Greg Landrum b1b6cf9024 Fixes #8654 (#8657) ...

* Fixes #8654

* fix a logic error

* SWIG is sooooo much fun

2025-08-29 14:42:21 +02:00

..

Wrap

add HetAtomProtomerv2 (#7253)

2024-03-17 10:58:47 +01:00

catch_tests.cpp

Fixes #8654 (#8657)

2025-08-29 14:42:21 +02:00

CMakeLists.txt

improve handling of esters, amides, etc. in the v2 tautomer hash (#8173)

2025-01-24 16:11:38 +01:00

hashfunctions.cpp

Fixes #8654 (#8657)

2025-08-29 14:42:21 +02:00

mf.h

Add a CXSMILES option to the MolHash (#5058)

2022-03-03 16:00:38 +01:00

MolHash.h

Add a CXSMILES option to the MolHash (#5058)

2022-03-03 16:00:38 +01:00

nmmolhash.h

add HetAtomProtomerv2 (#7253)

2024-03-17 10:58:47 +01:00

normalize.cpp

Add a CXSMILES option to the MolHash (#5058)

2022-03-03 16:00:38 +01:00