Uses of Class
ffx.potential.bonded.Torsion
Packages that use Torsion
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 Torsion in ffx.potential.bonded
Fields in ffx.potential.bonded declared as TorsionModifier and TypeFieldDescriptionfinal Torsion[]
TorsionTorsion.torsions
The two torsions that are coupled.Methods in ffx.potential.bonded that return TorsionModifier and TypeMethodDescriptionAtom.getTorsion
(Atom atom2, Atom atom3, Atom atom4) Finds a Torsion which contains this atom, and atoms 2, 3, and 4.Methods in ffx.potential.bonded that return types with arguments of type TorsionModifier and TypeMethodDescriptionPolymer.getPhiPsiList()
Get lists of the phi and psi torsions.MSNode.getTorsionList()
Returns a List of all Torsions below the present MSNode.Atom.getTorsions()
Getter for the fieldtorsions
.Methods in ffx.potential.bonded with parameters of type TorsionModifier and TypeMethodDescriptionvoid
Atom.setTorsion
(Torsion torsion) setTorsionstatic StretchTorsion
StretchTorsion.stretchTorsionFactory
(Torsion torsion, ForceField forceField) Attempt to create a new StretchTorsion based on the supplied torsion. -
Uses of Torsion in ffx.potential.terms
Methods in ffx.potential.terms that return TorsionModifier and TypeMethodDescriptionRestrainTorsionPotentialEnergy.getRestrainTorsion
(int index) Get a restrain torsion at an index.Torsion[]
RestrainTorsionPotentialEnergy.getRestrainTorsionArray()
Get an array of restrain torsions.TorsionPotentialEnergy.getTorsion
(int index) Get the Torsion at a given index.Torsion[]
TorsionPotentialEnergy.getTorsionArray()
Get an array of Torsions in this term.Methods in ffx.potential.terms that return types with arguments of type TorsionModifier and TypeMethodDescriptionRestrainTorsionPotentialEnergy.getRestrainTorsions()
Get an unmodifiable view of restrain torsions.TorsionPotentialEnergy.getTorsions()
Get an unmodifiable view of the Torsions in this term.Methods in ffx.potential.terms with parameters of type TorsionModifier and TypeMethodDescriptionboolean
RestrainTorsionPotentialEnergy.addRestrainTorsion
(Torsion torsion) Add a single restrain torsion.boolean
RestrainTorsionPotentialEnergy.addRestrainTorsions
(Torsion[] torsions) Add an array of restrain torsions.boolean
TorsionPotentialEnergy.addTorsion
(Torsion torsion) Add a Torsion to this term.boolean
TorsionPotentialEnergy.addTorsions
(Torsion[] torsions) Add an array of Torsions to this term.boolean
RestrainTorsionPotentialEnergy.removeRestrainTorsion
(Torsion torsion) Remove a restrain torsion.boolean
TorsionPotentialEnergy.removeTorsion
(Torsion torsion) Remove a Torsion from this term.Method parameters in ffx.potential.terms with type arguments of type TorsionModifier and TypeMethodDescriptionboolean
RestrainTorsionPotentialEnergy.addRestrainTorsions
(List<Torsion> torsions) Add a list of restrain torsions.boolean
TorsionPotentialEnergy.addTorsions
(List<Torsion> torsions) Add a list of Torsions to this term.Constructor parameters in ffx.potential.terms with type arguments of type TorsionModifierConstructorDescriptionRestrainTorsionPotentialEnergy
(String name, int forceGroup, List<Torsion> restrainTorsions) Create a RestrainTorsionPotentialEnergy initialized with a list of torsions and force group.RestrainTorsionPotentialEnergy
(String name, Collection<Torsion> restrainTorsions) Create a RestrainTorsionPotentialEnergy initialized with a collection of torsions.TorsionPotentialEnergy
(String name, int forceGroup, List<Torsion> torsions) Create a TorsionPotentialEnergy initialized with a list of torsions and force group.TorsionPotentialEnergy
(String name, Collection<Torsion> torsions) Create a TorsionPotentialEnergy initialized with a collection of torsions.