openff.interchange.components.smirnoff.SMIRNOFFConstraintHandler

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

Bases: SMIRNOFFPotentialHandler

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

Fields

constraints (Dict[openff.interchange.models.PotentialKey, bool])
expression (Literal[''])
type (Literal['Constraints'])

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

field expression: Literal[''] = ''

field constraints: Dict[PotentialKey, bool] = {}

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_constraints(parameter_handlers: Any, topology: Topology) → None[source]: Store constraints.