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v0.0.9

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@klausweinbauer klausweinbauer released this 16 Apr 22:39
4f75e60
v0.0.9 (#4)

* add boron to valence dict
This also fixes the implicit hydrogen count for atoms with valence smaller 4.

* add peroxide functional group
Now all pattern matches are considered for the functional group check.
Not just the first one. This led to rare cases where the group atom was
not in the pattern even though the pattern actually matched.

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Co-authored-by: Klaus Weinbauer <klaus@becks.bioinf.uni-leipzig.de>