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Update canteramodel
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rmgpy/tools/canteramodel.py

Lines changed: 1 addition & 3 deletions
Original file line numberDiff line numberDiff line change
@@ -817,13 +817,11 @@ def check_equivalent_falloff(fall1, fall2):
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if isinstance(ct_rxn1, ct.Reaction):
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# may not mean it is arrhenius, need to check if it is troe,
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if isinstance(ct_rxn1.rate, ct.ArrheniusRate):
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assert ct_rxn1.allow_negative_pre_exponential_factor == ct_rxn2.allow_negative_pre_exponential_factor, \
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"Same allow_negative_pre_exponential_factor attribute"
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if ct_rxn1.rate or ct_rxn2.rate:
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check_equivalent_arrhenius(ct_rxn1.rate, ct_rxn2.rate)
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elif isinstance(ct_rxn1.rate, ct.PlogRate):
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if ct_rxn1.rate.rates or ct_rxn2.rate.rates:
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assert len(ct_rxn1.rates) == len(ct_rxn2.rates), "Same number of rates in PLOG reaction"
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assert len(ct_rxn1.rate.rates) == len(ct_rxn2.rate.rates), "Same number of rates in PLOG reaction"
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for i in range(len(ct_rxn1.rate.rates)):
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P1, arr1 = ct_rxn1.rate.rates[i]

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