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Merge pull request #694 from ReactionMechanismGenerator/solvation_fixed
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fixed an indentation mistake
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nickvandewiele authored Jun 29, 2016
2 parents 129a457 + ffe975e commit 898ebfc
Showing 1 changed file with 7 additions and 7 deletions.
14 changes: 7 additions & 7 deletions rmgpy/data/solvation.py
Original file line number Diff line number Diff line change
Expand Up @@ -939,10 +939,10 @@ def checkSolventinInitialSpecies(self,rmg,solventStructure):
spec.isSolvent = spec.isIsomorphic(solventStructure)
else:
spec.isSolvent = rmg.solvent == spec.label
if not any([spec.isSolvent for spec in rmg.initialSpecies]):
if solventStructure is not None:
logging.info('One of the initial species must be the solvent')
raise Exception('One of the initial species must be the solvent')
else:
logging.info('One of the initial species must be the solvent with the same string name')
raise Exception('One of the initial species must be the solvent with the same string name')
if not any([spec.isSolvent for spec in rmg.initialSpecies]):
if solventStructure is not None:
logging.info('One of the initial species must be the solvent')
raise Exception('One of the initial species must be the solvent')
else:
logging.info('One of the initial species must be the solvent with the same string name')
raise Exception('One of the initial species must be the solvent with the same string name')

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