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removed is_proton from update_charge
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looks like we get it right without this
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davidfarinajr committed Jan 23, 2021
1 parent 2fd7b79 commit b2b8626
Showing 1 changed file with 0 additions and 3 deletions.
3 changes: 0 additions & 3 deletions rmgpy/molecule/molecule.py
Original file line number Diff line number Diff line change
Expand Up @@ -519,9 +519,6 @@ def update_charge(self):
if self.is_electron():
self.charge = -1
return
if self.is_proton():
self.charge = 1
return

valence_electron = elements.PeriodicSystem.valence_electrons[self.symbol]
order = self.get_total_bond_order()
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