MayerIonicDiagram4qbonds

java.lang.Object
- etomica.virial.cluster.MayerIonicDiagram4qbonds

```
public class MayerIonicDiagram4qbonds
extends java.lang.Object
```
cluster diagrams generator for ionic solutions, based on Mayer's theory f-bond is split into k-bond(HS f-hond), (kg+g),(kg2+g2),(kg3+g3),(kg4+g4)truncation diagrams with g chain(s) are reduced to lower order of diagrams(here they are just simply discarded) gi is substituted by (qi - kgi), where qi represents modified q bonds( domain [sigmaHS,infinity), gi represent REAL q bonds, i represents q bonds power the final sets of diagrams contains q1,q2,q3,q4;kg1,kg2,kg3,kg4 bonds 2 pt diagrams with q2 bond is discarded ( cycle diagram) cannot handle 4 points due to the insufficiency of calculations

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 java.util.Set<Graph>`	`disconnectedP`
`protected boolean`	`doReeHoover`
`protected boolean`	`doShortcut`
`protected char`	`eBond`
`protected char`	`fBond`
`protected boolean`	`flex`
`protected char`	`g1Bond`
`protected char`	`G1Bond`
`protected char`	`g2Bond`
`protected char`	`G2Bond`
`protected char`	`G2pBond`
`protected char`	`g3Bond`
`protected char`	`G3Bond`
`protected char`	`G3pBond`
`protected char`	`g4Bond`
`protected char`	`G4Bond`
`protected char`	`GBond`
`protected boolean`	`isInteractive`
`protected char`	`kBond`
`protected char`	`kg1Bond`
`protected char`	`kg1BondMinus`
`protected char`	`kg2Bond`
`protected char`	`kg2BondMinus`
`protected char`	`kg3Bond`
`protected char`	`kg3BondMinus`
`protected char`	`kg4Bond`
`protected char`	`kg4BondMinus`
`protected java.util.Set<Graph>`	`lnfXi`
`protected char`	`mBond`
`protected boolean`	`multibody`
`protected int`	`n`
`protected java.util.Set<Graph>`	`p`
`protected char`	`q1Bond`
`protected char`	`q2Bond`
`protected char`	`q3Bond`
`protected char`	`q4Bond`
`protected java.util.Set<Graph>`	`rho`
`protected java.util.Set<Graph>`	`s`

Constructor Summary

Constructors
Constructor	Description
`MayerIonicDiagram4qbonds(int n, boolean multibody, boolean flex, boolean bondDecomp, boolean interactive)`
`MayerIonicDiagram4qbonds(int n, boolean multibody, boolean flex, int numSite, boolean bondDecomp)`

Method Summary

All Methods Static Methods Instance Methods Concrete Methods
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`	`makeVirialCluster(MayerFunction f, MayerFunction e)`
`void`	`makeVirialDiagrams()`
`void`	`populateEFBonds(Graph g, java.util.ArrayList<ClusterBonds> allBonds, boolean swap)`
`void`	`setDoReeHoover(boolean newDoReeHoover)`
`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

s
```
protected java.util.Set<Graph> s
```

rho
```
protected java.util.Set<Graph> rho
```

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
```

kBond
```
protected char kBond
```

GBond
```
protected char GBond
```

G1Bond
```
protected char G1Bond
```

G2pBond
```
protected char G2pBond
```

G3pBond
```
protected char G3pBond
```

G2Bond
```
protected char G2Bond
```

G3Bond
```
protected char G3Bond
```

G4Bond
```
protected char G4Bond
```

g1Bond
```
protected char g1Bond
```

g2Bond
```
protected char g2Bond
```

g3Bond
```
protected char g3Bond
```

g4Bond
```
protected char g4Bond
```

kg1Bond
```
protected char kg1Bond
```

kg2Bond
```
protected char kg2Bond
```

kg3Bond
```
protected char kg3Bond
```

kg4Bond
```
protected char kg4Bond
```

q1Bond
```
protected char q1Bond
```

q2Bond
```
protected char q2Bond
```

q3Bond
```
protected char q3Bond
```

q4Bond
```
protected char q4Bond
```

kg1BondMinus
```
protected char kg1BondMinus
```

kg2BondMinus
```
protected char kg2BondMinus
```

kg3BondMinus
```
protected char kg3BondMinus
```

kg4BondMinus
```
protected char kg4BondMinus
```

Constructor Detail

MayerIonicDiagram4qbonds

public MayerIonicDiagram4qbonds(int n,
                                boolean multibody,
                                boolean flex,
                                int numSite,
                                boolean bondDecomp)

MayerIonicDiagram4qbonds

public MayerIonicDiagram4qbonds(int n,
                                boolean multibody,
                                boolean flex,
                                boolean bondDecomp,
                                boolean interactive)

Method Detail

main

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

setDoReeHoover

public void setDoReeHoover(boolean newDoReeHoover)

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()

makeVirialCluster

public ClusterSum makeVirialCluster(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()
```

makeVirialDiagrams
```
public void makeVirialDiagrams()
```

Class MayerIonicDiagram4qbonds

Field Summary

Constructor Summary

Method Summary

Methods inherited from class java.lang.Object

Field Detail

n

flex

multibody

bondDecomp

isInteractive

doReeHoover

p

cancelP

disconnectedP

s

rho

lnfXi

cancelMap

doShortcut

fBond

eBond

mBond

kBond

GBond

G1Bond

G2pBond

G3pBond

G2Bond

G3Bond

G4Bond

g1Bond

g2Bond

g3Bond

g4Bond

kg1Bond

kg2Bond

kg3Bond

kg4Bond

q1Bond

q2Bond

q3Bond

q4Bond

kg1BondMinus

kg2BondMinus

kg3BondMinus

kg4BondMinus

Constructor Detail

MayerIonicDiagram4qbonds

MayerIonicDiagram4qbonds

Method Detail

main

setDoReeHoover

setDoShortcut

getVirialGraphs

getMSMCGraphs

getCancelMap

makeVirialCluster

populateEFBonds

makeSingleVirialClusters

getExtraDisconnectedVirialGraphs

getSplitDisconnectedVirialGraphs

makeGraphList

makeRhoDiagrams

makeVirialDiagrams