] * pos[2]; + const real_t dist_sq = + pos[0] * pos[0] + pos[1] * pos[1] + pos[2] * pos[2]; if (dist_sq > max_dist_sq) { max_dist_sq = dist_sq; } @@ -160,8 +178,12 @@ void OutputSummary::operator()() { // Calculate time in days, hours, minutes const double total_minutes = Simulation::GetActive()->GetScheduler()->GetSimulatedTime(); - const double total_hours = total_minutes / 60.0;// NOLINT(cppcoreguidelines-avoid-magic-numbers,readability-magic-numbers) - const double total_days = total_hours / 24.0;// NOLINT(cppcoreguidelines-avoid-magic-numbers,readability-magic-numbers) + const double total_hours = + total_minutes / + 60.0; // NOLINT(cppcoreguidelines-avoid-magic-numbers,readability-magic-numbers) + const double total_days = + total_hours / + 24.0; // NOLINT(cppcoreguidelines-avoid-magic-numbers,readability-magic-numbers) // Count total cells, tumor cells of each type and tumor radius size_t total_num_tumor_cells = 0; @@ -171,12 +193,12 @@ void OutputSummary::operator()() { size_t num_tumor_cells_type4 = 0; size_t num_tumor_cells_type5_dead = 0; real_t tumor_radius = 0.0; - + std::tie(total_num_tumor_cells, num_tumor_cells_type1, num_tumor_cells_type2, num_tumor_cells_type3, num_tumor_cells_type4, num_tumor_cells_type5_dead, tumor_radius) = ComputeNumberTumorCellsAndRadius(); - + // Write data to CSV file file << total_days << "," << total_hours << "," << total_minutes << "," << tumor_radius << "," diff --git a/src/utils_aux.h b/src/utils_aux.h index 0f7d773..7d1ce5c 100644 --- a/src/utils_aux.h +++ b/src/utils_aux.h @@ -22,14 +22,15 @@ #ifndef CORE_UTIL_UTILS_AUX_H_ #define CORE_UTIL_UTILS_AUX_H_ -#include #include +#include #include #include -#include "core/real_t.h" + #include "core/container/math_array.h" #include "core/operation/operation.h" #include "core/operation/operation_registry.h" +#include "core/real_t.h" namespace bdm { /// Forward declaration of TumorCell class @@ -80,15 +81,14 @@ ComputeNumberTumorCellsAndRadius(); struct OutputSummary : public StandaloneOperationImpl { BDM_OP_HEADER(OutputSummary); - public: - void SetFrequency(uint64_t frequency) { frequency_ = frequency; } - uint64_t GetFrequency() const { return frequency_; } - - private: - /// Frequency of output (every N simulation steps) - // NOLINTNEXTLINE(readability-identifier-naming) - uint64_t frequency_ = 1; + public: + void SetFrequency(uint64_t frequency) { frequency_ = frequency; } + uint64_t GetFrequency() const { return frequency_; } + private: + /// Frequency of output (every N simulation steps) + // NOLINTNEXTLINE(readability-identifier-naming) + uint64_t frequency_ = 1; /// Collects current simulation data and writes it to CSV files /// From 4af9f9698013faf0cf476aa31025896928aa4368 Mon Sep 17 00:00:00 2001 From: salva24 Date: Fri, 29 Aug 2025 19:30:06 +0200 Subject: [PATCH 41/47] tidy and format --- src/cart_tumor.cc | 15 ++++++++------- 1 file changed, 8 insertions(+), 7 deletions(-) diff --git a/src/cart_tumor.cc b/src/cart_tumor.cc index 9eb7d3c..a987fb8 100644 --- a/src/cart_tumor.cc +++ b/src/cart_tumor.cc @@ -48,10 +48,12 @@ int Simulate(int argc, const char** argv) { param->random_seed = kSeed; // Set a fixed random seed for reproducibility param->bound_space = Param::BoundSpaceMode::kTorus; // Periodic boundary param->min_bound = - -kBoundedSpaceLength / 2.0; // Fixed: explicit floating point division + -kBoundedSpaceLength / + 2.0; // NOLINT(cppcoreguidelines-avoid-magic-numbers,readability-magic-numbers) param->max_bound = - kBoundedSpaceLength / 2.0; // Fixed: explicit floating point division - - // Cube of 1000x1000x1000 centered at origin + kBoundedSpaceLength / + 2.0; // NOLINT(cppcoreguidelines-avoid-magic-numbers,readability-magic-numbers) + // Cube of 1000x1000x1000 centered at origin param->simulation_time_step = kDt; }; @@ -119,11 +121,10 @@ int Simulate(int argc, const char** argv) { // One spherical tumor of radius kInitialRadiusTumor in the center of the // simulation space - const std::vector positions = // Fixed: added const - CreateSphereOfTumorCells(kInitialRadiusTumor); // positions of the cells + const std::vector positions = + CreateSphereOfTumorCells(kInitialRadiusTumor); for (const auto& pos : positions) { - auto* tumor_cell = new TumorCell( - pos); // Fixed: use auto and gsl::owner handled by framework + auto* tumor_cell = new TumorCell(pos); tumor_cell->AddBehavior(new StateControlGrowProliferate()); ctxt->AddAgent(tumor_cell); } From 89a2684047cfeb66bc8d3afa9ffc5e6111ddbc78 Mon Sep 17 00:00:00 2001 From: salva24 Date: Sat, 30 Aug 2025 14:33:20 +0200 Subject: [PATCH 42/47] tidy and formatted (2nd try) --- src/cart_cell.cc | 30 ++------- src/cart_cell.h | 14 ++-- src/diffusion_thomas_algorithm.cc | 104 +++++++++++++++--------------- src/diffusion_thomas_algorithm.h | 10 +-- src/forces_tumor_cart.cc | 12 ++-- src/tumor_cell.cc | 83 ++++-------------------- src/tumor_cell.h | 29 ++------- src/utils_aux.cc | 7 +- src/utils_aux.h | 2 +- 9 files changed, 95 insertions(+), 196 deletions(-) diff --git a/src/cart_cell.cc b/src/cart_cell.cc index b511aeb..7beb1c0 100644 --- a/src/cart_cell.cc +++ b/src/cart_cell.cc @@ -20,6 +20,7 @@ */ #include +#include #include #include #include @@ -35,7 +36,6 @@ #include "core/real_t.h" #include "core/resource_manager.h" #include "core/util/log.h" -#include "core/util/root.h" #include "cart_cell.h" #include "hyperparams.h" @@ -44,25 +44,7 @@ namespace bdm { -CartCell::CartCell(const