Package ffx.openmm

Class CustomExternalForce

java.lang.Object

ffx.openmm.Force

ffx.openmm.CustomExternalForce

Direct Known Subclasses:

RestrainPositionsForce

public class CustomExternalForce
extends Force

Custom External Force.

Field Summary

Fields inherited from class ffx.openmm.Force

pointer

Constructor Summary

Constructors

Constructor	Description
CustomExternalForce(String energy)	OpenMM CustomExternalForce constructor.

Method Summary

Modifier and Type	Method	Description
void	addParticle(int index, DoubleArray particleParameters)	Add a particle to the force.
void	addPerParticleParameter(String parameterName)	Add per particle parameter.
void	destroy()	Destroy the force.

Methods inherited from class ffx.openmm.Force

getForceGroup, getForceIndex, getName, getPointer, setForceGroup, setForceIndex, setName, usesPeriodicBoundaryConditions

Methods inherited from class java.lang.Object

clone, equals, finalize, getClass, hashCode, notify, notifyAll, toString, wait, wait, wait

Constructor Details

CustomExternalForce

public CustomExternalForce(String energy)

OpenMM CustomExternalForce constructor.

Parameters:

energy - The energy expression.

Method Details

addPerParticleParameter

public void addPerParticleParameter(String parameterName)

Add per particle parameter.

Parameters:

parameterName - The parameter name.

addParticle

public void addParticle(int index,
 DoubleArray particleParameters)

Add a particle to the force.

Parameters:

index - The particle index.

particleParameters - The particle parameters.

destroy

public void destroy()

Destroy the force.