Uses of Class
ffx.potential.bonded.RestrainPosition
Packages that use RestrainPosition
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 RestrainPosition in ffx.potential.bonded
Methods in ffx.potential.bonded that return RestrainPositionModifier and TypeMethodDescriptionstatic RestrainPosition
RestrainPosition.parseRestrainPosition
(String line, Atom[] atoms, boolean useLambda) Parse a Restrain-Position line and return a RestrainPosition instance.static RestrainPosition[]
RestrainPosition.parseRestrainPositions
(MolecularAssembly molecularAssembly) -
Uses of RestrainPosition in ffx.potential.terms
Methods in ffx.potential.terms that return RestrainPositionModifier and TypeMethodDescriptionRestrainPositionPotentialEnergy.getRestrainPosition
(int index) Get the RestrainPosition at a given index.RestrainPositionPotentialEnergy.getRestrainPositionArray()
Get an array of RestrainPositions in this term.Methods in ffx.potential.terms that return types with arguments of type RestrainPositionModifier and TypeMethodDescriptionRestrainPositionPotentialEnergy.getRestrainPositions()
Get an unmodifiable view of the RestrainPositions in this term.Methods in ffx.potential.terms with parameters of type RestrainPositionModifier and TypeMethodDescriptionboolean
RestrainPositionPotentialEnergy.addRestrainPosition
(RestrainPosition restrainPosition) Add a RestrainPosition to this term.boolean
RestrainPositionPotentialEnergy.addRestrainPositions
(RestrainPosition[] restrainPositions) Add an array of RestrainPositions to this term.boolean
RestrainPositionPotentialEnergy.removeRestrainPosition
(RestrainPosition restrainPosition) Remove a RestrainPosition from this term.Method parameters in ffx.potential.terms with type arguments of type RestrainPositionModifier and TypeMethodDescriptionboolean
RestrainPositionPotentialEnergy.addRestrainPositions
(List<RestrainPosition> restrainPositions) Add a list of RestrainPositions to this term.Constructor parameters in ffx.potential.terms with type arguments of type RestrainPositionModifierConstructorDescriptionRestrainPositionPotentialEnergy
(String name, int forceGroup, List<RestrainPosition> restrainPositions) Create a RestrainPositionPotentialEnergy initialized with a list of terms and force group.RestrainPositionPotentialEnergy
(String name, Collection<RestrainPosition> restrainPositions) Create a RestrainPositionPotentialEnergy initialized with a collection of terms.