Real3& position) - : state_(CartCellState::kAlive), - timer_state_(0), - oxygen_dgrid_(nullptr), - immunostimulatory_factor_dgrid_(nullptr), - attached_to_tumor_cell_(false), - current_live_time_(kAverageMaximumTimeUntillApoptosisCart), - fluid_fraction_(kDefaultFractionFluidCartCell), - nuclear_volume_(kDefaultVolumeNucleusCartCell), - target_cytoplasm_solid_(0.0), - target_nucleus_solid_(0.0), - target_fraction_fluid_(0.0), - target_relation_cytoplasm_nucleus_(0.0), - older_velocity_({0, 0, 0}), - oxygen_consumption_rate_(kDefaultOxygenConsumption), - immunostimulatory_factor_secretion_rate_(0.0), - constant1_oxygen_(0.0), - constant2_oxygen_(0.0), - attached_cell_(nullptr) { +CartCell::CartCell(const Real3& position) { SetPosition(position); SetVolume(kDefaultVolumeNewCartCell); const ResourceManager& rm = *Simulation::GetActive()->GetResourceManager(); @@ -89,7 +71,7 @@ real_t CartCell::GetTargetTotalVolume() const { // convergence // NOLINTNEXTLINE(bugprone-easily-swappable-parameters) void CartCell::ChangeVolumeExponentialRelaxationEquation( - real_t relaxation_rate_cytoplasm, real_t relaxation_rate_nucleus, + real_t relaxation_rate_cytoplasm, real_t relaxation_rate_nucleus, // NOLINT real_t relaxation_rate_fluid) { // Exponential relaxation towards the target volume const real_t current_total_volume = GetVolume(); @@ -144,7 +126,7 @@ void CartCell::ChangeVolumeExponentialRelaxationEquation( const real_t new_volume = new_total_solid + new_fluid; // Avoid division by zero - real_t new_fraction_fluid = new_fluid / (kEpsilon + new_volume); + const real_t new_fraction_fluid = new_fluid / (kEpsilon + new_volume); // Update the cell's properties // if the volume has changed @@ -174,7 +156,7 @@ Real3 CartCell::CalculateDisplacement(const InteractionForce* force, // We check for every neighbor object if they touch us, i.e. push us // away and agreagate the velocities - uint64_t non_zero_neighbor_forces = 0; + uint64_t non_zero_neighbor_forces = 0; // NOLINT if (!IsStatic()) { auto* ctxt = Simulation::GetActive()->GetExecutionContext(); auto calculate_neighbor_forces = @@ -212,7 +194,7 @@ Real3 CartCell::CalculateDisplacement(const InteractionForce* force, // NOLINTNEXTLINE(bugprone-easily-swappable-parameters) real_t CartCell::ConsumeSecreteSubstance(int substance_id, real_t old_concentration) { - real_t res = NAN; + real_t res = NAN; // NOLINT if (substance_id == oxygen_dgrid_->GetContinuumId()) { // consuming oxygen res = (old_concentration + constant1_oxygen_) / constant2_oxygen_; diff --git a/src/cart_cell.h b/src/cart_cell.h index 51c09f5..4878ab0 100644 --- a/src/cart_cell.h +++ b/src/cart_cell.h @@ -23,14 +23,11 @@ #define CART_CELL_H_ #include "core/agent/agent.h" -#include "core/agent/cell.h" #include "core/agent/new_agent_event.h" -#include "core/behavior/behavior.h" #include "core/container/math_array.h" #include "core/diffusion/diffusion_grid.h" #include "core/interaction_force.h" #include "core/real_t.h" -#include "core/util/root.h" #include "tumor_cell.h" @@ -62,8 +59,7 @@ class CartCell : public Cell { CartCell() = default; explicit CartCell(const Real3& position); - // Copy and move constructors/destructors (assignment operators are deleted by - // base class) + // Copy and move constructors/destructors/assignment operators CartCell(const CartCell&) = default; CartCell(CartCell&&) = default; ~CartCell() override = default; @@ -153,7 +149,8 @@ class CartCell : public Cell { /// @param relaxation_rate_fluid Relaxation rate for fluid volume changes void ChangeVolumeExponentialRelaxationEquation( real_t relaxation_rate_cytoplasm, real_t relaxation_rate_nucleus, - real_t relaxation_rate_fluid); + real_t + relaxation_rate_fluid); // NOLINT(bugprone-easily-swappable-parameters) /// Calculate displacement of the cell /// @@ -272,10 +269,11 @@ struct StateControlCart : public Behavior { StateControlCart() { AlwaysCopyToNew(); } - // Copy and move constructors/destructors (assignment operators handled by - // base class) + // Special member functions StateControlCart(const StateControlCart&) = default; StateControlCart(StateControlCart&&) = default; + StateControlCart& operator=(const StateControlCart&) = default; + StateControlCart& operator=(StateControlCart&&) = default; ~StateControlCart() override = default; /// Execute the state control behavior diff --git a/src/diffusion_thomas_algorithm.cc b/src/diffusion_thomas_algorithm.cc index 4cb9caf..f9f61b3 100644 --- a/src/diffusion_thomas_algorithm.cc +++ b/src/diffusion_thomas_algorithm.cc @@ -27,7 +27,6 @@ #include "core/agent/agent.h" #include "core/diffusion/diffusion_grid.h" #include "core/real_t.h" -#include "core/util/root.h" #include "cart_cell.h" #include "diffusion_thomas_algorithm.h" @@ -36,15 +35,15 @@ namespace bdm { -// NOLINTNEXTLINE(bugprone-easily-swappable-parameters) -DiffusionThomasAlgorithm::DiffusionThomasAlgorithm(int substance_id, +DiffusionThomasAlgorithm::DiffusionThomasAlgorithm(int substance_id, // NOLINT std::string substance_name, real_t dc, real_t mu, - int resolution, real_t dt, + real_t resolution, real_t dt, bool dirichlet_border) : DiffusionGrid(substance_id, std::move(substance_name), dc, mu, - resolution), - resolution_(static_cast(GetResolution())), + static_cast( + resolution)), // Added cast for consistency with parent + resolution_(GetResolution()), d_space_(static_cast(kBoundedSpaceLength) / static_cast(resolution_)), dirichlet_border_(dirichlet_border), @@ -88,7 +87,8 @@ void