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mrbuchemrbuche
committed
added extremum thing to force, but not Laplace; seems to fail as often or even less often than absolute free energies; overall still some finnickiness
1 parent 720780b commit fda75f2

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-44
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+44
-44
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‎src/physics/single_chain/wlc/thermodynamics/test.jl‎

Lines changed: 22 additions & 22 deletions
Original file line numberDiff line numberDiff line change
@@ -104,7 +104,7 @@ end
104104

105105
@testset "physics::single_chain::wlc::thermodynamics::test::thermodynamic_limit::end_to_end_length" begin
106106
for _ = 1:parameters.number_of_loops
107-
number_of_links = parameters.number_of_links_minimum
107+
number_of_links = parameters.number_of_links_maximum
108108
link_length =
109109
parameters.link_length_reference + parameters.link_length_scale * (0.5 - rand())
110110
hinge_mass =
@@ -131,7 +131,7 @@ end
131131

132132
@testset "physics::single_chain::wlc::thermodynamics::test::thermodynamic_limit::end_to_end_length_per_link" begin
133133
for _ = 1:parameters.number_of_loops
134-
number_of_links = parameters.number_of_links_minimum
134+
number_of_links = parameters.number_of_links_maximum
135135
link_length =
136136
parameters.link_length_reference + parameters.link_length_scale * (0.5 - rand())
137137
hinge_mass =
@@ -160,7 +160,7 @@ end
160160

161161
@testset "physics::single_chain::wlc::thermodynamics::test::thermodynamic_limit::nondimensional_end_to_end_length" begin
162162
for _ = 1:parameters.number_of_loops
163-
number_of_links = parameters.number_of_links_minimum
163+
number_of_links = parameters.number_of_links_maximum
164164
link_length =
165165
parameters.link_length_reference + parameters.link_length_scale * (0.5 - rand())
166166
hinge_mass =
@@ -188,7 +188,7 @@ end
188188

189189
@testset "physics::single_chain::wlc::thermodynamics::test::thermodynamic_limit::nondimensional_end_to_end_length_per_link" begin
190190
for _ = 1:parameters.number_of_loops
191-
number_of_links = parameters.number_of_links_minimum
191+
number_of_links = parameters.number_of_links_maximum
192192
link_length =
193193
parameters.link_length_reference + parameters.link_length_scale * (0.5 - rand())
194194
hinge_mass =
@@ -217,7 +217,7 @@ end
217217

218218
@testset "physics::single_chain::wlc::thermodynamics::test::thermodynamic_limit::force" begin
219219
for _ = 1:parameters.number_of_loops
220-
number_of_links = parameters.number_of_links_minimum
220+
number_of_links = parameters.number_of_links_maximum
221221
link_length =
222222
parameters.link_length_reference + parameters.link_length_scale * (0.5 - rand())
223223
hinge_mass =
@@ -243,7 +243,7 @@ end
243243

244244
@testset "physics::single_chain::wlc::thermodynamics::test::thermodynamic_limit::nondimensional_force" begin
245245
for _ = 1:parameters.number_of_loops
246-
number_of_links = parameters.number_of_links_minimum
246+
number_of_links = parameters.number_of_links_maximum
247247
link_length =
248248
parameters.link_length_reference + parameters.link_length_scale * (0.5 - rand())
249249
hinge_mass =
@@ -270,7 +270,7 @@ end
270270

271271
@testset "physics::single_chain::wlc::thermodynamics::test::thermodynamic_limit::helmholtz_free_energy" begin
272272
for _ = 1:parameters.number_of_loops
273-
number_of_links = parameters.number_of_links_minimum
273+
number_of_links = parameters.number_of_links_maximum
274274
link_length =
275275
parameters.link_length_reference + parameters.link_length_scale * (0.5 - rand())
276276
hinge_mass =
@@ -301,7 +301,7 @@ end
301301

302302
@testset "physics::single_chain::wlc::thermodynamics::test::thermodynamic_limit::helmholtz_free_energy_per_link" begin
303303
for _ = 1:parameters.number_of_loops
304-
number_of_links = parameters.number_of_links_minimum
304+
number_of_links = parameters.number_of_links_maximum
305305
link_length =
306306
parameters.link_length_reference + parameters.link_length_scale * (0.5 - rand())
307307
hinge_mass =
@@ -333,7 +333,7 @@ end
333333

