Package etomica.virial

Class ClusterSumHS

java.lang.Object

etomica.virial.ClusterSum

etomica.virial.ClusterSumHS

All Implemented Interfaces:

ClusterAbstract, ClusterWheatley

public class ClusterSumHS
extends ClusterSum
implements ClusterWheatley

This class calculates the sum of all biconnected clusters for hard spheres. Configurations are screened, but the value is computed using standard diagrams.

See Also:

Serialized Form

Field Summary

Fields

Modifier and Type	Field	Description
protected int	cliqueCount
protected int[]	cliqueList
protected boolean[]	cliqueSet
protected int	eCliqueCount
protected int[]	eCliqueList
protected int	edgeCount
protected double[]	fA
protected double[]	fB
protected double[]	fC
protected double[]	fQ
protected int[]	fullBondMask
protected int	n
protected byte[]	outDegree
protected boolean	precalcQ

Fields inherited from class etomica.virial.ClusterSum

beta, clusters, clusterWeights, cPairID, debug, doCaching, f, fOld, fullBondIndexArray, fValues, lastCPairID, lastValue, value

Constructor Summary

Constructors

Constructor	Description
ClusterSumHS(ClusterBonds[] subClusters, double[] subClusterWeights, MayerFunction f)

Method Summary

Modifier and Type	Method	Description
protected void	calcFullFQ(BoxCluster box)	This calculates all FQ values given that the entries for pairs have already been populated.
double	calcValue(BoxCluster box)	Returns the cluster value for the given configuration.
boolean	checkConfig(BoxCluster box)	Determines whether the configuration is zero-valued or not.
protected boolean	cliqueCheck(int clique, int nfm1)	Checks to see if the set |clique| is a clique separator.
int	getCliqueCount()	Returns number of cliques for the configuration passed to checkConfig
int[]	getCliques()	Returns an array containing the clique sets for the configuration passed to checkConfig.
int	getECliqueCount()	Returns number of e-bond cliques for the configuration passed to checkConfig
int[]	getECliques()	Returns an array containing the clique sets (based on e-bonds) for the configuration passed to checkConfig.
int	getEdgeCount()	Returns edgeCount (number of overlaps) of configuration passed to checkConfig
int[]	getFullBondMask()	Returns number bond mask for all points for the configuration passed to checkConfig
byte[]	getOutDegree()	Returns outDegee (number of bonds for each point) of the configuration passed to checkConfig
ClusterAbstract	makeCopy()	Returns another instance of an identical cluster (shallow copy).
int	pointCount()	Number of points in the cluster.
void	setTemperature(double temperature)
protected void	updateF(BoxCluster box)
double	value(BoxCluster box)	Value of this cluster for the given pairset at the specified reciprocal temperature.

Methods inherited from class etomica.virial.ClusterSum

calcValue, getClusters, getFValues, getTemperature, getWeights, setCaching

Methods inherited from class java.lang.Object

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

Field Detail

n

protected final int n

fQ

protected final double[] fQ

fC

protected final double[] fC

fA

protected final double[] fA

fB

protected final double[] fB

outDegree

protected final byte[] outDegree

fullBondMask

protected final int[] fullBondMask

cliqueSet

protected final boolean[] cliqueSet

cliqueCount

protected int cliqueCount

eCliqueCount

protected int eCliqueCount

precalcQ

protected boolean precalcQ

cliqueList

protected final int[] cliqueList

eCliqueList

protected final int[] eCliqueList

edgeCount

protected int edgeCount

Constructor Detail

ClusterSumHS

public ClusterSumHS(ClusterBonds[] subClusters,
                    double[] subClusterWeights,
                    MayerFunction f)

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

Overrides:

makeCopy in class ClusterSum

pointCount

public int pointCount()

Description copied from interface: ClusterAbstract

Number of points in the cluster.

Specified by:

pointCount in interface ClusterAbstract

Overrides:

pointCount in class ClusterSum

Returns:

int

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

Overrides:

value in class ClusterSum

calcFullFQ

protected void calcFullFQ(BoxCluster box)

This calculates all FQ values given that the entries for pairs have already been populated.

checkConfig

public boolean checkConfig(BoxCluster box)

Description copied from interface: ClusterWheatley

Determines whether the configuration is zero-valued or not. If not zero, this method also computes various quantities returnable through other methods.

Specified by:

checkConfig in interface ClusterWheatley

cliqueCheck

protected boolean cliqueCheck(int clique,
                              int nfm1)

Checks to see if the set |clique| is a clique separator. The graph connectivity is described by the fullBondMask array.

calcValue

public double calcValue(BoxCluster box)

Returns the cluster value for the given configuration. You must call doCheck(BoxCluster) before calling this method.

Specified by:

calcValue in interface ClusterWheatley

getEdgeCount

public int getEdgeCount()

Returns edgeCount (number of overlaps) of configuration passed to checkConfig

Specified by:

getEdgeCount in interface ClusterWheatley

getCliqueCount

public int getCliqueCount()

Description copied from interface: ClusterWheatley

Returns number of cliques for the configuration passed to checkConfig

Specified by:

getCliqueCount in interface ClusterWheatley

getECliqueCount

public int getECliqueCount()

Description copied from interface: ClusterWheatley

Returns number of e-bond cliques for the configuration passed to checkConfig

Specified by:

getECliqueCount in interface ClusterWheatley

getFullBondMask

public int[] getFullBondMask()

Description copied from interface: ClusterWheatley

Returns number bond mask for all points for the configuration passed to checkConfig

Specified by:

getFullBondMask in interface ClusterWheatley

getCliques

public int[] getCliques()

Description copied from interface: ClusterWheatley

Returns an array containing the clique sets for the configuration passed to checkConfig. The array is filled from the beginning and may contain cruft at the end (use getCliqueCount to know where to stop).

Specified by:

getCliques in interface ClusterWheatley

getECliques

public int[] getECliques()

Description copied from interface: ClusterWheatley

Returns an array containing the clique sets (based on e-bonds) for the configuration passed to checkConfig. The array is filled from the beginning and may contain cruft at the end (use getCliqueCount to know where to stop).

Specified by:

getECliques in interface ClusterWheatley

getOutDegree

public byte[] getOutDegree()

Returns outDegee (number of bonds for each point) of the configuration passed to checkConfig

Specified by:

getOutDegree in interface ClusterWheatley

updateF

protected void updateF(BoxCluster box)

Overrides:

updateF in class ClusterSum

setTemperature

public void setTemperature(double temperature)

Specified by:

setTemperature in interface ClusterAbstract

Overrides:

setTemperature in class ClusterSum

Parameters:

temperature - The temperature to set.