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* 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>
7.5 KiB
7.5 KiB