openff-interchange documentation

foyer

Models and utilities for processing Foyer data.

Classes

FoyerConnectedAtomsHandler	Base class for handlers storing valence potentials produced by a Foyer force field.
FoyerElectrostaticsHandler	Handler storing electrostatics potentials as produced by a Foyer force field.
FoyerHarmonicAngleHandler	Handler storing angle potentials as produced by a Foyer force field.
FoyerHarmonicBondHandler	Handler storing bond potentials as produced by a Foyer force field.
FoyerPeriodicImproperHandler	Handler storing periodic improper torsion potentials as produced by a Foyer force field.
FoyerPeriodicProperHandler	Handler storing periodic proper torsion potentials as produced by a Foyer force field.
FoyerRBImproperHandler	Handler storing Ryckaert-Bellemans improper torsion potentials as produced by a Foyer force field.
FoyerRBProperHandler	Handler storing Ryckaert-Bellemans proper torsion potentials as produced by a Foyer force field.
FoyerVDWHandler	Handler storing vdW potentials as produced by a Foyer force field.
POTENTIAL_KEY_SEPARATOR	str(object='') -> str str(bytes_or_buffer[, encoding[, errors]]) -> str
TYPE_CHECKING	bool(x) -> bool

Functions

get_handlers_callable

Map Foyer-style handlers from string identifiers.