From da7f53190abb966befc1ee2e077e9599468095f0 Mon Sep 17 00:00:00 2001 From: Richard West Date: Sat, 15 Aug 2015 11:27:15 -0400 Subject: [PATCH] Catch and avoid another "Unable to calculate degeneracy" error. Hopefully this will be fixed one day... (ref #140 and #141) --- importChemkin.py | 6 +++++- 1 file changed, 5 insertions(+), 1 deletion(-) diff --git a/importChemkin.py b/importChemkin.py index 5c8e9232fb..ab8c57c46d 100755 --- a/importChemkin.py +++ b/importChemkin.py @@ -1548,7 +1548,11 @@ def saveReactionToKineticsInfoFile(self, chemkinReaction): product_molecules = [s.molecule[0] for s in chemkinReaction.products if s.reactive] f.flush() # logging.info("Trying to generate reactions for " + str(chemkinReaction)) - generated_reactions = self.rmg_object.database.kinetics.generateReactionsFromFamilies(reactant_molecules, product_molecules) + try: + generated_reactions = self.rmg_object.database.kinetics.generateReactionsFromFamilies(reactant_molecules, product_molecules) + except KineticsError as e: + f.write('{0!r}'.format('Bug!: ' + str(e))) + generated_reactions = [] for reaction in generated_reactions: f.write('{0!r}, '.format(reaction.family.label)) f.write(' ],\n')