DiffusionThomasAlgorithm::InitializeThomasAlgorithmVectors( // Apply Dirichlet boundary conditions to the grid void DiffusionThomasAlgorithm::ApplyDirichletBoundaryConditions() { - const real_t origin = GetDimensionsPtr() + const auto* dimensions_ptr = GetDimensionsPtr(); + const real_t origin = dimensions_ptr [0]; // NOLINT(cppcoreguidelines-pro-bounds-pointer-arithmetic) const real_t simulated_time = GetSimulatedTime(); #pragma omp parallel @@ -165,14 +165,10 @@ void DiffusionThomasAlgorithm::ApplyDirichletBoundaryConditions() { // Sets the concentration at a specific voxel void DiffusionThomasAlgorithm::SetConcentration(size_t idx, real_t amount) { - const auto* all_concentrations = - GetAllConcentrations(); // NOLINT(cppcoreguidelines-pro-bounds-pointer-arithmetic) - ChangeConcentrationBy( - idx, - amount - - all_concentrations - [idx], // NOLINT(cppcoreguidelines-pro-bounds-pointer-arithmetic) - InteractionMode::kAdditive, false); + const auto* all_concentrations = GetAllConcentrations(); + const real_t current_concentration = all_concentrations[idx]; + ChangeConcentrationBy(idx, amount - current_concentration, + InteractionMode::kAdditive, false); } // Flattens the 3D coordinates (x, y, z) into a 1D index @@ -223,16 +219,29 @@ void DiffusionThomasAlgorithm::ApplyBoundaryConditionsIfNeeded() { } void DiffusionThomasAlgorithm::SolveDirectionThomas(unsigned int direction) { - const auto& thomas_denom = (direction == 0) ? thomas_denom_x_ - : (direction == 1) ? thomas_denom_y_ - : thomas_denom_z_; - const auto& thomas_c = (direction == 0) ? thomas_c_x_ - : (direction == 1) ? thomas_c_y_ - : thomas_c_z_; - const unsigned int jump = - (direction == 0) ? static_cast(jump_i_) - : (direction == 1) ? static_cast(jump_j_) - : static_cast(jump_k_); + const auto& thomas_denom = [this, direction]() -> const std::vector& { + if (direction == 0) + return thomas_denom_x_; + if (direction == 1) + return thomas_denom_y_; + return thomas_denom_z_; + }(); + + const auto& thomas_c = [this, direction]() -> const std::vector& { + if (direction == 0) + return thomas_c_x_; + if (direction == 1) + return thomas_c_y_; + return thomas_c_z_; + }(); + + const unsigned int jump = [this, direction]() -> unsigned int { + if (direction == 0) + return static_cast(jump_i_); + if (direction == 1) + return static_cast(jump_j_); + return static_cast(jump_k_); + }(); #pragma omp parallel for collapse(2) for (unsigned int outer = 0; outer < resolution_; outer++) { @@ -246,55 +255,46 @@ void DiffusionThomasAlgorithm::SolveDirectionThomas(unsigned int direction) { } } +// NOLINTNEXTLINE(bugprone-easily-swappable-parameters) void DiffusionThomasAlgorithm::ForwardElimination( unsigned int direction, unsigned int outer, unsigned int middle, const std::vector& thomas_denom, unsigned int jump) { // Get initial index based on direction size_t ind = GetLoopIndex(direction, outer, middle, 0); - const auto* all_concentrations = - GetAllConcentrations(); // NOLINT(cppcoreguidelines-pro-bounds-pointer-arithmetic) - SetConcentration( - ind, - all_concentrations[ind] / - thomas_denom - [0]); // NOLINT(cppcoreguidelines-pro-bounds-pointer-arithmetic) + const auto* all_concentrations = GetAllConcentrations(); + const real_t initial_concentration = all_concentrations[ind]; + SetConcentration(ind, initial_concentration / thomas_denom[0]); // Forward elimination loop for (unsigned int inner = 1; inner < resolution_; inner++) { ind = GetLoopIndex(direction, outer, middle, inner); - SetConcentration( - ind, - (all_concentrations - [ind] + // NOLINT(cppcoreguidelines-pro-bounds-pointer-arithmetic) - constant1_ * - all_concentrations - [ind - - jump]) / // NOLINT(cppcoreguidelines-pro-bounds-pointer-arithmetic) - thomas_denom[inner]); + const real_t current_concentration = all_concentrations[ind]; + const real_t prev_concentration = all_concentrations[ind - jump]; + SetConcentration(ind, + (current_concentration + constant1_ * prev_concentration) / + thomas_denom[inner]); } } +// NOLINTNEXTLINE(bugprone-easily-swappable-parameters) void DiffusionThomasAlgorithm::BackSubstitution( unsigned int direction, unsigned int outer, unsigned int middle, const std::vector& thomas_c, unsigned int jump) { - const auto* all_concentrations = - GetAllConcentrations(); // NOLINT(cppcoreguidelines-pro-bounds-pointer-arithmetic) + const auto* all_concentrations = GetAllConcentrations(); // Back substitution loop for (int inner = static_cast(resolution_) - 2; inner >= 0; inner--) { - size_t ind = GetLoopIndex(direction, outer, middle, - static_cast(inner)); + const size_t ind = GetLoopIndex(direction, outer, middle, + static_cast(inner)); + const real_t current_concentration = all_concentrations[ind]; + const real_t next_concentration = all_concentrations[ind + jump]; SetConcentration( - ind, - all_concentrations - [ind] - // NOLINT(cppcoreguidelines-pro-bounds-pointer-arithmetic) - thomas_c[static_cast(inner)] * - all_concentrations - [ind + - jump]); // NOLINT(cppcoreguidelines-pro-bounds-pointer-arithmetic) + ind, current_concentration - + thomas_c[static_cast(inner)] * next_concentration); } } +// NOLINTNEXTLINE(bugprone-easily-swappable-parameters) size_t DiffusionThomasAlgorithm::GetLoopIndex(unsigned int direction, unsigned int outer, unsigned int middle, diff --git a/src/diffusion_thomas_algorithm.h b/src/diffusion_thomas_algorithm.h index a8f71f7..94b2119 100644 --- a/src/diffusion_thomas_algorithm.h +++ b/src/diffusion_thomas_algorithm.h @@ -49,16 +49,10 @@ class DiffusionThomasAlgorithm : public DiffusionGrid { constant1a_(0.0), constant2_(0.0), constant3_(0.0), - constant3a_(0.0), - thomas_c_x_(), - thomas_denom_x_(), - thomas_c_y_(), - thomas_denom_y_(), - thomas_c_z_(), - thomas_denom_z_() {} + constant3a_(0.0) {} DiffusionThomasAlgorithm(int substance_id, std::string substance_name, - real_t dc, real_t mu, int resolution, real_t dt, + real_t dc, real_t mu, real_t resolution, real_t dt, bool dirichlet_border); /// Concentration setters diff --git a/src/forces_tumor_cart.cc b/src/forces_tumor_cart.cc index 5f94541..0733d5b 100644 --- a/src/forces_tumor_cart.cc +++ b/src/forces_tumor_cart.cc @@ -22,7 +22,10 @@ #include #include +#include "core/agent/agent.h" +#include "core/agent/cell.h" #include "core/container/math_array.h" +#include "core/interaction_force.h" #include "core/real_t.h" #include "forces_tumor_cart.h" @@ -112,10 +115,11 @@ Real4 InteractionVelocity::Calculate(const Agent* lhs, const Agent* rhs) const { // std::cout << "temp_a = " << temp_a << std::endl;// Debug output - real_t adhesion; - if (a_tumor && b_tumor) { // two tumor cells + real_t adhesion = NAN; // Initialize to NAN + if ((a_tumor != nullptr) && (b_tumor != nullptr)) { // two tumor cells adhesion = kAdhesionTumorTumor; - } else if (!a_tumor && !b_tumor) { // two CAR-T cells + } else if ((a_tumor == nullptr) && + (b_tumor == nullptr)) { // two CAR-T cells adhesion = kAdhesionCartCart; } else { // one tumor cell and one CAR-T adhesion = std::sqrt(kAdhesionCartTumor * kAdhesionTumorCart); @@ -133,7 +137,7 @@ Real4 InteractionVelocity::Calculate(const Agent* lhs, const Agent* rhs) const { if (std::abs(temp_r) < kEpsilon) { return {0.0, 0.0, 0.0, 0.0}; } - real_t force_magnitude = temp_r / distance; + const real_t force_magnitude = temp_r / distance; // Debug Output volcities // std::ofstream file("output/intercation_velocities.csv", std::ios::app); diff --git a/src/tumor_cell.cc b/src/tumor_cell.cc index ced232c..69ee106 100644 --- a/src/tumor_cell.cc +++ b/src/tumor_cell.cc @@ -39,28 +39,7 @@ namespace bdm { -TumorCell::TumorCell(const Real3& position) - : state_(TumorCellState::kAlive), - timer_state_(0), - oxygen_dgrid_(nullptr), - immunostimulatory_factor_dgrid_(nullptr), - oncoproteine_level_(0.0), - transformation_random_rate_(0.0), - attached_to_cart_(false), - fluid_fraction_(0.0), - nuclear_volume_(0.0), - target_cytoplasm_solid_(0.0), - target_nucleus_solid_(0.0), - target_fraction_fluid_(0.0), - target_relation_cytoplasm_nucleus_(0.0), - type_(TumorCellType::kType0), - older_velocity_{0, 0, 0}, - oxygen_consumption_rate_(0.0), - immunostimulatory_factor_secretion_rate_(0.0), - constant1_oxygen_(0.0), - constant2_oxygen_(0.0), - constant1_immunostimulatory_factor_(0.0), - constant2_immunostimulatory_factor_(0.0) { +TumorCell::TumorCell(const Real3& position) { SetPosition(position); // volumes @@ -200,8 +179,8 @@ void TumorCell::SetTransformationRandomRate() { (std::max( SamplePositiveGaussian(kAverageTimeTransformationRandomRate, kStandardDeviationTransformationRandomRate) * - 60., - kEpsilon)); // NOLINT(cppcoreguidelines-avoid-magic-numbers,readability-magic-numbers) + 60., // NOLINT(cppcoreguidelines-avoid-magic-numbers,readability-magic-numbers) + kEpsilon)); } real_t TumorCell::GetTargetTotalVolume() const { @@ -215,7 +194,7 @@ real_t TumorCell::GetTargetTotalVolume() const { // over time. The relaxations rate controls the speed of convergence // NOLINTNEXTLINE(bugprone-easily-swappable-parameters) void TumorCell::ChangeVolumeExponentialRelaxationEquation( - real_t relaxation_rate_cytoplasm, real_t relaxation_rate_nucleus, + real_t relaxation_rate_cytoplasm, real_t relaxation_rate_nucleus, // NOLINT real_t relaxation_rate_fluid) { // Exponential relaxation towards the target volume const real_t current_total_volume = GetVolume(); @@ -451,7 +430,7 @@ void StateControlGrowProliferate::Run(Agent* agent) { case TumorCellState::kAlive: { // the cell is growing to real_t its size // before mitosis cell->SetTimerState( - static_cast(cell->GetTimerState()) + + cell->GetTimerState() + kDtCycle); // Increase timer_state to track time in this state // (kDtCycle minutes per step) @@ -466,7 +445,7 @@ void StateControlGrowProliferate::Run(Agent* agent) { case TumorCellState::kNecroticSwelling: { // the cell is swelling before // lysing cell->SetTimerState( - static_cast(cell->GetTimerState()) + + cell->GetTimerState() + kDtCycle); // Increase timer_state to track time in this state // (kDtCycle minutes per step) // volume change @@ -501,7 +480,7 @@ void StateControlGrowProliferate::Run(Agent* agent) { case TumorCellState::kNecroticLysed: { // the cell is shirinking and will // be removed after a certain time cell->SetTimerState( - static_cast(cell->GetTimerState()) + + cell->GetTimerState() + kDtCycle); // Increase timer_state to track time in this state // (kDtCycle minutes per step) // volume change @@ -534,7 +513,7 @@ void StateControlGrowProliferate::Run(Agent* agent) { // cell->SetType(5); // Set type to 5 to indicate dead cell cell->SetTimerState( - static_cast(cell->GetTimerState()) + + cell->GetTimerState() + kDtCycle); // Increase timer_state to track time in this state // (kDtCycle minutes per step) // volume change CHANGe check if it should indeed be reduced to 0 @@ -568,15 +547,13 @@ void StateControlGrowProliferate::Run(Agent* agent) { // ManageLivingCell function to handle living cell behavior void