openff.bespokefit.fragmentation.base.register_fragmentation_engine
- openff.bespokefit.fragmentation.base.register_fragmentation_engine(engine: Type[Fragmenter], replace: bool = False) None [source]
Register a new valid fragment engine with bespokefit.
- Parameters
engine – The fragment engine class that should be registered.
replace – If the fragment engine should replace another registered with the same name.
- Raises
FragmenterError – If the fragment engine is already registered or if the FragmentEngine object is not compatible.