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rdkit/Code
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
..
2025-09-21 18:19:50 +02:00
2021-10-20 04:25:27 +02:00
2024-10-25 07:01:34 +02:00
2023-11-10 15:32:54 +01:00
2019-10-10 20:18:43 +09:00