KeyError in Molecule.calculate_oxidation()
Closed this issue · 1 comments
Pyxidatol-C commented
Molecule.from_string("OH2CMgUut")
throws KeyError: 'C'
.
Molecule.calculate_oxidation() is missing the element C in the returned dictionary.
Pyxidatol-C commented
Oxidation number can't be determined for an inexistant molecule.