openff-interchange documentation

openff.interchange.components.foyer.FoyerPeriodicProperHandler

pydantic model openff.interchange.components.foyer.FoyerPeriodicProperHandler

Bases: FoyerConnectedAtomsHandler

Handler storing periodic 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 = 'periodic_propers'

field expression: str = 'k*(1+cos(periodicity*theta-phase))'

field connection_attribute: str = 'propers'

field raise_on_missing_params: bool = False

get_params_with_units(params)

Get the parameters of this handler, tagged with units.