Uses of Class
ffx.potential.bonded.PiOrbitalTorsion
Packages that use PiOrbitalTorsion
Package
Description
The Bonded package implements bonded molecular mechanics terms such as bonds, angles, torsions,
etc.
The terms package contains analytical potential energy terms and their
gradients for bonded interactions (bond, angle, stretch-bend, torsions,
impropers, Urey-Bradley) and restraint terms used by Force Field X.
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Uses of PiOrbitalTorsion in ffx.potential.bonded
Methods in ffx.potential.bonded that return PiOrbitalTorsionModifier and TypeMethodDescriptionstatic PiOrbitalTorsion
PiOrbitalTorsion.piOrbitalTorsionFactory
(Bond bond, ForceField forceField) Attempt to create a new PiOrbitalTorsion based on the supplied bond and forceField.Methods in ffx.potential.bonded that return types with arguments of type PiOrbitalTorsionModifier and TypeMethodDescriptionMSNode.getPiOrbitalTorsionList()
Returns a List of all Pi-Orbital Torsions below the present MSNode. -
Uses of PiOrbitalTorsion in ffx.potential.terms
Methods in ffx.potential.terms that return PiOrbitalTorsionModifier and TypeMethodDescriptionPiOrbitalTorsionPotentialEnergy.getPiOrbitalTorsion
(int index) Get the PiOrbitalTorsion at a given index.PiOrbitalTorsionPotentialEnergy.getPiOrbitalTorsionArray()
Get an array of PiOrbitalTorsions in this term.Methods in ffx.potential.terms that return types with arguments of type PiOrbitalTorsionModifier and TypeMethodDescriptionPiOrbitalTorsionPotentialEnergy.getPiOrbitalTorsions()
Get an unmodifiable view of the PiOrbitalTorsions in this term.Methods in ffx.potential.terms with parameters of type PiOrbitalTorsionModifier and TypeMethodDescriptionboolean
PiOrbitalTorsionPotentialEnergy.addPiOrbitalTorsion
(PiOrbitalTorsion piOrbitalTorsion) Add a PiOrbitalTorsion to this term.boolean
PiOrbitalTorsionPotentialEnergy.addPiOrbitalTorsions
(PiOrbitalTorsion[] piOrbitalTorsions) Add an array of PiOrbitalTorsions to this term.boolean
PiOrbitalTorsionPotentialEnergy.removePiOrbitalTorsion
(PiOrbitalTorsion piOrbitalTorsion) Remove a PiOrbitalTorsion from this term.Method parameters in ffx.potential.terms with type arguments of type PiOrbitalTorsionModifier and TypeMethodDescriptionboolean
PiOrbitalTorsionPotentialEnergy.addPiOrbitalTorsions
(List<PiOrbitalTorsion> piOrbitalTorsions) Add a list of PiOrbitalTorsions to this term.Constructor parameters in ffx.potential.terms with type arguments of type PiOrbitalTorsionModifierConstructorDescriptionPiOrbitalTorsionPotentialEnergy
(String name, int forceGroup, List<PiOrbitalTorsion> piOrbitalTorsions) Create a PiOrbitalTorsionPotentialEnergy initialized with a list of terms and force group.PiOrbitalTorsionPotentialEnergy
(String name, Collection<PiOrbitalTorsion> piOrbitalTorsions) Create a PiOrbitalTorsionPotentialEnergy initialized with a collection of terms.