StateControlGrowProliferate::ManageLivingCell(TumorCell* cell, real_t oxygen_level) { - real_t multiplier; - real_t final_rate_transition; + real_t multiplier = 1.0; // Initialize multiplier // volume change cell->ChangeVolumeExponentialRelaxationEquation( kVolumeRelaxarionRateAliveCytoplasm, kVolumeRelaxarionRateAliveNucleus, kVolumeRelaxarionRateAliveFluid); // The cell grows to real_t its // size // cell state control - multiplier = 1.0; // Default multiplier for transition cycle if (oxygen_level < kOxygenSaturationInProliferation) { // oxygen threshold for // considering an effect on the @@ -590,7 +567,7 @@ void StateControlGrowProliferate::ManageLivingCell(TumorCell* cell, } // double multiplier1 = multiplier; //Debug - final_rate_transition = + const real_t final_rate_transition = cell->GetTransformationRandomRate() * multiplier * cell->GetOncoproteineLevel(); // Calculate the rate of state change // based on oxygen level and @@ -608,42 +585,6 @@ void StateControlGrowProliferate::ManageLivingCell(TumorCell* cell, // } // End Debug - // Debug Debug Output params - // std::ofstream file2("output/params_o2_oncoproteine.csv", - // std::ios::app); if (file2.is_open()) { - - // // Write data to CSV file - // file2 << currennt_time << ",multiplier1," - // << multiplier1 << ",multiplier2," - // << multiplier2 << ",transition_rate," - // << final_rate_transition - // <<"\n"; - // } - // End Debug Output - // End Debug - - // //volume change - // cell->ChangeVolumeExponentialRelaxationEquation(kVolumeRelaxarionRateAliveCytoplasm, - // kVolumeRelaxarionRateAliveNucleus, - // kVolumeRelaxarionRateAliveFluid); - // // The cell grows to - // real_t its size - // //cell state control - // multiplier = 1.0; // Default multiplier for transition cycle - // if (oxygen_level < kOxygenSaturationInProliferation) {//oxygen - // threshold for considering an effect on the proliferation cycle - // multiplier = - // (oxygen_level-kOxygenLimitForProliferation)/(kOxygenSaturationInProliferation-kOxygenLimitForProliferation); - // } - // if(oxygen_level < kOxygenLimitForProliferation) { - // multiplier = 0.0; // If oxygen is below the limit, set multiplier - // to 0 - // } - - // final_rate_transition= cell->GetTransformationRandomRate() * - // multiplier * cell->GetOncoproteineLevel(); // Calculate the rate of - // state change based on oxygen level and oncoproteine (min^-1) - real_t time_to_wait = kTimeTooLarge; // Set a very large time to avoid division by zero if (final_rate_transition > 0) { @@ -677,14 +618,14 @@ bool StateControlGrowProliferate::ShouldEnterNecrosis(real_t oxygen_level, multiplier = 1.0; } - real_t probability_necrosis = + const real_t probability_necrosis = kDtCycle // multiply by kDtCycle since each timestep is kDtCycle minutes * kMaximumNecrosisRate * multiplier; // Calculate the probability of // necrosis based on oxygen level auto* sim = Simulation::GetActive(); auto* random = sim->GetRandom(); - bool enter_necrosis = random->Uniform(0, 1) < probability_necrosis; + const bool enter_necrosis = random->Uniform(0, 1) < probability_necrosis; if (enter_necrosis) { // If the random number is less than the probability, // enter necrosis cell->SetState(TumorCellState::kNecroticSwelling); // If oxygen is too low, diff --git a/src/tumor_cell.h b/src/tumor_cell.h index 4932ca3..23fd270 100644 --- a/src/tumor_cell.h +++ b/src/tumor_cell.h @@ -32,7 +32,6 @@ #include "core/real_t.h" #include "core/resource_manager.h" #include "core/scheduler.h" -#include "core/util/root.h" namespace bdm { @@ -87,36 +86,18 @@ class TumorCell : public Cell { BDM_AGENT_HEADER(TumorCell, Cell, 1); public: - TumorCell() - : state_(TumorCellState::kAlive), - timer_state_(0), - oxygen_dgrid_(nullptr), - immunostimulatory_factor_dgrid_(nullptr), - oncoproteine_level_(0.0), - transformation_random_rate_(0.0), - attached_to_cart_(false), - fluid_fraction_(0.0), - nuclear_volume_(0.0), - target_cytoplasm_solid_(0.0), - target_nucleus_solid_(0.0), - target_fraction_fluid_(0.0), - target_relation_cytoplasm_nucleus_(0.0), - type_(TumorCellType::kType0), - oxygen_consumption_rate_(0.0), - immunostimulatory_factor_secretion_rate_(0.0), - constant1_oxygen_(0.0), - constant2_oxygen_(0.0), - constant1_immunostimulatory_factor_(0.0), - constant2_immunostimulatory_factor_(0.0) {} + TumorCell() = default; explicit TumorCell(const Real3& position); // Special member functions TumorCell(const TumorCell&) = default; TumorCell(TumorCell&&) = default; - ~TumorCell() override = default; + // NOLINTNEXTLINE(cppcoreguidelines-special-member-functions) + // Assignment operators are implicitly deleted due to base class (Cell/Agent) + /// Called when a new agent is created (after cell division) /// @param event The new agent event containing initialization data void Initialize(const NewAgentEvent& event) override; @@ -312,7 +293,7 @@ class TumorCell : public Cell { /// Velocity of the cell in the previous time step // NOLINTNEXTLINE(readability-identifier-naming) - Real3 older_velocity_ = {}; + Real3 older_velocity_; /// Rate of oxygen consumption by the cell // NOLINTNEXTLINE(readability-identifier-naming) diff --git a/src/utils_aux.cc b/src/utils_aux.cc index e366fc7..c9530c5 100644 --- a/src/utils_aux.cc +++ b/src/utils_aux.cc @@ -21,7 +21,6 @@ #include #include -#include #include #include #include @@ -71,9 +70,9 @@ std::vector CreateSphereOfTumorCells(real_t sphere_radius) { 3.0); // NOLINT(cppcoreguidelines-avoid-magic-numbers,readability-magic-numbers) // Use