openff.interchange.components.smirnoff.SMIRNOFFAngleHandler

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

Handler storing angle 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 type: Literal['Angles'] = 'Angles'
field expression: Literal['k/2*(theta-angle)**2'] = 'k/2*(theta-angle)**2'
classmethod allowed_parameter_handlers()[source]

Return a list of allowed types of ParameterHandler classes.

classmethod supported_parameters()[source]

Return a list of supported parameter attributes.

classmethod valence_terms(topology)[source]

Return all angles in this topology.

store_potentials(parameter_handler: openff.toolkit.typing.engines.smirnoff.parameters.AngleHandler) → None[source]

Populate self.potentials with key-val pairs of [TopologyKey, PotentialKey].

classmethod f_from_toolkit(parameter_handler: AngleHandler, topology: Topology) → openff.interchange.components.smirnoff.T[source]

Create a SMIRNOFFAngleHandler from toolkit data.