Vandan Revanur cded6cc4e0 ForceFieldHelpers: fix “No Python class registered” error (#8800) ...

Fixes github issue #8597.

* UFFGetMoleculeForceField was returning
PyForceField* before the class was registered via rdForceField,
which caused “No Python class registered” errors in Python when
using multiple conformers.

* This patch forces rdForceField to be
imported during rdForceFieldHelpers module init, ensuring the
class is always registered before helper functions are used.

* Add unit test

2025-09-23 06:03:57 +02:00

..

CrystalFF

style: apply modernize-use-override (#8137)

2025-04-25 12:24:58 +02:00

MMFF

Small cleanups of the MMFF94 code (#8593)

2025-06-24 08:07:51 +02:00

UFF

remove no-op macros and dead code (pt 4) (#8037)

2025-01-26 07:49:50 +01:00

Wrap

ForceFieldHelpers: fix “No Python class registered” error (#8800)

2025-09-23 06:03:57 +02:00

catch_tests.cpp

Fixes Github #7901 (#8264)

2025-02-13 12:46:56 +01:00

CMakeLists.txt

Fixes Github #7901 (#8264)

2025-02-13 12:46:56 +01:00

FFConvenience.h

Allow creation of an empty forcefield (#7494)

2024-06-08 05:18:22 +02:00