Skip to content

e85 job causes AttributeError: 'rmg.chem.Atom' object has no attribute 'breakBond' #10

Closed
@rwest

Description

@rwest

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'

Metadata

Metadata

Assignees

No one assigned

    Labels

    No labels
    No labels

    Type

    No type

    Projects

    No projects

    Milestone

    No milestone

    Relationships

    None yet

    Development

    No branches or pull requests

    Issue actions