openff.interchange.components.foyer.FoyerConnectedAtomsHandler

pydantic model openff.interchange.components.foyer.FoyerConnectedAtomsHandler[source]

Base class for handlers storing valence potentials produced by a Foyer 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

connection_attribute (str)

field connection_attribute: str = ''

store_matches(atom_slots: Dict[openff.interchange.models.TopologyKey, openff.interchange.models.PotentialKey], topology: _OFFBioTop) → None[source]: Populate self.slot_map with key-val pairs of [TopologyKey, PotentialKey].

store_potentials(force_field: Forcefield) → None[source]: Populate self.potentials with key-val pairs of [PotentialKey, Potential].

abstract get_params_with_units(params)[source]: Get the parameters of this handler, tagged with units.