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sevyharrisrwest
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correct Dispoportionation typo Copilot found
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test/rmgpy/tools/uncertaintyTest.py

Lines changed: 2 additions & 2 deletions
Original file line numberDiff line numberDiff line change
@@ -139,7 +139,7 @@ def test_uncertainty_assignment(self):
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assert not self.uncertainty.all_thermo_sources["QM"]
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# Check kinetics sources
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Dispoportionation_rr_expected = {
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Disproportionation_rr_expected = {
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'Root_Ext-1R!H-R_N-4R->O_N-Sp-5R!H=1R!H_Ext-4CHNS-R_N-6R!H->S_4CHNS->C_N-Sp-6BrBrBrCCCClClClFFFIIINNNOOOPPPSiSiSi#4C_6BrCClFINOPSi->C_N-1R!H-inRing_N-Sp-6C-4C',
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'Root_Ext-2R!H-R_2R!H->C_4R->C',
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}
@@ -154,7 +154,7 @@ def test_uncertainty_assignment(self):
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assert set(self.uncertainty.all_kinetic_sources) == {"Rate Rules", "Training", "Library", "PDep"}
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assert set(self.uncertainty.all_kinetic_sources["Rate Rules"].keys()) == {"Disproportionation", "H_Abstraction"}
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rr = set([e.label for e in self.uncertainty.all_kinetic_sources["Rate Rules"]["Disproportionation"]])
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assert rr == Dispoportionation_rr_expected
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assert rr == Disproportionation_rr_expected
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rr = set([e.label for e in self.uncertainty.all_kinetic_sources["Rate Rules"]["H_Abstraction"]])
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assert rr == H_Abstraction_rr_expected
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assert set(self.uncertainty.all_kinetic_sources["Training"].keys()) == {"Disproportionation", "H_Abstraction"}

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