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update third body-related syntax
1 parent 1785e7b commit 206d426

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2 files changed

+4
-8
lines changed

2 files changed

+4
-8
lines changed

rmgpy/reaction.py

Lines changed: 4 additions & 4 deletions
Original file line numberDiff line numberDiff line change
@@ -348,16 +348,16 @@ def to_cantera(self, species_list=None, use_chemkin_identifier=False):
348348

349349
elif isinstance(self.kinetics, ThirdBody):
350350
if ct_collider is not None:
351-
ct_reaction = ct.ThreeBodyReaction(reactants=ct_reactants, products=ct_products, third_body=ct_collider)
351+
ct_reaction = ct.Reaction(reactants=ct_reactants, products=ct_products, third_body=ct_collider)
352352
else:
353-
ct_reaction = ct.ThreeBodyReaction(reactants=ct_reactants, products=ct_products)
353+
ct_reaction = ct.Reaction(reactants=ct_reactants, products=ct_products)
354354

355355
elif isinstance(self.kinetics, Troe):
356356
if ct_collider is not None:
357357
ct_reaction = ct.Reaction(
358358
reactants=ct_reactants,
359359
products=ct_products,
360-
tbody=ct_collider,
360+
third_body=ct_collider,
361361
rate=ct.TroeRate()
362362
)
363363
else:
@@ -372,7 +372,7 @@ def to_cantera(self, species_list=None, use_chemkin_identifier=False):
372372
ct_reaction = ct.Reaction(
373373
reactants=ct_reactants,
374374
products=ct_products,
375-
tbody=ct_collider,
375+
third_body=ct_collider,
376376
rate=ct.LindemannRate()
377377
)
378378
else:

rmgpy/tools/canteramodel.py

Lines changed: 0 additions & 4 deletions
Original file line numberDiff line numberDiff line change
@@ -850,10 +850,6 @@ def check_equivalent_falloff(fall1, fall2):
850850
if ct_rxn1.low_rate or ct_rxn2.low_rate:
851851
check_equivalent_arrhenius(ct_rxn1.low_rate, ct_rxn2.low_rate)
852852

853-
elif isinstance(ct_rxn1, ct.ThreeBodyReaction):
854-
assert ct_rxn1.default_efficiency == ct_rxn2.default_efficiency, "Same default efficiency"
855-
assert ct_rxn1.efficiencies == ct_rxn2.efficiencies, "Same efficiencies"
856-
857853
except Exception as e:
858854
print("Cantera reaction {0} failed equivalency check on: {1}".format(ct_rxn1, e))
859855
return False

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