Greg Landrum 7e575db3c4 AssignStereochemistry should remove nonchiral atoms from StereoGroups (#4986) ...

* Nonchiral atoms should be removed from StereoGroups

This fixes a bug where atoms which have no chirality were left in StereoGroups

In order to make this work, ROMol::setStereoGroups() needed to be made public.
That shouldn't be a problem since it doesn't change connectivity.

* fix some broken old tests

* update cartridge tests

2022-02-08 05:17:34 +01:00

..

rdkit

AssignStereochemistry should remove nonchiral atoms from StereoGroups (#4986)

2022-02-08 05:17:34 +01:00