Package etomica.virial

Class BoxCluster

java.lang.Object

etomica.box.Box

etomica.virial.BoxCluster

public class BoxCluster
extends Box

Field Summary

Fields

Modifier and Type	Field	Description
protected AtomPairSet	aPairSet
protected long	cPairID
protected CoordinatePairSet	cPairSet
protected CoordinatePairSet	cPairSetTmp
protected CoordinatePairSet	cPairTrialSet
protected boolean	isTrial
protected IMoleculePositionDefinition	positionDefinition
protected ClusterWeight	sampleCluster
protected Space	space

Fields inherited from class etomica.box.Box

allMoleculeList, leafList, moleculeLists

Constructor Summary

Constructors

Constructor	Description
BoxCluster(ClusterWeight cluster, Space _space)	Constructor for BoxCluster.
BoxCluster(ClusterWeight cluster, Space _space, double L)

Method Summary

Modifier and Type	Method	Description
void	acceptNotify()	Informs the box that the trial was accepted so it will keep the new coordinate pairs.
AtomPairSet	getAPairSet()
long	getCPairID()
CoordinatePairSet	getCPairSet()	returns the current coordinate pair set
ClusterWeight	getSampleCluster()	returns the cluster used for sampling in this box
void	rejectNotify()	Informs the box that the trial was rejected so it will go back to the old coordinate pairs.
void	setPositionDefinition(IMoleculePositionDefinition positionDefinition)
void	trialNotify()	Inform the box that a trial move has been made so it can update the coordinate pairs.

Methods inherited from class etomica.box.Box

addMolecule, addNewMolecule, addSpeciesNotify, getBoundary, getEventManager, getIndex, getLeafList, getMoleculeList, getMoleculeList, getNMolecules, getSpace, notifyNewMolecules, removeMolecule, removeSpeciesNotify, setDensity, setIndex, setNMolecules, toString

Methods inherited from class java.lang.Object

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

Field Detail

isTrial

protected boolean isTrial

cPairSet

protected CoordinatePairSet cPairSet

cPairTrialSet

protected CoordinatePairSet cPairTrialSet

cPairSetTmp

protected CoordinatePairSet cPairSetTmp

aPairSet

protected AtomPairSet aPairSet

cPairID

protected long cPairID

sampleCluster

protected final ClusterWeight sampleCluster

space

protected final Space space

positionDefinition

protected IMoleculePositionDefinition positionDefinition

Constructor Detail

BoxCluster

public BoxCluster(ClusterWeight cluster,
                  Space _space)

Constructor for BoxCluster.

BoxCluster

public BoxCluster(ClusterWeight cluster,
                  Space _space,
                  double L)

Method Detail

setPositionDefinition

public void setPositionDefinition(IMoleculePositionDefinition positionDefinition)

getCPairSet

public CoordinatePairSet getCPairSet()

returns the current coordinate pair set

getCPairID

public long getCPairID()

getAPairSet

public AtomPairSet getAPairSet()

getSampleCluster

public ClusterWeight getSampleCluster()

returns the cluster used for sampling in this box

trialNotify

public void trialNotify()

Inform the box that a trial move has been made so it can update the coordinate pairs. If molecule is not null, only coordinate pairs containing that atom are updated.

acceptNotify

public void acceptNotify()

Informs the box that the trial was accepted so it will keep the new coordinate pairs.

rejectNotify

public void rejectNotify()

Informs the box that the trial was rejected so it will go back to the old coordinate pairs.