openff.interchange.components.smirnoff.SMIRNOFFImproperTorsionHandler
- pydantic model openff.interchange.components.smirnoff.SMIRNOFFImproperTorsionHandler[source]
Handler storing improper torsions potentials as produced by a SMIRNOFF force field.
- Config
arbitrary_types_allowed: bool = True
json_encoders: dict = {<class ‘openff.units.units.Quantity’>: <function custom_quantity_encoder at 0x7fdff3466f70>}
json_loads: function = <function json_loader at 0x7fdff3459280>
validate_assignment: bool = True
- Fields
- 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: _OFFBioTop) None [source]
Populate self.slot_map with key-val pairs of slots and unique potential identifiers.
- store_potentials(parameter_handler: openff.toolkit.typing.engines.smirnoff.parameters.ImproperTorsionHandler) None [source]
Populate self.potentials with key-val pairs of [TopologyKey, PotentialKey].