Greg Landrum e0b7fc298a Support SubstanceGroups and StereoGroups in JSON (#5909) ...

* write stereogroups

* Parse stereogroups

* add parameters to python wrappers

* more tests

* write substancegroups

* parse SubstanceGroups

* Fix a crashing bug with null molecules

* more testing

* add some docs

* update expected cffi results

* oh, this is delightful syntax

* adapt minimallib and the cartridge tests
some small cleanups

* stupid padding

* update expected

* changes in response to review

2023-01-04 16:29:36 +01:00

..

rdkit

Support SubstanceGroups and StereoGroups in JSON (#5909)

2023-01-04 16:29:36 +01:00