integer counters instead of floating-point loop variables - int z_steps = static_cast((2 * sphere_radius) / spacing_z) + 1; - int x_steps = static_cast((2 * sphere_radius) / spacing_x) + 1; - int y_steps = static_cast((2 * sphere_radius) / spacing_y) + 1; + const int z_steps = static_cast((2 * sphere_radius) / spacing_z) + 1; + const int x_steps = static_cast((2 * sphere_radius) / spacing_x) + 1; + const int y_steps = static_cast((2 * sphere_radius) / spacing_y) + 1; for (int zi = 0; zi < z_steps; ++zi) { const real_t z = -sphere_radius + zi * spacing_z; diff --git a/src/utils_aux.h b/src/utils_aux.h index 7d1ce5c..f94486e 100644 --- a/src/utils_aux.h +++ b/src/utils_aux.h @@ -83,7 +83,7 @@ struct OutputSummary : public StandaloneOperationImpl { public: void SetFrequency(uint64_t frequency) { frequency_ = frequency; } - uint64_t GetFrequency() const { return frequency_; } + [[nodiscard]] uint64_t GetFrequency() const { return frequency_; } private: /// Frequency of output (every N simulation steps) From 71f85b4807a0d0dae49a25963b4ddf07daf6360c Mon Sep 17 00:00:00 2001 From: =?UTF-8?q?Salvador=20de=20la=20Torre=20Gonz=C3=A1lez?= <91910656+salva24@users.noreply.github.com> Date: Sat, 30 Aug 2025 17:38:49 +0200 Subject: [PATCH 43/47] Update src/diffusion_thomas_algorithm.cc Co-authored-by: github-actions[bot] <41898282+github-actions[bot]@users.noreply.github.com> --- src/diffusion_thomas_algorithm.cc | 2 ++ 1 file changed, 2 insertions(+) diff --git a/src/diffusion_thomas_algorithm.cc b/src/diffusion_thomas_algorithm.cc index f9f61b3..fba4f77 100644 --- a/src/diffusion_thomas_algorithm.cc +++ b/src/diffusion_thomas_algorithm.cc @@ -237,7 +237,9 @@ void DiffusionThomasAlgorithm::SolveDirectionThomas(unsigned int direction) { const unsigned int jump = [this, direction]() -> unsigned int { if (direction == 0) + if (direction == 0) { return static_cast(jump_i_); +} if (direction == 1) return static_cast(jump_j_); return static_cast(jump_k_); From 7b9bc3c5b249c618ab1e78ba3c961fb589078fe9 Mon Sep 17 00:00:00 2001 From: salva24 Date: Sat, 30 Aug 2025 18:12:13 +0200 Subject: [PATCH 44/47] third try ttidy and format --- src/cart_cell.h | 2 ++ src/diffusion_thomas_algorithm.cc | 22 +++++++++++++++------- src/tumor_cell.cc | 2 +- src/tumor_cell.h | 10 +++++----- 4 files changed, 23 insertions(+), 13 deletions(-) diff --git a/src/cart_cell.h b/src/cart_cell.h index 4878ab0..d370054 100644 --- a/src/cart_cell.h +++ b/src/cart_cell.h @@ -23,7 +23,9 @@ #define CART_CELL_H_ #include "core/agent/agent.h" +#include "core/agent/cell.h" #include "core/agent/new_agent_event.h" +#include "core/behavior/behavior.h" #include "core/container/math_array.h" #include "core/diffusion/diffusion_grid.h" #include "core/interaction_force.h" diff --git a/src/diffusion_thomas_algorithm.cc b/src/diffusion_thomas_algorithm.cc index fba4f77..c8dc20b 100644 --- a/src/diffusion_thomas_algorithm.cc +++ b/src/diffusion_thomas_algorithm.cc @@ -35,6 +35,7 @@ namespace bdm { +// NOLINTNEXTLINE(bugprone-easily-swappable-parameters) DiffusionThomasAlgorithm::DiffusionThomasAlgorithm(int substance_id, // NOLINT std::string substance_name, real_t dc, real_t mu, @@ -220,28 +221,35 @@ void DiffusionThomasAlgorithm::ApplyBoundaryConditionsIfNeeded() { void DiffusionThomasAlgorithm::SolveDirectionThomas(unsigned int direction) { const auto& thomas_denom = [this, direction]() -> const std::vector& { - if (direction == 0) + if (direction == 0) { return thomas_denom_x_; - if (direction == 1) + } + if (direction == 1) { return thomas_denom_y_; + } + // direction == 2 return thomas_denom_z_; }(); const auto& thomas_c = [this, direction]() -> const std::vector& { - if (direction == 0) + if (direction == 0) { return thomas_c_x_; - if (direction == 1) + } + if (direction == 1) { return thomas_c_y_; + } + // direction == 2 return thomas_c_z_; }(); const unsigned int jump = [this, direction]() -> unsigned int { - if (direction == 0) if (direction == 0) { return static_cast(jump_i_); -} - if (direction == 1) + } + if (direction == 1) { return static_cast(jump_j_); + } + // direction == 2 return static_cast(jump_k_); }(); diff --git a/src/tumor_cell.cc b/src/tumor_cell.cc index 69ee106..29d3fdb 100644 --- a/src/tumor_cell.cc +++ b/src/tumor_cell.cc @@ -604,7 +604,7 @@ void StateControlGrowProliferate::ManageLivingCell(TumorCell* cell, // computes the probability of the cell entering necrosis bool StateControlGrowProliferate::ShouldEnterNecrosis(real_t oxygen_level, - TumorCell* cell) const { + TumorCell* cell) { // necrosis probability real_t multiplier = 0.0; // Default multiplier for necrosis probability diff --git a/src/tumor_cell.h b/src/tumor_cell.h index 23fd270..2dad7bb 100644 --- a/src/tumor_cell.h +++ b/src/tumor_cell.h @@ -106,8 +106,8 @@ class TumorCell : public Cell { void SetState(TumorCellState state) { state_ = state; } TumorCellState GetState() const { return state_; } - void SetTimerState(int timer_state) { timer_state_ = timer_state; } - int GetTimerState() const { return timer_state_; } + void SetTimerState(real_t timer_state) { timer_state_ = timer_state; } + real_t GetTimerState() const { return timer_state_; } void SetOncoproteineLevel(real_t level); real_t GetOncoproteineLevel() const { return oncoproteine_level_; } @@ -234,7 +234,7 @@ class TumorCell : public Cell { /// Timer to track time in the current state (in minutes) // NOLINTNEXTLINE(readability-identifier-naming) - int timer_state_ = 