334334
@testset "physics::single_chain::wlc::thermodynamics::test::thermodynamic_limit::relative_helmholtz_free_energy" begin
335335
for _ = 1:parameters.number_of_loops
336-
number_of_links = parameters.number_of_links_minimum
336+
number_of_links = parameters.number_of_links_maximum
337337
link_length =
338338
parameters.link_length_reference + parameters.link_length_scale * (0.5 - rand())
339339
hinge_mass =
@@ -364,7 +364,7 @@ end
364364

365365
@testset "physics::single_chain::wlc::thermodynamics::test::thermodynamic_limit::relative_helmholtz_free_energy_per_link" begin
366366
for _ = 1:parameters.number_of_loops
367-
number_of_links = parameters.number_of_links_minimum
367+
number_of_links = parameters.number_of_links_maximum
368368
link_length =
369369
parameters.link_length_reference + parameters.link_length_scale * (0.5 - rand())
370370
hinge_mass =
@@ -401,7 +401,7 @@ end
401401

402402
@testset "physics::single_chain::wlc::thermodynamics::test::thermodynamic_limit::nondimensional_helmholtz_free_energy" begin
403403
for _ = 1:parameters.number_of_loops
404-
number_of_links = parameters.number_of_links_minimum
404+
number_of_links = parameters.number_of_links_maximum
405405
link_length =
406406
parameters.link_length_reference + parameters.link_length_scale * (0.5 - rand())
407407
hinge_mass =
@@ -439,7 +439,7 @@ end
439439

440440
@testset "physics::single_chain::wlc::thermodynamics::test::thermodynamic_limit::nondimensional_helmholtz_free_energy_per_link" begin
441441
for _ = 1:parameters.number_of_loops
442-
number_of_links = parameters.number_of_links_minimum
442+
number_of_links = parameters.number_of_links_maximum
443443
link_length =
444444
parameters.link_length_reference + parameters.link_length_scale * (0.5 - rand())
445445
hinge_mass =
@@ -476,7 +476,7 @@ end
476476

477477
@testset "physics::single_chain::wlc::thermodynamics::test::thermodynamic_limit::nondimensional_relative_helmholtz_free_energy" begin
478478
for _ = 1:parameters.number_of_loops
479-
number_of_links = parameters.number_of_links_minimum
479+
number_of_links = parameters.number_of_links_maximum
480480
link_length =
481481
parameters.link_length_reference + parameters.link_length_scale * (0.5 - rand())
482482
hinge_mass =
@@ -511,7 +511,7 @@ end
511511

512512
@testset "physics::single_chain::wlc::thermodynamics::test::thermodynamic_limit::nondimensional_relative_helmholtz_free_energy_per_link" begin
513513
for _ = 1:parameters.number_of_loops
514-
number_of_links = parameters.number_of_links_minimum
514+
number_of_links = parameters.number_of_links_maximum
515515
link_length =
516516
parameters.link_length_reference + parameters.link_length_scale * (0.5 - rand())
517517
hinge_mass =
@@ -544,7 +544,7 @@ end
544544

545545
@testset "physics::single_chain::wlc::thermodynamics::test::thermodynamic_limit::gibbs_free_energy" begin
546546
for _ = 1:parameters.number_of_loops
547-
number_of_links = parameters.number_of_links_minimum
547+
number_of_links = parameters.number_of_links_maximum
548548
link_length =
549549
parameters.link_length_reference + parameters.link_length_scale * (0.5 - rand())
550550
hinge_mass =
@@ -573,7 +573,7 @@ end
573573

574574
@testset "physics::single_chain::wlc::thermodynamics::test::thermodynamic_limit::gibbs_free_energy_per_link" begin
575575
for _ = 1:parameters.number_of_loops
576-
number_of_links = parameters.number_of_links_minimum
576+
number_of_links = parameters.number_of_links_maximum
577577
link_length =
578578
parameters.link_length_reference + parameters.link_length_scale * (0.5 - rand())
579579
hinge_mass =
@@ -604,7 +604,7 @@ end
604604

