Greg Landrum bf74af4052 Fix/github4442 (#4448) ...

* Fixes #4442

* add qmol_from_json()

* allow casting from mol->qmol

* avoid repeating ourselves

* add chiral substructure functions and operators
not available with indices yet

* remove the @@> operators
since I can't figure out how to support them in the index

2021-09-13 04:41:31 +02:00

..

rdkit

Fix/github4442 (#4448)

2021-09-13 04:41:31 +02:00