Ricardo Rodriguez d5aa90e18f Fix for issue #8965 (#8968) ...

* add a test

* change stereo bond canonicalization

* update canonicalization watch test with fixed cases

* make canonicalization test stricter (compare CIP codes)

* add reverse symmetry condition

* rewrite double bond canonicalization code

* update tests

* fix multiline comment

* update java tests

* update python test

* nix switchBondDir (unused)

* fix and rename flipBondDir

* refactor comment

* fix shadowed var name, casting

* fix neighbor sorting

* make seen_bonds a vector

* abstract setDirectionFromNeighboringBond

* handle both sides of the bond have directions

* move getNeighboringStereoBond

* check seen_bonds after popping connectedBondsQ

* use references for arguments

* add release note

* add example required by Dan

* add example requested by Dan

2026-02-26 08:58:36 +01:00

222 KiB

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