openff.bespokefit.schema.smirnoff.ImproperTorsionSMIRKS

model openff.bespokefit.schema.smirnoff.ImproperTorsionSMIRKS[source]

Bases: BaseSMIRKSParameter

Fields

attributes (Set[Literal['k*', 'periodicity*', 'phase*', 'idivf*', 'k1', 'periodicity1', 'phase1', 'idivf1', 'k2', 'periodicity2', 'phase2', 'idivf2', 'k3', 'periodicity3', 'phase3', 'idivf3', 'k4', 'periodicity4', 'phase4', 'idivf4']])
type (Literal['ImproperTorsions'])

field type: Literal['ImproperTorsions'] = 'ImproperTorsions'

field attributes: Set[Literal['k*', 'periodicity*', 'phase*', 'idivf*', 'k1', 'periodicity1', 'phase1', 'idivf1', 'k2', 'periodicity2', 'phase2', 'idivf2', 'k3', 'periodicity3', 'phase3', 'idivf3', 'k4', 'periodicity4', 'phase4', 'idivf4']] [Required]: The attributes of the parameter which should be optimized.

classmethod from_smirnoff(parameter: ImproperTorsionType) → ImproperTorsionSMIRKS[source]