MeterTargetTP

java.lang.Object
- etomica.normalmode.MeterTargetTP

All Implemented Interfaces:

IDataSource
```
public class MeterTargetTP
extends java.lang.Object
implements IDataSource
```
Meter that measures the overlap averages for perturbing from a solid at one temperature into other the system at other temperatures. The atoms are scaled back toward their lattice sites by a factor of Tp/T0, where T0 is the simulation temperature and Tp is the temperature being perturbed into. For the purposes of the overlap average, the lower temperature is considered the reference. ep/(e0 + alpha*ep) if Tp > T0 e0/(ep + alpha*e0) if T0 > Tp

Field Summary

Fields
Modifier and Type	Field	Description
`protected double[][]`	`alpha`
`protected double[]`	`alphaCenter`
`protected double`	`alphaSpan`
`protected CoordinateDefinition`	`coordinateDefinition`
`protected DataDoubleArray`	`data`
`protected DataDoubleArray.DataInfoDoubleArray`	`dataInfo`
`protected java.io.FileWriter`	`fw`
`protected double`	`latticeEnergy`
`protected MeterPotentialEnergy`	`meterPotential`
`protected int`	`numAlpha`
`protected double[]`	`otherTemperatures`
`protected P1ConstraintNbr`	`p1`
`protected PotentialMaster`	`potentialMaster`
`protected Box`	`pretendBox`
`protected ISpecies`	`species`
`protected DataTag`	`tag`
`protected double`	`temperature`

Constructor Summary

Constructors
Constructor	Description
`MeterTargetTP(PotentialMaster potentialMaster, ISpecies species, Simulation sim, CoordinateDefinition coordinateDefinition)`

Method Summary

All Methods Instance Methods Concrete Methods
Modifier and Type	Method	Description
`void`	`closeFW()`	Closes file with overlap data.
`protected double`	`constraintEnergy(Box box)`	Returns true if all atoms in the given box satisfy p1's constraint
`double[]`	`getAlpha(int iTemp)`
`CoordinateDefinition`	`getCoordinateDefinition()`
`IData`	`getData()`
`IDataInfo`	`getDataInfo()`
`double`	`getLatticeEnergy()`
`double[]`	`getOtherTemperatures()`
`DataTag`	`getTag()`
`double`	`getTemperature()`
`protected void`	`initAlpha()`
`void`	`openFW(java.lang.String filename)`	Writes collected overlap data (for the "middle" alpha) to a file.
`void`	`setAlpha(double[] newAlpha)`
`void`	`setAlphaSpan(double newAlphaSpan)`
`void`	`setConstraint(P1ConstraintNbr p1)`
`void`	`setLatticeEnergy(double latticeEnergy)`
`void`	`setNumAlpha(int newNumAlpha)`
`void`	`setOtherTemperatures(double[] otherTemperatures)`
`void`	`setTemperature(double temperature)`

Methods inherited from class java.lang.Object
clone, equals, finalize, getClass, hashCode, notify, notifyAll, toString, wait, wait, wait

Field Detail

meterPotential

protected final MeterPotentialEnergy meterPotential

potentialMaster

protected final PotentialMaster potentialMaster

latticeEnergy
```
protected double latticeEnergy
```

temperature
```
protected double temperature
```

otherTemperatures
```
protected double[] otherTemperatures
```

dataInfo

protected DataDoubleArray.DataInfoDoubleArray dataInfo

data
```
protected DataDoubleArray data
```

tag
```
protected final DataTag tag
```

pretendBox
```
protected final Box pretendBox
```

coordinateDefinition

protected final CoordinateDefinition coordinateDefinition

species
```
protected final ISpecies species
```

alpha
```
protected double[][] alpha
```

alphaCenter
```
protected double[] alphaCenter
```

alphaSpan
```
protected double alphaSpan
```

numAlpha
```
protected int numAlpha
```

fw
```
protected java.io.FileWriter fw
```

p1
```
protected P1ConstraintNbr p1
```

Constructor Detail

MeterTargetTP

public MeterTargetTP(PotentialMaster potentialMaster,
                     ISpecies species,
                     Simulation sim,
                     CoordinateDefinition coordinateDefinition)

Method Detail

getDataInfo
```
public IDataInfo getDataInfo()
```
Specified by:

getDataInfo in interface IDataSource

getTag
```
public DataTag getTag()
```
Specified by:

getTag in interface IDataSource

Returns:

a tag that uniquely identifies the IDataInfo

getData
```
public IData getData()
```
Specified by:

getData in interface IDataSource

Returns:

the data given by this source

constraintEnergy
```
protected double constraintEnergy(Box box)
```
Returns true if all atoms in the given box satisfy p1's constraint

openFW
```
public void openFW(java.lang.String filename)
```
Writes collected overlap data (for the "middle" alpha) to a file. Only data for the first perturbed temperature is written.

closeFW
```
public void closeFW()
```
Closes file with overlap data.

getLatticeEnergy
```
public double getLatticeEnergy()
```

setLatticeEnergy

public void setLatticeEnergy(double latticeEnergy)

getTemperature
```
public double getTemperature()
```

setTemperature

public void setTemperature(double temperature)

getOtherTemperatures

public double[] getOtherTemperatures()

setOtherTemperatures

public void setOtherTemperatures(double[] otherTemperatures)

initAlpha
```
protected void initAlpha()
```

getAlpha

public double[] getAlpha(int iTemp)

setAlpha

public void setAlpha(double[] newAlpha)

setAlphaSpan

public void setAlphaSpan(double newAlphaSpan)

setNumAlpha

public void setNumAlpha(int newNumAlpha)

getCoordinateDefinition

public CoordinateDefinition getCoordinateDefinition()

setConstraint

public void setConstraint(P1ConstraintNbr p1)

Class MeterTargetTP

Field Summary

Constructor Summary

Method Summary

Methods inherited from class java.lang.Object

Field Detail

meterPotential

potentialMaster

latticeEnergy

temperature

otherTemperatures

dataInfo

data

tag

pretendBox

coordinateDefinition

species

alpha

alphaCenter

alphaSpan

numAlpha

fw

p1

Constructor Detail

MeterTargetTP

Method Detail

getDataInfo

getTag

getData

constraintEnergy

openFW

closeFW

getLatticeEnergy

setLatticeEnergy

getTemperature

setTemperature

getOtherTemperatures

setOtherTemperatures

initAlpha

getAlpha

setAlpha

setAlphaSpan

setNumAlpha

getCoordinateDefinition

setConstraint