Package etomica.data

Class DataSourcePositionedBoltzmannFactor

java.lang.Object

etomica.data.DataSourcePositionedBoltzmannFactor

All Implemented Interfaces:

DataSourcePositioned

public class DataSourcePositionedBoltzmannFactor
extends java.lang.Object
implements DataSourcePositioned

Calculates the Boltzmann factor at a position within a box a molecule of a particular species would have if it existed at that point. Only works for monatomic molecules (no rotation is attempted).

Field Summary

Fields

Modifier and Type	Field	Description
protected MoleculeActionTranslateTo	atomTranslator
protected DataDouble	data
protected DataDouble.DataInfoDouble	dataInfo
protected MeterPotentialEnergy	energyMeter
protected IntegratorBox	integrator
protected DataTag	tag
protected IMolecule	testMolecule

Constructor Summary

Constructors

Constructor	Description
DataSourcePositionedBoltzmannFactor(Space space)

Method Summary

Modifier and Type	Method	Description
IData	getData(Vector a)
IDataInfo	getPositionDataInfo()
ISpecies	getSpecies()	Returns the ISpecies for which the chemical potential is to be measured.
DataTag	getTag()
void	setBox(Box newBox)
void	setIntegrator(IntegratorBox newIntegrator)	Sets the integrator.
void	setSpecies(ISpecies newSpecies)	Sets the ISpecies for which the chemical potential is to be measured.

Methods inherited from class java.lang.Object

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

Field Detail

testMolecule

protected IMolecule testMolecule

atomTranslator

protected MoleculeActionTranslateTo atomTranslator

energyMeter

protected MeterPotentialEnergy energyMeter

dataInfo

protected final DataDouble.DataInfoDouble dataInfo

data

protected final DataDouble data

integrator

protected IntegratorBox integrator

tag

protected final DataTag tag

Constructor Detail

DataSourcePositionedBoltzmannFactor

public DataSourcePositionedBoltzmannFactor(Space space)

Method Detail

setIntegrator

public void setIntegrator(IntegratorBox newIntegrator)

Sets the integrator. The integrator is used to obtain the PotentialMaster, Box and temperature.

setSpecies

public void setSpecies(ISpecies newSpecies)

Sets the ISpecies for which the chemical potential is to be measured.

getSpecies

public ISpecies getSpecies()

Returns the ISpecies for which the chemical potential is to be measured.

getData

public IData getData(Vector a)

Specified by:

getData in interface DataSourcePositioned

setBox

public void setBox(Box newBox)

Specified by:

setBox in interface DataSourcePositioned

getPositionDataInfo

public IDataInfo getPositionDataInfo()

Specified by:

getPositionDataInfo in interface DataSourcePositioned

getTag

public DataTag getTag()

Specified by:

getTag in interface DataSourcePositioned