Sebastian Dick

Results 3 comments of Sebastian Dick

I've been having some problems using the flags `Chem.ResonanceFlags.ALLOW_INCOMPLETE_OCTETS | Chem.ResonanceFlags.UNCONSTRAINED_CATIONS| Chem.ResonanceFlags.UNCONSTRAINED_ANIONS` throughout, because it is generally too permissive and creates too many resonance structures. At the same time, I...

I was too optimistic, this still fails for `c1ccc[s+]c1`, which requires `Chem.ResonanceFlags.UNCONSTRAINED_CATIONS` to not freeze.