Closed YHordijk closed 5 months ago
Currently to write a radical system with tcutility.formula.molecule we have to do it as follows:
from tcutility import formula formula.molecule('TS: C2H4 + CH3•', 'unicode') >>> 'TS: C₂H₄ + CH₃•'
This requires us to have the dot symbol on hand. It is maybe a good idea to give the asterisk instead and simply replace it with the dot symbol.
from tcutility import formula formula.molecule('TS: C2H4 + CH3*', 'unicode') >>> 'TS: C₂H₄ + CH₃•'
Currently to write a radical system with tcutility.formula.molecule we have to do it as follows:
This requires us to have the dot symbol on hand. It is maybe a good idea to give the asterisk instead and simply replace it with the dot symbol.