openff.interchange.components.smirnoff.SMIRNOFFConstraintHandler

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

Handler storing constraint 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

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

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

field expression: Literal[''] = ''

field constraints: Dict[openff.interchange.models.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: _OFFBioTop) → None[source]: Store constraints.