Package etomica.modules.rosmosis

Class PotentialCalculationTorqueSumWallForce

java.lang.Object

etomica.potential.PotentialCalculationTorqueSum

etomica.modules.rosmosis.PotentialCalculationTorqueSumWallForce

All Implemented Interfaces:

IPotentialCalculationWallForce, PotentialCalculation, PotentialCalculationMolecular

public class PotentialCalculationTorqueSumWallForce
extends PotentialCalculationTorqueSum
implements IPotentialCalculationWallForce

Sums the force and torque on each iterated atom or molecule and adds it to the agent associated with the atom.

Field Summary

Fields

Modifier and Type	Field	Description
protected IPotential	potentialTether
protected double	wallForce

Fields inherited from class etomica.potential.PotentialCalculationTorqueSum

leafAgentManager, moleculeAgentManager

Constructor Summary

Constructors

Constructor	Description
PotentialCalculationTorqueSumWallForce(IPotential potentialTether)

Method Summary

Modifier and Type	Method	Description
void	doCalculation(IAtomList atoms, IPotentialAtomic potential)	Adds forces and torques due to given potential acting on the atoms produced by the iterator.
void	doCalculation(IMoleculeList atoms, IPotentialMolecular potential)	Adds forces and torques due to given potential acting on the atoms produced by the iterator.
double	getWallForce()
void	reset()	Re-zeros the force vectors.
void	setAgentManager(AtomLeafAgentManager agentManager)
void	setMoleculeAgentManager(MoleculeAgentManager newMoleculeAgentManager)

Methods inherited from class java.lang.Object

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

Field Detail

potentialTether

protected final IPotential potentialTether

wallForce

protected double wallForce

Constructor Detail

PotentialCalculationTorqueSumWallForce

public PotentialCalculationTorqueSumWallForce(IPotential potentialTether)

Method Detail

setAgentManager

public void setAgentManager(AtomLeafAgentManager agentManager)

Overrides:

setAgentManager in class PotentialCalculationTorqueSum

setMoleculeAgentManager

public void setMoleculeAgentManager(MoleculeAgentManager newMoleculeAgentManager)

Overrides:

setMoleculeAgentManager in class PotentialCalculationTorqueSum

reset

public void reset()

Re-zeros the force vectors.

Overrides:

reset in class PotentialCalculationTorqueSum

doCalculation

public void doCalculation(IMoleculeList atoms,
                          IPotentialMolecular potential)

Adds forces and torques due to given potential acting on the atoms produced by the iterator. Implemented for 1-, 2- and N-body potentials.

Specified by:

doCalculation in interface PotentialCalculationMolecular

Overrides:

doCalculation in class PotentialCalculationTorqueSum

Parameters:

atoms - IAtomSet the atom sets for which the calculation is performed.

potential - The potential used to apply the action defined by this class.

doCalculation

public void doCalculation(IAtomList atoms,
                          IPotentialAtomic potential)

Description copied from class: PotentialCalculationTorqueSum

Adds forces and torques due to given potential acting on the atoms produced by the iterator. Implemented for 1-, 2- and N-body potentials.

Specified by:

doCalculation in interface PotentialCalculation

Overrides:

doCalculation in class PotentialCalculationTorqueSum

Parameters:

atoms - IAtomSet the atom sets for which the calculation is performed.

potential - The potential used to apply the action defined by this class.

getWallForce

public double getWallForce()

Specified by:

getWallForce in interface IPotentialCalculationWallForce