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Fix: numeric energy input for ARKANE #1811

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Fix: numeric energy input for ARKANE #1811

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4 changes: 3 additions & 1 deletion arkane/statmech.py
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Original file line number Diff line number Diff line change
Expand Up @@ -316,7 +316,9 @@ def load(self, pdep=False, plot=False):
except KeyError:
raise InputError('Model chemistry {0!r} not found in from dictionary of energy values in species file '
'{1!r}.'.format(self.modelChemistry, path))
if not os.path.isfile(energy.path):
if not hasattr(energy, 'path'):
pass
elif not os.path.isfile(energy.path):
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I would suggest putting the check in the same statement: if hasattr(energy, 'path') and not os.path.isfile(energy.path)

Also, I'm not sure if Alon has opinions on use of hasattr vs checking isinstance(energy, Log).

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I think isinstance(energy, Log) is cleaner, and it should definitely be in the same statement.
@jeehyunatrmg, we can do it together tomorrow if you'd like, or simply go-ahead and make these fixes.

modified_energy_path = os.path.join(directory, energy.path)
if not os.path.isfile(modified_energy_path):
raise InputError('Could not find single point energy file for species {0} '
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