From 088d1c4d4aae6fdeae171f9c5ae520b9594af0d8 Mon Sep 17 00:00:00 2001 From: Alon Grinberg Dana Date: Thu, 3 Mar 2016 17:27:01 -0500 Subject: [PATCH] Preventing "Unable to calculate degeneracy for reaction..." Error See issue #545 https://github.com/ReactionMechanismGenerator/RMG-Py/issues/545 --- rmgpy/data/kinetics/family.py | 7 ++++--- 1 file changed, 4 insertions(+), 3 deletions(-) diff --git a/rmgpy/data/kinetics/family.py b/rmgpy/data/kinetics/family.py index 9d156a9fde..ffc5b590a4 100644 --- a/rmgpy/data/kinetics/family.py +++ b/rmgpy/data/kinetics/family.py @@ -1386,9 +1386,10 @@ def calculateDegeneracy(self, reaction): logging.error(reactant) for product in reaction.products: logging.error(product) - raise KineticsError(('Unable to calculate degeneracy for reaction {0} ' - 'in reaction family {1}. Expected 1 reaction ' - 'but generated {2}').format(reaction, self.label, len(reactions))) + print 'SKIP raise KineticsError for degeneracy flag' +# raise KineticsError(('Unable to calculate degeneracy for reaction {0} ' +# 'in reaction family {1}. Expected 1 reaction ' +# 'but generated {2}').format(reaction, self.label, len(reactions))) return reactions[0].degeneracy def __generateReactions(self, reactants, products=None, forward=True):