Closed
Description
This is with 16f8145 ::
RMG execution initiated at Thu Nov 12 17:58:48 2009
################################################################
# #
# RMG - Reaction Mechanism Generator #
# Python Version 0.0.1 #
# 14 May 2009 #
# #
# http://rmg.sourceforge.net/ #
# #
################################################################
Found 1 database
Traceback (most recent call last):
File "rmg.py", line 149, in <module>
rmg.main.execute( args[0], options )
File "/Users/rwest/XCodeProjects/RMGpy/source/rmg/main.py", line 96, in execute
reactionModel, coreSpecies, reactionSystems = io.readInputFile(inputFile)
File "/Users/rwest/XCodeProjects/RMGpy/source/rmg/io.py", line 295, in readInputFile
reaction.kineticsDatabase.load(database[2] + os.sep)
File "/Users/rwest/XCodeProjects/RMGpy/source/rmg/reaction.py", line 1650, in load
family.load(path)
File "/Users/rwest/XCodeProjects/RMGpy/source/rmg/reaction.py", line 636, in load
self.loadTemplate(tempstr)
File "/Users/rwest/XCodeProjects/RMGpy/source/rmg/reaction.py", line 1156, in loadTemplate
self.generateProductTemplate()
File "/Users/rwest/XCodeProjects/RMGpy/source/rmg/reaction.py", line 1191, in generateProductTemplate
productStructure = self.applyRecipe(reactantStructure, unique=False)
File "/Users/rwest/XCodeProjects/RMGpy/source/rmg/reaction.py", line 1277, in applyRecipe
if not self.recipe.applyForward(reactantStructure, unique):
File "/Users/rwest/XCodeProjects/RMGpy/source/rmg/reaction.py", line 529, in applyForward
return self.__apply(struct, True, unique)
File "/Users/rwest/XCodeProjects/RMGpy/source/rmg/reaction.py", line 490, in __apply
atom1.breakBond(struct.getBonds(atom1), unique)
AttributeError: 'rmg.chem.Atom' object has no attribute 'breakBond'
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