Package etomica.virial

Class ClusterCoupledFlippedMultivalue

java.lang.Object

etomica.virial.ClusterCoupledFlippedMultivalue

All Implemented Interfaces:

ClusterAbstract, ClusterAbstractMultivalue

public class ClusterCoupledFlippedMultivalue
extends java.lang.Object
implements ClusterAbstractMultivalue

Field Summary

Fields

Modifier and Type	Field	Description
double	BDAccFrac
protected long	BDcount
protected boolean	countflips
protected long	cPairID
boolean	doPrint
double	FlipAccFrac
protected long	flipcount
protected boolean[]	flippedAtoms
HistogramExpanding	histe
protected long	lastCPairID
protected double[]	lastValue
boolean	lastValueBD
protected double	minFlipDistance
protected int	nDer
protected IMoleculePositionDefinition	positionDefinition
protected boolean[][]	printed
protected boolean	pushme
IRandom	random
protected Space	space
protected double	tol
protected long	totcount
protected double[]	value
boolean	valueBD
protected ClusterAbstractMultivalue	wrappedCluster
protected ClusterAbstractMultivalue	wrappedClusterBD

Constructor Summary

Constructors

Constructor	Description
ClusterCoupledFlippedMultivalue(ClusterAbstractMultivalue cluster, ClusterAbstractMultivalue clusterBD, Space space, double minFlipDistance, int nDer, double tol)	cluster must have caching disabled configurations will be flipped when the minimum distance between any two molecules exceeds minFlipDistance.

Method Summary

Modifier and Type	Method	Description
protected void	flip(IMolecule flippedMolecule)
double[]	getAllLastValues(BoxCluster box)
long	getBDcount()
double	getBDfrac()
long	getBDtotcount()
long	getflipcount()
double	getflipfrac()
int	getNumValues()
ClusterAbstract	getSubCluster()
long	gettotcount()
ClusterAbstract	makeCopy()	Returns another instance of an identical cluster (shallow copy).
int	pointCount()	Number of points in the cluster.
void	setBDAccFrac(double p, IRandom rng)
void	setTemperature(double temperature)
double	value(BoxCluster box)	Value of this cluster for the given pairset at the specified reciprocal temperature.
boolean	valueIsBD()

Methods inherited from class java.lang.Object

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

Field Detail

wrappedCluster

protected final ClusterAbstractMultivalue wrappedCluster

wrappedClusterBD

protected final ClusterAbstractMultivalue wrappedClusterBD

space

protected final Space space

flippedAtoms

protected final boolean[] flippedAtoms

minFlipDistance

protected final double minFlipDistance

nDer

protected final int nDer

tol

protected final double tol

countflips

protected final boolean countflips

See Also:

Constant Field Values

cPairID

protected long cPairID

lastCPairID

protected long lastCPairID

value

protected double[] value

lastValue

protected double[] lastValue

positionDefinition

protected IMoleculePositionDefinition positionDefinition

flipcount

protected long flipcount

BDcount

protected long BDcount

totcount

protected long totcount

pushme

protected boolean pushme

histe

public HistogramExpanding histe

printed

protected boolean[][] printed

doPrint

public boolean doPrint

random

public IRandom random

BDAccFrac

public double BDAccFrac

FlipAccFrac

public double FlipAccFrac

valueBD

public boolean valueBD

lastValueBD

public boolean lastValueBD

Constructor Detail

ClusterCoupledFlippedMultivalue

public ClusterCoupledFlippedMultivalue(ClusterAbstractMultivalue cluster,
                                       ClusterAbstractMultivalue clusterBD,
                                       Space space,
                                       double minFlipDistance,
                                       int nDer,
                                       double tol)

cluster must have caching disabled configurations will be flipped when the minimum distance between any two molecules exceeds minFlipDistance. set minFlipDistance to 0 to always flip.

Method Detail

makeCopy

public ClusterAbstract makeCopy()

Description copied from interface: ClusterAbstract

Returns another instance of an identical cluster (shallow copy).

Specified by:

makeCopy in interface ClusterAbstract

pointCount

public int pointCount()

Description copied from interface: ClusterAbstract

Number of points in the cluster.

Specified by:

pointCount in interface ClusterAbstract

Returns:

int

getSubCluster

public ClusterAbstract getSubCluster()

setBDAccFrac

public void setBDAccFrac(double p,
                         IRandom rng)

valueIsBD

public boolean valueIsBD()

value

public double value(BoxCluster box)

Description copied from interface: ClusterAbstract

Value of this cluster for the given pairset at the specified reciprocal temperature.

Specified by:

value in interface ClusterAbstract

getNumValues

public int getNumValues()

Specified by:

getNumValues in interface ClusterAbstractMultivalue

Returns:

number of values returned by getAllLastValues

getAllLastValues

public double[] getAllLastValues(BoxCluster box)

Specified by:

getAllLastValues in interface ClusterAbstractMultivalue

flip

protected void flip(IMolecule flippedMolecule)

setTemperature

public void setTemperature(double temperature)

Specified by:

setTemperature in interface ClusterAbstract

getflipcount

public long getflipcount()

gettotcount

public long gettotcount()

getflipfrac

public double getflipfrac()

getBDcount

public long getBDcount()

getBDtotcount

public long getBDtotcount()

getBDfrac

public double getBDfrac()