Files
rdkit/Code/GraphMol/RascalMCES/RascalResult.cpp
David Cosgrove 29a166dff6 Add option for RASCAL to restrict atom matching to atoms of same degree (#7344)
* Add exactConnectionsMatch option.

* Better python test.

* Better C++ test.

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Co-authored-by: David Cosgrove <david@cozchemix.co.uk>
2024-04-11 16:20:38 +02:00

28 KiB