Uses of Enum Class
ffx.potential.parameters.BondType.BondFunction
Package
Description
The Potential package implements molecular mechanics force fields with shared memory Parallel
Java and via OpenMM.
The Parameters package stores force field atom types, bond types, etc, and keywords that define
the potential.
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Uses of BondType.BondFunction in ffx.potential
Modifier and TypeMethodDescriptionForceFieldEnergy.getRestrainDistances
(BondType.BondFunction bondFunction) Getter for the fieldrestrainDistances
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Uses of BondType.BondFunction in ffx.potential.openmm
Modifier and TypeMethodDescriptionstatic Force
RestrainBondsForce.constructForce
(BondType.BondFunction bondFunction, OpenMMEnergy openMMEnergy) Add a Restrain-Bond force to the OpenMM System.ModifierConstructorDescriptionRestrainBondsForce
(BondType.BondFunction bondFunction, OpenMMEnergy openMMEnergy) Restrain Bond Force constructor. -
Uses of BondType.BondFunction in ffx.potential.parameters
Modifier and TypeFieldDescriptionBondType.bondFunction
The function used by the bond: harmonic or quartic with flat-bottom variants.Modifier 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.Modifier and TypeMethodDescriptionvoid
BondType.setBondFunction
(BondType.BondFunction bondFunction) void
ForceField.setBondFunction
(BondType.BondFunction bondFunction) The BondFunction in use by this ForceField.ModifierConstructorDescriptionBondType
(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.