Uses of Class
ffx.potential.bonded.Angle
Packages that use Angle
Package
Description
The Potential package implements molecular mechanics force fields with shared memory Parallel
Java and via OpenMM.
The Bonded package implements bonded molecular mechanics terms such as bonds, angles, torsions,
etc.
The constraint package implements holonomic constraint algorithms used during
molecular dynamics and minimization, including CCMA, SETTLE, and SHAKE-style
constraints (as well as charge constraints).
The openmm package contains utilities to construct and run Force Field X
potentials on the OpenMM platform, including system builders, custom forces,
alchemical fixed-charge forces, and integrators tailored to FFX simulations.
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.
-
Uses of Angle in ffx.potential
Methods in ffx.potential that return AngleModifier and TypeMethodDescriptionAngle[]
ForceFieldEnergy.getAngles
(AngleType.AngleMode angleMode) Getter for the fieldangles
with onlyAngleMode
angles. -
Uses of Angle in ffx.potential.bonded
Fields in ffx.potential.bonded declared as AngleModifier and TypeFieldDescriptionprotected final Angle
StretchBend.angle
Angle this Stretch-Bend is based on.protected final Angle
UreyBradley.angle
The Angle this UreyBradley term is based on.Methods in ffx.potential.bonded that return AngleMethods in ffx.potential.bonded that return types with arguments of type AngleModifier and TypeMethodDescriptionMSNode.getAngleList()
Returns a List of all Angles below the present MSNode.Atom.getAngles()
Getter for the fieldangles
.Methods in ffx.potential.bonded with parameters of type AngleModifier and TypeMethodDescriptionstatic OutOfPlaneBend
OutOfPlaneBend.outOfPlaneBendFactory
(Angle angle, ForceField forceField) Attempt to create a new OutOfPlaneBend instance for a given Angle and Force Field.void
setAnglestatic TorsionTorsion
TorsionTorsion.torsionTorsionFactory
(Bond firstBond, Angle angle, Bond lastBond, ForceField forceField) torsionTorsionFactory.static UreyBradley
UreyBradley.ureyBradlyFactory
(Angle angle, ForceField forceField) Attempt to create a new UreyBradley for the specified Angle.Constructors in ffx.potential.bonded with parameters of type AngleModifierConstructorDescriptionAngleTorsion
(Angle an1, Angle an2) AngleTorsion constructor.OutOfPlaneBend
(Angle angle, Atom atom) OutOfPlaneBend constructor.StretchBend
(Angle a) Constructor for the Stretch-Bend class.TorsionTorsion
(Bond firstBond, Angle angle, Bond lastBond, boolean reversed) Torsion-Torsion constructor.UreyBradley
(Angle a, UreyBradleyType ureyBradleyType) Constructor for the UreyBradley class. -
Uses of Angle in ffx.potential.constraint
Methods in ffx.potential.constraint with parameters of type AngleModifier and TypeMethodDescriptionstatic SettleConstraint
SettleConstraint.settleFactory
(Angle a012) Constructs a SETTLE constraint from an angle and its two bonds. -
Uses of Angle in ffx.potential.openmm
Methods in ffx.potential.openmm with parameters of type AngleModifier and TypeMethodDescriptionprotected boolean
OpenMMSystem.isHydrogenAngle
(Angle angle) Check to see if an angle is a hydrogen angle. -
Uses of Angle in ffx.potential.terms
Methods in ffx.potential.terms that return AngleModifier and TypeMethodDescriptionAnglePotentialEnergy.getAngle
(int index) Get the Angle at a given index.Angle[]
AnglePotentialEnergy.getAngleArray()
Get an array of Angles in this term.Methods in ffx.potential.terms that return types with arguments of type AngleModifier and TypeMethodDescriptionAnglePotentialEnergy.getAngles()
Get an unmodifiable view of the Angles in this term.Methods in ffx.potential.terms with parameters of type AngleModifier and TypeMethodDescriptionboolean
Add an Angle to this term.boolean
Add an array of Angles to this term.boolean
AnglePotentialEnergy.removeAngle
(Angle angle) Remove an Angle from this term.Method parameters in ffx.potential.terms with type arguments of type AngleModifier and TypeMethodDescriptionboolean
Add a list of Angles to this term.Constructor parameters in ffx.potential.terms with type arguments of type AngleModifierConstructorDescriptionAnglePotentialEnergy
(String name, int forceGroup, List<Angle> angles) Create an AnglePotentialEnergy initialized with a list of angles and force group.AnglePotentialEnergy
(String name, Collection<Angle> angles) Create an AnglePotentialEnergy initialized with a collection of angles.