Package etomica.models.nitrogen

Class MeterBoltzmannRotPerturb

java.lang.Object

etomica.models.nitrogen.MeterBoltzmannRotPerturb

All Implemented Interfaces:

IDataSource

public class MeterBoltzmannRotPerturb
extends java.lang.Object
implements IDataSource

Meter used for overlap sampling in the target-sampled system. The meter measures the ratio of the Boltzmann factors for the reference (no rotational energy) and target potentials.

Field Summary

Fields

Modifier and Type	Field	Description
protected DataDoubleArray	data
protected DataDoubleArray.DataInfoDoubleArray	dataInfo
protected MeterPotentialEnergy	meterPotentialMeasured
protected MeterPotentialEnergyFromIntegrator	meterPotentialSampled
protected CoordinateDefinitionNitrogen	primaryCoordDef
protected Box	secondaryBox
protected CoordinateDefinitionNitrogen	secondaryCoordDef
protected DataTag	tag

Constructor Summary

Constructors

Constructor	Description
MeterBoltzmannRotPerturb(IntegratorMC integrator, PotentialMaster potentialMaster, ISpecies species, Space space, Simulation sim, CoordinateDefinitionNitrogen coordinateDef)

Method Summary

Modifier and Type	Method	Description
IData	getData()
IDataInfo	getDataInfo()
DataTag	getTag()

Methods inherited from class java.lang.Object

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

Field Detail

meterPotentialMeasured

protected final MeterPotentialEnergy meterPotentialMeasured

meterPotentialSampled

protected final MeterPotentialEnergyFromIntegrator meterPotentialSampled

secondaryBox

protected final Box secondaryBox

data

protected final DataDoubleArray data

dataInfo

protected final DataDoubleArray.DataInfoDoubleArray dataInfo

tag

protected final DataTag tag

primaryCoordDef

protected CoordinateDefinitionNitrogen primaryCoordDef

secondaryCoordDef

protected CoordinateDefinitionNitrogen secondaryCoordDef

Constructor Detail

MeterBoltzmannRotPerturb

public MeterBoltzmannRotPerturb(IntegratorMC integrator,
                                PotentialMaster potentialMaster,
                                ISpecies species,
                                Space space,
                                Simulation sim,
                                CoordinateDefinitionNitrogen coordinateDef)

Method Detail

getData

public IData getData()

Specified by:

getData in interface IDataSource

Returns:

the data given by this source

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