Uses of Enum Class
ffx.potential.parameters.BondType.BondFunction
Packages that use BondType.BondFunction
Package
Description
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 Parameters package stores force field atom types, bond types, etc, and keywords that define
the potential.
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 BondType.BondFunction in ffx.potential.openmm
Methods in ffx.potential.openmm with parameters of type BondType.BondFunctionModifier and TypeMethodDescriptionstatic Force
RestrainDistanceForce.constructForce
(BondType.BondFunction bondFunction, OpenMMEnergy openMMEnergy) Add a Restrain-Bond force to the OpenMM System.Constructors in ffx.potential.openmm with parameters of type BondType.BondFunctionModifierConstructorDescriptionRestrainDistanceForce
(BondType.BondFunction bondFunction, RestrainDistancePotentialEnergy restrainDistancePotentialEnergy) Restrain Bond Force constructor. -
Uses of BondType.BondFunction in ffx.potential.parameters
Fields in ffx.potential.parameters declared as BondType.BondFunctionModifier and TypeFieldDescriptionBondType.bondFunction
The function used by the bond: harmonic or quartic with flat-bottom variants.Methods in ffx.potential.parameters that return BondType.BondFunctionModifier and TypeMethodDescriptionstatic BondType.BondFunction
Returns the enum constant of this class with the specified name.static BondType.BondFunction[]
BondType.BondFunction.values()
Returns an array containing the constants of this enum class, in the order they are declared.Methods in ffx.potential.parameters with parameters of type BondType.BondFunctionModifier and TypeMethodDescriptionvoid
BondType.setBondFunction
(BondType.BondFunction bondFunction) void
ForceField.setBondFunction
(BondType.BondFunction bondFunction) The BondFunction in use by this ForceField.Constructors in ffx.potential.parameters with parameters of type BondType.BondFunctionModifierConstructorDescriptionBondType
(int[] atomClasses, double forceConstant, double distance, BondType.BondFunction bondFunction) BondType constructor.BondType
(int[] atomClasses, double forceConstant, double distance, BondType.BondFunction bondFunction, double flatBottomRadius) BondType constructor. -
Uses of BondType.BondFunction in ffx.potential.terms
Methods in ffx.potential.terms with parameters of type BondType.BondFunctionModifier and TypeMethodDescriptionRestrainDistancePotentialEnergy.getRestrainDistances
(BondType.BondFunction bondFunction) Returns a list of restraint distances filtered by the specified bond function.