Uses of Interface
ffx.numerics.switching.UnivariateSwitchingFunction

Packages that use UnivariateSwitchingFunction

Package	Description
ffx.numerics.switching	The Switching package implements univariate switching functions.
ffx.potential	The Potential package implements molecular mechanics force fields with shared memory Parallel Java and via OpenMM.
ffx.potential.bonded	The Bonded package implements bonded molecular mechanics terms such as bonds, angles, torsions, etc.
ffx.potential.cli	The Potential CLI package defines reusable options for PicoCLI command line scripts.
ffx.potential.openmm	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.

Uses of UnivariateSwitchingFunction in ffx.numerics.switching

Classes in ffx.numerics.switching that implement UnivariateSwitchingFunction

Modifier and Type	Class	Description
class	BellCurveSwitch	Implements a bell-shaped switching function by stitching together a pair of MultiplicativeSwitches. f(midpoint - 0.5*width) = 0, f(midpoint) = 1, f(midpoint + 0.5*width) = 0.
class	CompositeSwitch	The CompositeSwitch uses a primary switch in the middle, and then two secondary switches at the ends of the path to smoothly switch to the primary switch.
class	ConstantSwitch	The ConstantSwitch returns a constant value for all input values x.
class	LinearDerivativeSwitch	A LinearDerivativeSwitch interpolates between 0 and 1 vi f(x) = 2*x - x^2.
class	MultiplicativeSwitch	The 6 coefficients of the multiplicative polynomial switch are unique given the distances "a" and "b".
class	PowerSwitch	A PowerSwitch interpolates between 0 and 1 vi f(x) = (ax)^beta, where x must be between 0 and 1/a.
class	SquaredTrigSwitch	A SquaredTrigSwitch implements a 0-1 switch of form f(x) = sin^2(ax) or of form f(x) = cos^2(ax).

Methods in ffx.numerics.switching that return UnivariateSwitchingFunction

Modifier and Type	Method	Description
static UnivariateSwitchingFunction	UnivariateFunctionFactory.parseUSF(String[] toks)	Parse an array of Strings describing a univariate switching function.
static UnivariateSwitchingFunction	UnivariateFunctionFactory.parseUSF(String[] toks, int offset)	Parse an array of Strings terminating in the description of a univariate switching function.

Constructors in ffx.numerics.switching with parameters of type UnivariateSwitchingFunction

Modifier	Constructor	Description
	CompositeSwitch(UnivariateSwitchingFunction primary)	Builds a switch that uses MultiplicativeSwitches at the ends (0-0.1, 0.9-1.0) to smoothly interpolate a provided switch between 0 and 1 with smooth 2'nd and 3'rd derivatives.
	CompositeSwitch(UnivariateSwitchingFunction primary, UnivariateSwitchingFunction start, UnivariateSwitchingFunction end, double lbPrimary, double ubPrimary)	Builds a composite switch in .
	CompositeSwitch(UnivariateSwitchingFunction primary, UnivariateSwitchingFunction start, UnivariateSwitchingFunction end, double lbPrimary, double ubPrimary, double lb, double ub)	Builds a composite switch in .

Uses of UnivariateSwitchingFunction in ffx.potential

Methods in ffx.potential that return UnivariateSwitchingFunction

Modifier and Type	Method	Description
UnivariateSwitchingFunction	DualTopologyEnergy.getSwitch()	Returns the switching function used by this DualTopologyEnergy; presently, switching functions are immutable, and cannot be changed once a DualTopologyEnergy is constructed.

Methods in ffx.potential with parameters of type UnivariateSwitchingFunction

Modifier and Type	Method	Description
static DualTopologyEnergy	DualTopologyEnergy.energyFactory(MolecularAssembly molecularAssembly1, MolecularAssembly molecularAssembly2, UnivariateSwitchingFunction switchFunction)	Static factory method to create a DualTopologyEnergy, possibly via FFX or OpenMM implementations.

Constructors in ffx.potential with parameters of type UnivariateSwitchingFunction

Modifier	Constructor	Description
	DualTopologyEnergy(MolecularAssembly topology1, MolecularAssembly topology2, UnivariateSwitchingFunction switchFunction)	Constructor for DualTopologyEnergy.

Uses of UnivariateSwitchingFunction in ffx.potential.bonded

Constructors in ffx.potential.bonded with parameters of type UnivariateSwitchingFunction

Modifier	Constructor	Description
	RestrainDistance(Atom a1, Atom a2, Crystal crystal, boolean lambdaTerm, double lamStart, double lamEnd, UnivariateSwitchingFunction sf)	Creates a distance restraint between two Atoms.

Uses of UnivariateSwitchingFunction in ffx.potential.cli

Methods in ffx.potential.cli that return UnivariateSwitchingFunction

Modifier and Type	Method	Description
UnivariateSwitchingFunction	TopologyOptions.getSwitchingFunction()	Return the switching function between topology energies.

Methods in ffx.potential.cli with parameters of type UnivariateSwitchingFunction

Modifier and Type	Method	Description
Potential	TopologyOptions.getTopology(MolecularAssembly[] topologies, UnivariateSwitchingFunction sf, List<Integer> uniqueA, List<Integer> uniqueB, int numParallel, StringBuilder sb)	Configure a Dual-, Quad- or Oct- Topology.

Uses of UnivariateSwitchingFunction in ffx.potential.openmm

Constructors in ffx.potential.openmm with parameters of type UnivariateSwitchingFunction

Modifier	Constructor	Description
	OpenMMDualTopologyEnergy(MolecularAssembly topology1, MolecularAssembly topology2, UnivariateSwitchingFunction switchFunction, Platform requestedPlatform)	Constructor for DualTopologyEnergy.