openff.interchange.components.smirnoff.SMIRNOFFAngleHandler

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

Bases: SMIRNOFFPotentialHandler

Handler storing angle potentials as produced by a SMIRNOFF force field.

Fields

expression (Literal['k/2*(theta-angle)**2', 'k/2*(cos(theta)-cos(angle))**2'])
type (Literal['Angles'])

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

field expression: Literal['k/2*(theta-angle)**2', 'k/2*(cos(theta)-cos(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: AngleHandler) → None[source]: Populate self.potentials with key-val pairs of [TopologyKey, PotentialKey].