openff.interchange.components.smirnoff.SMIRNOFFImproperTorsionHandler

pydantic model openff.interchange.components.smirnoff.SMIRNOFFImproperTorsionHandler[source]

Bases: SMIRNOFFPotentialHandler

Handler storing improper torsions potentials as produced by a SMIRNOFF force field.

Fields

expression (Literal['k*(1+cos(periodicity*theta-phase))'])
type (Literal['ImproperTorsions'])

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

field expression: Literal['k*(1+cos(periodicity*theta-phase))'] = 'k*(1+cos(periodicity*theta-phase))'

classmethod allowed_parameter_handlers()[source]: Return a list of allowed types of ParameterHandler classes.

classmethod supported_parameters()[source]: Return a list of supported parameter attribute names.

store_matches(parameter_handler: ImproperTorsionHandler, topology: Topology) → None[source]: Populate self.slot_map with key-val pairs of slots and unique potential identifiers.

store_potentials(parameter_handler: ImproperTorsionHandler) → None[source]: Populate self.potentials with key-val pairs of [TopologyKey, PotentialKey].