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Merge pull request #402 from ReactionMechanismGenerator/del_perserve_…
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…dist

Deleted Reaction.determine_preserve_distance_in_scan
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alongd committed Jun 12, 2020
2 parents e82ac78 + 9b4fbfe commit 92906b1
Showing 1 changed file with 0 additions and 5 deletions.
5 changes: 0 additions & 5 deletions arc/reaction.py
Original file line number Diff line number Diff line change
Expand Up @@ -406,11 +406,6 @@ def determine_family(self, rmg_database):
self.family, self.family_own_reverse = rmgdb.determine_reaction_family(rmgdb=rmg_database,
reaction=self.rmg_reaction)

def determine_preserve_distance_in_scan(self):
"""Todo: Determine which atom labels participate in the reaction coordinate from the RMG reaction family"""
if self.family is not None:
pass

def check_ts(self, verbose: bool = True) -> bool:
"""
Check that the TS E0 is above both reactants and products wells.
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