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Description
When I run with:
# Data sources
database(
'../RMG-database/input',
thermoLibraries = ['primaryThermoLibrary', 'GRI-Mech3.0'],
reactionLibraries = ['GRI-Mech3.0'],
seedMechanisms = [],
)
it fails with:
Adding seed mechanism GRI-Mech3.0 to model core...
Traceback (most recent call last):
File "rmg.py", line 673, in <module>
execute(args)
File "rmg.py", line 262, in execute
reactionModel.addSeedMechanismToCore(database, seedMechanism, react=False)
File "/Users/rwest/XCodeProjects/RMGpy/RMG-Py/rmgpy/rmg/model.py", line 1305, in addSeedMechanismToCore
r, isNew = self.makeNewReaction(rxn)
File "/Users/rwest/XCodeProjects/RMGpy/RMG-Py/rmgpy/rmg/model.py", line 748, in makeNewReaction
forward.reactants = [self.makeNewSpecies(molecule)[0] for molecule in forward.reactants]
File "/Users/rwest/XCodeProjects/RMGpy/RMG-Py/rmgpy/rmg/model.py", line 641, in makeNewSpecies
molecule.clearLabeledAtoms()
AttributeError: 'rmgpy.species.Species' object has no attribute 'clearLabeledAtoms'
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