Files
rdkit/Code/GraphMol/Descriptors/catch_tests.cpp
David Cosgrove aef426b247 Fix oxidation numbers calculation (#6266)
* Skip dative bonds when calculating oxidation numbers.

* Add extra test file.

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Co-authored-by: David Cosgrove <david@cozchemix.co.uk>
2023-04-03 09:55:59 +02:00

19 KiB