Sebastian Dick
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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.