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Eloy Félix cb251343b9 Tautomer insensitive hash v2, E/Z and stereocenter-preservation (#9128)
* Tautomer insensitive hash v2, E/Z and stereocenter-preservation

* Preserve E/Z stereochemistry and stereocenters in TautomerHashv2

Simplify extension logic to better protect stereocenters connected via
single bonds to aromatic systems. Preserve E/Z stereo on exocyclic
double bonds to distinguish geometric isomers (e.g., E/Z hydrazones).

* add helper function to remove duplicated code

* Fix ring info and bond aromaticity handling in MolHash

- Add fastFindRings check in TautomerHashv2 before ring queries
- Set isAromatic consistent with bond type (true for AROMATIC bonds)
- Fix inverted condition in RegioisomerHash

* more consistent hashes regardless of stereo annotation
2026-04-24 14:19:47 +02:00
..
2025-11-27 14:25:57 +01:00
2025-10-08 16:08:01 +02:00
2026-04-01 05:37:02 +02:00
2023-11-10 15:32:54 +01:00
2019-10-10 20:18:43 +09:00