TorsionProfileTargetFactory
- class openff.bespokefit.optimizers.forcebalance.factories.TorsionProfileTargetFactory[source]
Bases:
AbInitioTargetFactory
,_TargetFactory
[TorsionProfileTargetSchema
]Methods
__init__
()generate
(root_directory, target)Creates the input files for a target schema in a specified directory.
- classmethod generate(root_directory: Union[str, Path], target: T)
Creates the input files for a target schema in a specified directory.
- Parameters
root_directory – The root directory to create the inputs in.
target – The target to create the inputs for. A single target schema may map to several new ForceBalance targets, typically one per QC record referenced by the schema.