605605
@testset "physics::single_chain::wlc::thermodynamics::test::thermodynamic_limit::relative_gibbs_free_energy" begin
606606
for _ = 1:parameters.number_of_loops
607-
number_of_links = parameters.number_of_links_minimum
607+
number_of_links = parameters.number_of_links_maximum
608608
link_length =
609609
parameters.link_length_reference + parameters.link_length_scale * (0.5 - rand())
610610
hinge_mass =
@@ -634,7 +634,7 @@ end
634634

635635
@testset "physics::single_chain::wlc::thermodynamics::test::thermodynamic_limit::relative_gibbs_free_energy_per_link" begin
636636
for _ = 1:parameters.number_of_loops
637-
number_of_links = parameters.number_of_links_minimum
637+
number_of_links = parameters.number_of_links_maximum
638638
link_length =
639639
parameters.link_length_reference + parameters.link_length_scale * (0.5 - rand())
640640
hinge_mass =
@@ -668,7 +668,7 @@ end
668668

669669
@testset "physics::single_chain::wlc::thermodynamics::test::thermodynamic_limit::nondimensional_gibbs_free_energy" begin
670670
for _ = 1:parameters.number_of_loops
671-
number_of_links = parameters.number_of_links_minimum
671+
number_of_links = parameters.number_of_links_maximum
672672
link_length =
673673
parameters.link_length_reference + parameters.link_length_scale * (0.5 - rand())
674674
hinge_mass =
@@ -708,7 +708,7 @@ end
708708

709709
@testset "physics::single_chain::wlc::thermodynamics::test::thermodynamic_limit::nondimensional_gibbs_free_energy_per_link" begin
710710
for _ = 1:parameters.number_of_loops
711-
number_of_links = parameters.number_of_links_minimum
711+
number_of_links = parameters.number_of_links_maximum
712712
link_length =
713713
parameters.link_length_reference + parameters.link_length_scale * (0.5 - rand())
714714
hinge_mass =
@@ -747,7 +747,7 @@ end
747747

748748
@testset "physics::single_chain::wlc::thermodynamics::test::thermodynamic_limit::nondimensional_relative_gibbs_free_energy" begin
749749
for _ = 1:parameters.number_of_loops
750-
number_of_links = parameters.number_of_links_minimum
750+
number_of_links = parameters.number_of_links_maximum
751751
link_length =
752752
parameters.link_length_reference + parameters.link_length_scale * (0.5 - rand())
753753
hinge_mass =
@@ -784,7 +784,7 @@ end
784784

785785
@testset "physics::single_chain::wlc::thermodynamics::test::thermodynamic_limit::nondimensional_relative_gibbs_free_energy_per_link" begin
786786
for _ = 1:parameters.number_of_loops
787-
number_of_links = parameters.number_of_links_minimum
787+
number_of_links = parameters.number_of_links_maximum
788788
link_length =
789789
parameters.link_length_reference + parameters.link_length_scale * (0.5 - rand())
790790
hinge_mass =

