Files
rdkit/Code/GraphMol/RingInfo.cpp
Paolo Tosco dc4893132b Fixes #4721 (#4722)
* fixes #4721

* - store in RingInfo the index of the ring(s) each atom and bond belongs to rather tham just their size
- expand the RingInfo API with a few useful methods
- identify rings that are certainly aliphatic upfront
- avoid unnecessary copying atomRings when RingInfo is already initialized

* - code modernization and cleanup
- better handling of dummies in aromatic rings
- exposed atomMembers() and bondMembers()
- added several tests

* - avoid order dependency on rings
- added test for the above

* changes in response to review

Co-authored-by: Tosco, Paolo <paolo.tosco@novartis.com>
2022-01-28 16:38:46 +01:00

7.5 KiB