Package ffx.potential.openmm

Class OpenMMCustomExternalForce

java.lang.Object

ffx.potential.openmm.OpenMMForce

ffx.potential.openmm.OpenMMCustomExternalForce

Direct Known Subclasses:

RestrainPositionsForce

public class OpenMMCustomExternalForce
extends OpenMMForce

OpenMM CustomExternalForce.

Field Summary

Fields inherited from class ffx.potential.openmm.OpenMMForce

forcePointer

Constructor Summary

Constructors

Constructor	Description
OpenMMCustomExternalForce(String energy)	OpenMM CustomExternalForce constructor.

Method Summary

Modifier and Type	Method	Description
void	addParticle(int index, OpenMMDoubleArray 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.potential.openmm.OpenMMForce

constructForce, 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

OpenMMCustomExternalForce

public OpenMMCustomExternalForce(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,
 OpenMMDoubleArray particleParameters)

Add a particle to the force.

Parameters:

index - The particle index.

particleParameters - The particle parameters.

destroy

public void destroy()

Destroy the force.