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FYI, Implicit hydrogens and kekulization branch

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FYI, Implicit hydrogens and kekulization branch

Noel O'Boyle
Administrator
If you're interested in what I hope will be the future of OB, you can
try out my work on changing the handling of implicit hydrogens and
implementing a new kekulization algorithm:
https://github.com/baoilleach/openbabel/tree/workingimph

This is partly to let people know that there's work in progress and
partly to get some early feedback or field questions. Essentially, the
main difference is that atoms record how many implicit hydrogens are
attached. Previously, OB performed heroic efforts to work this out
based on other information but at the expense of speed and the
occassional mistake.

It's by no means finished (several test failures), but it's all there
in broad strokes. It should be quite a bit faster than the current
release. I've added an option when reading SMILES to keep the
aromaticity present in the SMILES (a performance improvement when
reading aromatic SMILES written by OB, e.g. in a database context),
and the option to write kekule SMILES.

Regards,
- Noel

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