openff.interchange.components.foyer.FoyerRBProperHandler

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

Bases: FoyerConnectedAtomsHandler

Handler storing Ryckaert-Bellemans proper torsion potentials as produced by a Foyer force field.

Fields

connection_attribute (str)
expression (str)
raise_on_missing_params (bool)
type (str)

field type: str = 'rb_propers'

field expression: str = 'C0 * cos(phi)**0 + C1 * cos(phi)**1 + C2 * cos(phi)**2 + C3 * cos(phi)**3 + C4 * cos(phi)**4 + C5 * cos(phi)**5'

field connection_attribute: str = 'propers'

field raise_on_missing_params: bool = False

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

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