Uses of Class
ffx.potential.parameters.PiOrbitalTorsionType
Package
Description
The Bonded package implements bonded molecular mechanics terms such as bonds, angles, torsions,
etc.
The Parameters package stores force field atom types, bond types, etc, and keywords that define
the potential.
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Uses of PiOrbitalTorsionType in ffx.potential.bonded
Modifier and TypeFieldDescriptionPiOrbitalTorsion.piOrbitalTorsionType
A reference to the Pi-Torsion type in use.Modifier and TypeMethodDescriptionvoid
PiOrbitalTorsion.setPiOrbitalTorsionType
(PiOrbitalTorsionType piOrbitalTorsionType) Set the PiOrbitalTorsionType. -
Uses of PiOrbitalTorsionType in ffx.potential.parameters
Modifier and TypeMethodDescriptionstatic PiOrbitalTorsionType
PiOrbitalTorsionType.average
(PiOrbitalTorsionType piOrbitalTorsionType1, PiOrbitalTorsionType piOrbitalTorsionType2, int[] atomClasses) Average two PiTorsionType instances.ForceField.getPiOrbitalTorsionType
(AtomType a1, AtomType a2) getPiOrbitalTorsionTypeForceField.getPiOrbitalTorsionType
(String key) getPiOrbitalTorsionTypestatic PiOrbitalTorsionType
Construct a PiTorsionType from an input string.PiOrbitalTorsionType.patchClasses
(HashMap<AtomType, AtomType> typeMap) Remap new atom classes to known internal ones.Modifier and TypeMethodDescriptionstatic PiOrbitalTorsionType
PiOrbitalTorsionType.average
(PiOrbitalTorsionType piOrbitalTorsionType1, PiOrbitalTorsionType piOrbitalTorsionType2, int[] atomClasses) Average two PiTorsionType instances.