ChEMBL_Structure_Pipeline
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allow sanitization of the result molecules in standardize_mol()
In order to help prevent users from getting themselves into trouble, we should add a standardize
argument to standardize_mol()
that defaults to True.
One argument against setting the default to True is that it does introduce the possibility that the sanitization might fail. But I think it's probably safer to go ahead and do it anyway.
This came up in the discussion of https://github.com/rdkit/rdkit/issues/3094.
@eloyfelix : if you agree that this is a reasonable idea, I will go ahead and implement it and add a couple tests for it.
Hi Greg, thanks for looking into this. Yes, it is definitely a good idea to do it.
Ok. I will try to get a PR done in the next couple days. As usual, writing the tests will be the majority of the effort. :-)
done in #45