‎src/physics/single_chain/wlc/thermodynamics/test.py‎

Lines changed: 22 additions & 22 deletions
Original file line numberDiff line numberDiff line change
@@ -154,7 +154,7 @@ def test_end_to_end_length(self):
154154
155155
"""
156156
for _ in range(parameters.number_of_loops):
157-
number_of_links = parameters.number_of_links_minimum
157+
number_of_links = parameters.number_of_links_maximum
158158
link_length = \
159159
parameters.link_length_reference + \
160160
parameters.link_length_scale*(0.5 - np.random.rand())
@@ -206,7 +206,7 @@ def test_end_to_end_length_per_link(self):
206206
207207
"""
208208
for _ in range(parameters.number_of_loops):
209-
number_of_links = parameters.number_of_links_minimum
209+
number_of_links = parameters.number_of_links_maximum
210210
link_length = \
211211
parameters.link_length_reference + \
212212
parameters.link_length_scale*(0.5 - np.random.rand())
@@ -260,7 +260,7 @@ def test_nondimensional_end_to_end_length(self):
260260
261261
"""
262262
for _ in range(parameters.number_of_loops):
263-
number_of_links = parameters.number_of_links_minimum
263+
number_of_links = parameters.number_of_links_maximum
264264
link_length = \
265265
parameters.link_length_reference + \
266266
parameters.link_length_scale*(0.5 - np.random.rand())
@@ -307,7 +307,7 @@ def test_nondimensional_end_to_end_length_per_link(self):
307307
308308
"""
309309
for _ in range(parameters.number_of_loops):
310-
number_of_links = parameters.number_of_links_minimum
310+
number_of_links = parameters.number_of_links_maximum
311311
link_length = \
312312
parameters.link_length_reference + \
313313
parameters.link_length_scale*(0.5 - np.random.rand())
@@ -353,7 +353,7 @@ def test_force(self):
353353
354354
"""
355355
for _ in range(parameters.number_of_loops):
356-
number_of_links = parameters.number_of_links_minimum
356+
number_of_links = parameters.number_of_links_maximum
357357
link_length = \
358358
parameters.link_length_reference + \
359359
parameters.link_length_scale*(0.5 - np.random.rand())
@@ -405,7 +405,7 @@ def test_nondimensional_force(self):
405405
406406
"""
407407
for _ in range(parameters.number_of_loops):
408-
number_of_links = parameters.number_of_links_minimum
408+
number_of_links = parameters.number_of_links_maximum
409409
link_length = \
410410
parameters.link_length_reference + \
411411
parameters.link_length_scale*(0.5 - np.random.rand())
@@ -450,7 +450,7 @@ def test_helmholtz_free_energy(self):
450450
451451
"""
452452
for _ in range(parameters.number_of_loops):
453-
number_of_links = parameters.number_of_links_minimum
453+
number_of_links = parameters.number_of_links_maximum
454454
link_length = \
455455
parameters.link_length_reference + \
456456
parameters.link_length_scale*(0.5 - np.random.rand())
@@ -514,7 +514,7 @@ def test_helmholtz_free_energy_per_link(self):
514514
515515
"""
516516
for _ in range(parameters.number_of_loops):
517-
number_of_links = parameters.number_of_links_minimum
517+
number_of_links = parameters.number_of_links_maximum
518518
link_length = \
519519
parameters.link_length_reference + \
520520
parameters.link_length_scale*(0.5 - np.random.rand())
@@ -578,7 +578,7 @@ def test_relative_helmholtz_free_energy(self):
578578
579579
"""
580580
for _ in range(parameters.number_of_loops):
581-
number_of_links = parameters.number_of_links_minimum
581+
number_of_links = parameters.number_of_links_maximum
582582
link_length = \
583583
parameters.link_length_reference + \
584584
parameters.link_length_scale*(0.5 - np.random.rand())
@@ -635,7 +635,7 @@ def test_relative_helmholtz_free_energy_per_link(self):
635635
636636
"""
637637
for _ in range(parameters.number_of_loops):
638-
number_of_links = parameters.number_of_links_minimum
638+
number_of_links = parameters.number_of_links_maximum
639639
link_length = \
640640
parameters.link_length_reference + \
641641
parameters.link_length_scale*(0.5 - np.random.rand())
@@ -692,7 +692,7 @@ def test_nondimensional_helmholtz_free_energy(self):
692692
693693
"""
694694
for _ in range(parameters.number_of_loops):
695-
number_of_links = parameters.number_of_links_minimum
695+
number_of_links = parameters.number_of_links_maximum
696696
link_length = \
697697
parameters.link_length_reference + \
698698
parameters.link_length_scale*(0.5 - np.random.rand())
@@ -755,7 +755,7 @@ def test_nondimensional_helmholtz_free_energy_per_link(self):