0; + real_t timer_state_ = 0; /// Pointer to the oxygen diffusion grid // NOLINTNEXTLINE(readability-identifier-naming) @@ -355,13 +355,13 @@ struct StateControlGrowProliferate : public Behavior { /// @param oxygen_level Current oxygen concentration at the cell's location /// @param cell Pointer to the tumor cell being evaluated /// @return True if the cell should enter necrosis, false otherwise - bool ShouldEnterNecrosis(real_t oxygen_level, TumorCell* cell) const; + static bool ShouldEnterNecrosis(real_t oxygen_level, TumorCell* cell); /// Manage the behavior of a living tumor cell /// /// @param cell Pointer to the tumor cell being managed /// @param oxygen_level Current oxygen concentration at the cell's location - void ManageLivingCell(TumorCell* cell, real_t oxygen_level); + static void ManageLivingCell(TumorCell* cell, real_t oxygen_level); }; } // namespace bdm From b14d5c11cf0c51c03c228f19c162fde55d623eff Mon Sep 17 00:00:00 2001 From: salva24 Date: Sat, 30 Aug 2025 18:34:18 +0200 Subject: [PATCH 45/47] =?UTF-8?q?4=C2=BA=20try=20ttidy=20and=20format?= MIME-Version: 1.0 Content-Type: text/plain; charset=UTF-8 Content-Transfer-Encoding: 8bit --- src/cart_cell.cc | 2 -- src/diffusion_thomas_algorithm.cc | 12 +++++++----- src/tumor_cell.cc | 1 + src/tumor_cell.h | 1 - src/utils_aux.cc | 1 + 5 files changed, 9 insertions(+), 8 deletions(-) diff --git a/src/cart_cell.cc b/src/cart_cell.cc index 7beb1c0..b18c66d 100644 --- a/src/cart_cell.cc +++ b/src/cart_cell.cc @@ -26,9 +26,7 @@ #include #include "core/agent/agent.h" -#include "core/agent/cell.h" #include "core/agent/new_agent_event.h" -#include "core/behavior/behavior.h" #include "core/container/math_array.h" #include "core/diffusion/diffusion_grid.h" #include "core/functor.h" diff --git a/src/diffusion_thomas_algorithm.cc b/src/diffusion_thomas_algorithm.cc index c8dc20b..2b16aa7 100644 --- a/src/diffusion_thomas_algorithm.cc +++ b/src/diffusion_thomas_algorithm.cc @@ -27,6 +27,7 @@ #include "core/agent/agent.h" #include "core/diffusion/diffusion_grid.h" #include "core/real_t.h" +#include "core/resource_manager.h" #include "cart_cell.h" #include "diffusion_thomas_algorithm.h" @@ -36,11 +37,12 @@ namespace bdm { // NOLINTNEXTLINE(bugprone-easily-swappable-parameters) -DiffusionThomasAlgorithm::DiffusionThomasAlgorithm(int substance_id, // NOLINT - std::string substance_name, - real_t dc, real_t mu, - real_t resolution, real_t dt, - bool dirichlet_border) +DiffusionThomasAlgorithm::DiffusionThomasAlgorithm( + int substance_id, // NOLINT + std::string substance_name, // NOLINT + real_t dc, real_t mu, // NOLINT + real_t resolution, real_t dt, // NOLINT + bool dirichlet_border) // NOLINT : DiffusionGrid(substance_id, std::move(substance_name), dc, mu, static_cast( resolution)), // Added cast for consistency with parent diff --git a/src/tumor_cell.cc b/src/tumor_cell.cc index 29d3fdb..3540be6 100644 --- a/src/tumor_cell.cc +++ b/src/tumor_cell.cc @@ -31,6 +31,7 @@ #include "core/functor.h" #include "core/interaction_force.h" #include "core/real_t.h" +#include "core/resource_manager.h" #include "core/util/log.h" #include "hyperparams.h" diff --git a/src/tumor_cell.h b/src/tumor_cell.h index 2dad7bb..82edde3 100644 --- a/src/tumor_cell.h +++ b/src/tumor_cell.h @@ -30,7 +30,6 @@ #include "core/diffusion/diffusion_grid.h" #include "core/interaction_force.h" #include "core/real_t.h" -#include "core/resource_manager.h" #include "core/scheduler.h" namespace bdm { diff --git a/src/utils_aux.cc b/src/utils_aux.cc index c9530c5..854031a 100644 --- a/src/utils_aux.cc +++ b/src/utils_aux.cc @@ -29,6 +29,7 @@ #include "core/agent/agent.h" #include "core/container/math_array.h" #include "core/real_t.h" +#include "core/resource_manager.h" #include "core/util/math.h" #include "hyperparams.h" From bc53f553046154cb9354083423656a7b0ad96701 Mon Sep 17 00:00:00 2001 From: salva24 Date: Sat, 30 Aug 2025 20:16:23 +0200 Subject: [PATCH 46/47] =?UTF-8?q?5=C2=BA=20try=20tidy=20and=20format?= MIME-Version: 1.0 Content-Type: text/plain; charset=UTF-8 Content-Transfer-Encoding: 8bit --- src/cart_tumor.cc | 53 +++++++++++++++++++++++----------------- src/forces_tumor_cart.cc | 2 +- src/hyperparams.h | 5 ++++ src/tumor_cell.cc | 11 ++++----- src/utils_aux.cc | 8 ++---- 5 files changed, 44 insertions(+), 35 deletions(-) diff --git a/src/cart_tumor.cc b/src/cart_tumor.cc index a987fb8..10ac19e 100644 --- a/src/cart_tumor.cc +++ b/src/cart_tumor.cc @@ -64,8 +64,10 @@ int Simulate(int argc, const char** argv) { auto* scheduler = simulation.GetScheduler(); auto* op = scheduler->GetOps("mechanical forces")[0]; + std::unique_ptr interaction_velocity = + std::make_unique(); op->GetImplementation()->SetInteractionForce( - new InteractionVelocity()); + interaction_velocity.release()); auto* env = dynamic_cast( Simulation::GetActive()->GetEnvironment()); @@ -78,24 +80,26 @@ int Simulate(int argc, const char** argv) { // Oxygen // substance_id, name, diffusion_coefficient, decay_constant, resolution, // time_step - auto* oxygen_grid = new DiffusionThomasAlgorithm( - kOxygen, "oxygen", - kDiffusionCoefficientOxygen, // 100000 micrometers^2/minute - kDecayConstantOxygen, // 0.1 minutes^-1 - kResolutionGridSubstances, kDtSubstances, - true); // true indicates Dirichlet border conditions - rm->AddContinuum(oxygen_grid); + std::unique_ptr oxygen_grid = + std::make_unique( + kOxygen, "oxygen", + kDiffusionCoefficientOxygen, // 100000 micrometers^2/minute + kDecayConstantOxygen, // 0.1 minutes^-1 + kResolutionGridSubstances, kDtSubstances, + true); // true indicates Dirichlet border conditions + rm->AddContinuum(oxygen_grid.release()); // Immunostimulatory Factor // substance_id, name, diffusion_coefficient, decay_constant, resolution - auto* immunostimulatory_factor_grid = new DiffusionThomasAlgorithm( - kImmunostimulatoryFactor, "immunostimulatory_factor", - kDiffusionCoefficientImmunostimulatoryFactor, // 1000 - // micrometers^2/minute - kDecayConstantImmunostimulatoryFactor, // 0.016 minutes^-1 - kResolutionGridSubstances, kDtSubstances, - false); // false indicates Neumann border conditions - rm->AddContinuum(immunostimulatory_factor_grid); + std::unique_ptr immunostimulatory_factor_grid = + std::make_unique( + kImmunostimulatoryFactor, "immunostimulatory_factor", + kDiffusionCoefficientImmunostimulatoryFactor, // 1000 + // micrometers^2/minute + kDecayConstantImmunostimulatoryFactor, // 0.016 minutes^-1 + kResolutionGridSubstances, kDtSubstances, + false); // false indicates Neumann border conditions + rm->AddContinuum(immunostimulatory_factor_grid.release()); // Boundary Conditions Dirichlet: simulating absorption or total loss at the // boundaries of the space. @@ -124,15 +128,20 @@ int Simulate(int argc, const char** argv) { const std::vector positions = CreateSphereOfTumorCells(kInitialRadiusTumor); for (const auto& pos : positions) { - auto* tumor_cell = new TumorCell(pos); - tumor_cell->AddBehavior(new StateControlGrowProliferate()); - ctxt->AddAgent(tumor_cell); + std::unique_ptr tumor_cell = std::make_unique(pos); + std::unique_ptr state_control = + std::make_unique(); + tumor_cell->AddBehavior(state_control.release()); + ctxt->AddAgent(tumor_cell.release()); } // OutputSummary operation - auto* summary_op = new bdm::Operation("OutputSummary", kOutputCsvInterval); - summary_op->AddOperationImpl(bdm::kCpu, new bdm::OutputSummary()); - scheduler->ScheduleOp(summary_op); + std::unique_ptr summary_op = + std::make_unique("OutputSummary", kOutputCsvInterval); + std::unique_ptr output_summary = + std::make_unique(); + summary_op->AddOperationImpl(bdm::kCpu, output_summary.release()); + scheduler->ScheduleOp(summary_op.release()); // Run simulation // simulate kTotalMinutesToSimulate minutes including the last minute diff --git a/src/forces_tumor_cart.cc b/src/forces_tumor_cart.cc index 0733d5b..ba12d2e 100644 --- a/src/forces_tumor_cart.cc +++ b/src/forces_tumor_cart.cc @@ -169,7 +169,7 @@ Real4 InteractionVelocity::Calculate(const Agent* lhs, const Agent* rhs) const { } InteractionForce* InteractionVelocity::NewCopy() const { - return new InteractionVelocity(); + return std::make_unique().release(); } } // namespace bdm \ No newline at end of file diff --git a/src/hyperparams.h b/src/hyperparams.h index 69b0d33..c7b609e 100644 --- a/src/hyperparams.h +++ b/src/hyperparams.h @@ -209,6 +209,11 @@ constexpr real_t kDold = -0.5 * kDtMechanics; /// Large time to avoid division by 0 constexpr real_t kTimeTooLarge = 1e100; +/// Minutes in an hour +constexpr real_t kMinutesInAnHour = 60.0; +/// Hours in a day +constexpr real_t kHoursInADay = 24.0; + /// Do not change this line const size_t gKLengthBoxMechanics = 22; // Length of the box for mechanics in micrometers diff --git a/src/tumor_cell.cc b/src/tumor_cell.cc index 3540be6..4c4f718 100644 --- a/src/tumor_cell.cc +++ b/src/tumor_cell.cc @@ -176,12 +176,11 @@ void TumorCell::SetOncoproteineLevel(real_t level) { void TumorCell::SetTransformationRandomRate() { // avoid division by zero transformation_random_rate_ = - 1 / - (std::max( - SamplePositiveGaussian(kAverageTimeTransformationRandomRate, - kStandardDeviationTransformationRandomRate) * - 60., // NOLINT(cppcoreguidelines-avoid-magic-numbers,readability-magic-numbers) - kEpsilon)); + 1 / (std::max(SamplePositiveGaussian( + kAverageTimeTransformationRandomRate, + kStandardDeviationTransformationRandomRate) * + kMinutesInAnHour, + kEpsilon)); } real_t TumorCell::GetTargetTotalVolume() const { diff --git a/src/utils_aux.cc b/src/utils_aux.cc index 854031a..a24138b 100644 --- a/src/utils_aux.cc +++ b/src/utils_aux.cc @@ -178,12 +178,8 @@ void OutputSummary::operator()() { // Calculate time in days, hours, minutes const double total_minutes = Simulation::GetActive()->GetScheduler()->GetSimulatedTime(); - const double total_hours = - total_minutes / - 60.0; // NOLINT(cppcoreguidelines-avoid-magic-numbers,readability-magic-numbers) - const double total_days = - total_hours / - 24.0; // NOLINT(cppcoreguidelines-avoid-magic-numbers,readability-magic-numbers) + const double total_hours = total_minutes / kMinutesInAnHour; + const double total_days = total_hours / kHoursInADay; // Count total cells, tumor cells of each type and tumor radius size_t total_num_tumor_cells = 0; From a01b5082eb2e432afa929447f000c358c9609252 Mon Sep 17 00:00:00 2001 From: salva24 Date: Sat, 30 Aug 2025 20:30:31 +0200 Subject: [PATCH 47/47] =?UTF-8?q?6=C2=BA=20try=20tidy=20and=20format?= MIME-Version: 1.0 Content-Type: text/plain; charset=UTF-8 Content-Transfer-Encoding: 8bit --- src/forces_tumor_cart.cc | 1 + 1 file changed, 1 insertion(+) diff --git a/src/forces_tumor_cart.cc b/src/forces_tumor_cart.cc index ba12d2e..9dc9359 100644 --- a/src/forces_tumor_cart.cc +++ b/src/forces_tumor_cart.cc @@ -21,6 +21,7 @@ #include #include +#include #include "core/agent/agent.h" #include "core/agent/cell.h"

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