Greg Landrum 9fa1df1cf6 Drop usage of CIP information from the canonicalization code (#5385) ...

* stop using CIP codes in the atomic canonicalization

this will change results in some cases, so lots of tests need to be updated.

* stop breaking string literals... ARGH

* tests now pass

* update double bond canonicalization

* update a python test

* some cleanup

* update expected results for cartridge

2022-07-13 05:40:23 +02:00

..

rdkit

Drop usage of CIP information from the canonicalization code (#5385)

2022-07-13 05:40:23 +02:00