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TransitionState object has no attribute 'molecular_weight' when running Arkane #1739

@ndharms

Description

@ndharms

Bug Description

When I'm trying to run an Arkane kinetics job, I'm getting the following error:

~/Code/RMG-Py/arkane/main.py in execute(self)
    207                 job.execute(output_directory=self.output_directory, plot=self.plot)
    208             if isinstance(job, StatMechJob):
--> 209                 job.execute(output_directory=self.output_directory, plot=self.plot, pdep=is_pdep(self.job_list))
    210                 if hasattr(job, 'supporting_info'):
    211                     supporting_info.append(job.supporting_info)

~/Code/RMG-Py/arkane/statmech.py in execute(self, output_directory, plot, pdep)
    205         If `plot` is True, then plots of the hindered rotor fits will be saved.
    206         """
--> 207         self.load(pdep, plot)
    208         if output_directory is not None:
    209             try:

~/Code/RMG-Py/arkane/statmech.py in load(self, pdep, plot)
    419         else:
    420             # Sometimes the translational mode is not appended to modes for monoatomic species
--> 421             conformer.modes.append(IdealGasTranslation(mass=self.species.molecular_weight))
    422 
    423         if conformer.spin_multiplicity == 0:

AttributeError: 'rmgpy.species.TransitionState' object has no attribute 'molecular_weight'

It's seeming like the

How To Reproduce

The Arkane input file is in the ts directory in the following github repo:
https://github.com/comocheng/test_scratch/

Expected Behavior

I would expect this to return kinetics. This reaction was chosen before because it was able to return kinetics in RMG-2.4.1

Installation Information

  • Mac OS
  • RMG-Py latest master
  • RMG-database latest master
  • latest rmg_env from environment.yml

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