diff --git a/rmgpy/molecule/molecule.py b/rmgpy/molecule/molecule.py index af4b74f0972..bbd8da2431e 100644 --- a/rmgpy/molecule/molecule.py +++ b/rmgpy/molecule/molecule.py @@ -490,9 +490,9 @@ def apply_action(self, action): for i in range(action[2]): self.increment_radical() elif act == 'LOSE_RADICAL': for i in range(abs(action[2])): self.decrement_radical() - elif action[0].upper() == 'GAIN_PAIR': + elif act == 'GAIN_PAIR': for i in range(action[2]): self.increment_lone_pairs() - elif action[0].upper() == 'LOSE_PAIR': + elif act == 'LOSE_PAIR': for i in range(abs(action[2])): self.decrement_lone_pairs() else: raise gr.ActionError('Unable to update Atom: Invalid action {0}".'.format(action))