755755
756756
"""
757757
for _ in range(parameters.number_of_loops):
758-
number_of_links = parameters.number_of_links_minimum
758+
number_of_links = parameters.number_of_links_maximum
759759
link_length = \
760760
parameters.link_length_reference + \
761761
parameters.link_length_scale*(0.5 - np.random.rand())
@@ -818,7 +818,7 @@ def test_nondimensional_relative_helmholtz_free_energy(self):
818818
819819
"""
820820
for _ in range(parameters.number_of_loops):
821-
number_of_links = parameters.number_of_links_minimum
821+
number_of_links = parameters.number_of_links_maximum
822822
link_length = \
823823
parameters.link_length_reference + \
824824
parameters.link_length_scale*(0.5 - np.random.rand())
@@ -871,7 +871,7 @@ def test_nondimensional_relative_helmholtz_free_energy_per_link(self):
871871
872872
"""
873873
for _ in range(parameters.number_of_loops):
874-
number_of_links = parameters.number_of_links_minimum
874+
number_of_links = parameters.number_of_links_maximum
875875
link_length = \
876876
parameters.link_length_reference + \
877877
parameters.link_length_scale*(0.5 - np.random.rand())
@@ -924,7 +924,7 @@ def test_gibbs_free_energy(self):
924924
925925
"""
926926
for _ in range(parameters.number_of_loops):
927-
number_of_links = parameters.number_of_links_minimum
927+
number_of_links = parameters.number_of_links_maximum
928928
link_length = \
929929
parameters.link_length_reference + \
930930
parameters.link_length_scale*(0.5 - np.random.rand())
@@ -988,7 +988,7 @@ def test_gibbs_free_energy_per_link(self):
988988
989989
"""
990990
for _ in range(parameters.number_of_loops):
991-
number_of_links = parameters.number_of_links_minimum
991+
number_of_links = parameters.number_of_links_maximum
992992
link_length = \
993993
parameters.link_length_reference + \
994994
parameters.link_length_scale*(0.5 - np.random.rand())
@@ -1052,7 +1052,7 @@ def test_relative_gibbs_free_energy(self):
10521052
10531053
"""
10541054
for _ in range(parameters.number_of_loops):
1055-
number_of_links = parameters.number_of_links_minimum
1055+
number_of_links = parameters.number_of_links_maximum
10561056
link_length = \
10571057
parameters.link_length_reference + \
10581058
parameters.link_length_scale*(0.5 - np.random.rand())
@@ -1109,7 +1109,7 @@ def test_relative_gibbs_free_energy_per_link(self):
11091109
11101110
"""
11111111
for _ in range(parameters.number_of_loops):
1112-
number_of_links = parameters.number_of_links_minimum
1112+
number_of_links = parameters.number_of_links_maximum
11131113
link_length = \
11141114
parameters.link_length_reference + \
11151115
parameters.link_length_scale*(0.5 - np.random.rand())
@@ -1166,7 +1166,7 @@ def test_nondimensional_gibbs_free_energy(self):
11661166
11671167
"""
11681168
for _ in range(parameters.number_of_loops):
1169-
number_of_links = parameters.number_of_links_minimum
1169+
number_of_links = parameters.number_of_links_maximum
11701170
link_length = \
11711171
parameters.link_length_reference + \
11721172
parameters.link_length_scale*(0.5 - np.random.rand())
@@ -1229,7 +1229,7 @@ def test_nondimensional_gibbs_free_energy_per_link(self):
12291229
12301230
"""
12311231
for _ in range(parameters.number_of_loops):
1232-
number_of_links = parameters.number_of_links_minimum
1232+
number_of_links = parameters.number_of_links_maximum
12331233
link_length = \
12341234
parameters.link_length_reference + \
12351235
parameters.link_length_scale*(0.5 - np.random.rand())
@@ -1292,7 +1292,7 @@ def test_nondimensional_relative_gibbs_free_energy(self):
12921292
12931293
"""
12941294
for _ in range(parameters.number_of_loops):
1295-
number_of_links = parameters.number_of_links_minimum
1295+
number_of_links = parameters.number_of_links_maximum
12961296
link_length = \
12971297
parameters.link_length_reference + \
12981298
parameters.link_length_scale*(0.5 - np.random.rand())
@@ -1345,7 +1345,7 @@ def test_nondimensional_relative_gibbs_free_energy_per_link(self):
13451345
13461346
"""
13471347
for _ in range(parameters.number_of_loops):
1348-
number_of_links = parameters.number_of_links_minimum
1348+
number_of_links = parameters.number_of_links_maximum
13491349
link_length = \
13501350
parameters.link_length_reference + \
13511351
parameters.link_length_scale*(0.5 - np.random.rand())

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