Package etomica.virial

Class ClusterChainHS

java.lang.Object

etomica.virial.ClusterChainHS

All Implemented Interfaces:

ClusterAbstract

public class ClusterChainHS
extends java.lang.Object
implements ClusterAbstract

This class calculates the sum of all chain and/or ring clusters for hard potentials, for which the Mayer function can take values of only -1 or 0. Can return a general weighted sum of ring and chain values, special-casing to chain-only and ring-only values if directed at construction.

Field Summary

Fields

Modifier and Type	Field	Description
protected double	chainFrac
protected long	cPairID
protected MayerFunction	f
protected double[][]	fValues
protected long	lastCPairID
protected double	lastValue
protected int	n
protected double[][]	nC
protected int	nf1
boolean	old
protected double	ringFrac
protected double	value

Constructor Summary

Constructors

Constructor	Description
ClusterChainHS(int nPoints, MayerFunction f)	Constructs with default to perform chain-only calculation, with chainFrac = 1.0
ClusterChainHS(int nPoints, MayerFunction f, boolean doRing)	Constructs to perform either chain-only or ring-only calculation, as directed by doRing (true for ring-only)
ClusterChainHS(int nPoints, MayerFunction f, double chainFrac, double ringFrac)	Constructs to perform linear combination of chain and ring values, with computed cluster values each weighted by given fractions, and summed to get total value

Method Summary

Modifier and Type	Method	Description
protected void	calcValue()
static void	main(java.lang.String[] args)
ClusterAbstract	makeCopy()	Returns another instance of an identical cluster (shallow copy).
long	numDiagrams()
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 java.lang.Object

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

Field Detail

n

protected final int n

nf1

protected final int nf1

f

protected final MayerFunction f

nC

protected final double[][] nC

fValues

protected final double[][] fValues

ringFrac

protected double ringFrac

chainFrac

protected double chainFrac

cPairID

protected long cPairID

lastCPairID

protected long lastCPairID

value

protected double value

lastValue

protected double lastValue

old

public final boolean old

See Also:

Constant Field Values

Constructor Detail

ClusterChainHS

public ClusterChainHS(int nPoints,
                      MayerFunction f)

Constructs with default to perform chain-only calculation, with chainFrac = 1.0

ClusterChainHS

public ClusterChainHS(int nPoints,
                      MayerFunction f,
                      boolean doRing)

Constructs to perform either chain-only or ring-only calculation, as directed by doRing (true for ring-only)

ClusterChainHS

public ClusterChainHS(int nPoints,
                      MayerFunction f,
                      double chainFrac,
                      double ringFrac)

Constructs to perform linear combination of chain and ring values, with computed cluster values each weighted by given fractions, and summed to get total value

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

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

numDiagrams

public long numDiagrams()

calcValue

protected void calcValue()

updateF

protected void updateF(BoxCluster box)

setTemperature

public void setTemperature(double temperature)

Specified by:

setTemperature in interface ClusterAbstract

main

public static void main(java.lang.String[] args)