Paolo Tosco
Paolo Tosco
@amorehead Yes. What I was suggesting above is that you should already be able to get rid of the undesired logging with the current RDKit version by wrapping the `DetermineBonds`...
@amorehead If you can share the SMILES of a molecule that raises those logs I can take a look.
@amorehead That SMILES yields an exception, not a warning, so it is expected that it will not be suppressed: ``` mol = Chem.MolFromSmiles("[C-3][C+]([C-3])[C+]([N-2])[C][O-]") charge = Chem.GetFormalCharge(mol) with StringIO() as buf:...
@simonmb No, it hasn’t. Sorry - I have not forgotten but finding the time is the issue.
Thanks for reporting. Automated stub generation with C++ Python wrappers is tricky. I'll fix that.
Apologies, I have had very little time for RDKit lately; I’ll try to get this fixed for the next patch release.
@jones-gareth I have made [a small PR against your branch](https://github.com/jones-gareth/rdkit/pull/12) with a couple additional suggestions to simplify the existing code as well as your addition, then I think the PR...
@jones-gareth I have submitted another PR against your branch with a further simplification of your latest changes. This is going to be the last one, I promise!
@greglandrum This PR has been open for several months now with no activity apart from me fixing conflicts from time to time. I think it would be good to merge...
@greglandrum I have just noticed that this PR also exposes an additional JSON bool flag (`assignChiralTypesFromMolParity`) which is not strictly related to RGD. I am happy to take it out...