model openff.bespokefit.schema.targets.BaseTargetSchema[source]

Bases: SchemaBase, ABC

The base class for models which store information about fitting targets.

field weight: pydantic.types.PositiveFloat = 1.0

The amount to weight the target by.

  • exclusiveMinimum = 0

field reference_data: Optional[Union[Any, openff.bespokefit.schema.targets.LocalQCData[Any], openff.bespokefit.schema.targets.BespokeQCData[Any]]] = None
field calculation_specification: Optional[Union[openff.bespokefit.schema.tasks.Torsion1DTaskSpec, openff.bespokefit.schema.tasks.HessianTaskSpec, openff.bespokefit.schema.tasks.OptimizationTaskSpec]] = None
field extras: Dict[str, str] = {}

Extra settings to use for the target. Optimizer specific settings (e.g. whether a target should be set to remote in ForceBalance) should be included here.

abstract classmethod bespoke_task_type() Literal['torsion1d', 'optimization', 'hessian'][source]

Returns the type of task which will be required to generate the reference data for this type of target.