Package etomica.virial.cluster

Class WertheimDiagrams2SiteRho

java.lang.Object

etomica.virial.cluster.WertheimDiagrams2SiteRho

public class WertheimDiagrams2SiteRho
extends java.lang.Object

Wertheim diagram generator for 2 site model

Field Summary

Fields

Modifier and Type	Field	Description
protected boolean	bondDecomp
protected java.util.Map<Graph,java.util.Set<Graph>>	cancelMap
protected java.util.Set<Graph>	cancelP
protected char	capFABBond
protected char	capFBABond
protected char	capFBond
protected java.util.Set<Graph>	disconnectedP
protected boolean	doReeHoover
protected boolean	doShortcut
protected char	eBond
protected char	fBond
protected boolean	flex
protected char	fRBond
protected boolean	isInteractive
protected java.util.Set<Graph>	lnfXi
protected char	mBond
protected boolean	multibody
protected int	n
protected java.util.Set<Graph>	p
protected java.util.Set<Graph>	pWertheim2Site
protected java.util.Set<Graph>	rho
protected java.util.Set<Graph>	rho0
protected java.util.Set<Graph>	rhoA
protected java.util.Set<Graph>	rhoAB
protected java.util.Set<Graph>	rhoAB0
protected java.util.Set<Graph>	rhoB

Constructor Summary

Constructors

Constructor	Description
WertheimDiagrams2SiteRho(int n, boolean multibody, boolean flex, boolean bondDecomp, boolean interactive)
WertheimDiagrams2SiteRho(int n, boolean multibody, boolean flex, int numSite, boolean bondDecomp)

Method Summary

Modifier and Type	Method	Description
java.util.Map<Graph,java.util.Set<Graph>>	getCancelMap()
java.util.Set<Graph>	getExtraDisconnectedVirialGraphs()
java.util.Set<Graph>	getMSMCGraphs(boolean connectedOnly)
java.util.HashMap<Graph,java.util.Set<Graph>>	getSplitDisconnectedVirialGraphs(java.util.Set<Graph> disconnectedGraphs)
java.util.Set<Graph>	getVirialGraphs()
static void	main(java.lang.String[] args)
static GraphList	makeGraphList()
void	makeRhoDiagrams()
ClusterSumShell[]	makeSingleVirialClusters(ClusterSum coreCluster, MayerFunction e, MayerFunction f)
ClusterSum	makeWertheimCluster(MayerFunction f, MayerFunction e)
void	makeWertheimDiagrams()
void	populateEFBonds(Graph g, java.util.ArrayList<ClusterBonds> allBonds, boolean swap)
void	setDoShortcut(boolean newDoShortcut)

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

flex

protected final boolean flex

multibody

protected final boolean multibody

bondDecomp

protected final boolean bondDecomp

isInteractive

protected final boolean isInteractive

doReeHoover

protected boolean doReeHoover

p

protected java.util.Set<Graph> p

cancelP

protected java.util.Set<Graph> cancelP

disconnectedP

protected java.util.Set<Graph> disconnectedP

pWertheim2Site

protected java.util.Set<Graph> pWertheim2Site

rho

protected java.util.Set<Graph> rho

rho0

protected java.util.Set<Graph> rho0

rhoA

protected java.util.Set<Graph> rhoA

rhoB

protected java.util.Set<Graph> rhoB

rhoAB

protected java.util.Set<Graph> rhoAB

rhoAB0

protected java.util.Set<Graph> rhoAB0

lnfXi

protected java.util.Set<Graph> lnfXi

cancelMap

protected java.util.Map<Graph,java.util.Set<Graph>> cancelMap

doShortcut

protected boolean doShortcut

fBond

protected char fBond

eBond

protected char eBond

mBond

protected char mBond

capFBond

protected char capFBond

fRBond

protected char fRBond

capFABBond

protected char capFABBond

capFBABond

protected char capFBABond

Constructor Detail

WertheimDiagrams2SiteRho

public WertheimDiagrams2SiteRho(int n,
                                boolean multibody,
                                boolean flex,
                                int numSite,
                                boolean bondDecomp)

WertheimDiagrams2SiteRho

public WertheimDiagrams2SiteRho(int n,
                                boolean multibody,
                                boolean flex,
                                boolean bondDecomp,
                                boolean interactive)

Method Detail

main

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

setDoShortcut

public void setDoShortcut(boolean newDoShortcut)

getVirialGraphs

public java.util.Set<Graph> getVirialGraphs()

getMSMCGraphs

public java.util.Set<Graph> getMSMCGraphs(boolean connectedOnly)

getCancelMap

public java.util.Map<Graph,java.util.Set<Graph>> getCancelMap()

makeWertheimCluster

public ClusterSum makeWertheimCluster(MayerFunction f,
                                      MayerFunction e)

populateEFBonds

public void populateEFBonds(Graph g,
                            java.util.ArrayList<ClusterBonds> allBonds,
                            boolean swap)

makeSingleVirialClusters

public ClusterSumShell[] makeSingleVirialClusters(ClusterSum coreCluster,
                                                  MayerFunction e,
                                                  MayerFunction f)

getExtraDisconnectedVirialGraphs

public java.util.Set<Graph> getExtraDisconnectedVirialGraphs()

getSplitDisconnectedVirialGraphs

public java.util.HashMap<Graph,java.util.Set<Graph>> getSplitDisconnectedVirialGraphs(java.util.Set<Graph> disconnectedGraphs)

makeGraphList

public static GraphList makeGraphList()

makeRhoDiagrams

public void makeRhoDiagrams()

makeWertheimDiagrams

public void makeWertheimDiagrams()