Package etomica.modules.multiharmonic.umbrella

Class MeterUmbrella

java.lang.Object

etomica.modules.multiharmonic.umbrella.MeterUmbrella

All Implemented Interfaces:

IDataSource

public class MeterUmbrella
extends java.lang.Object
implements IDataSource

Field Summary

Fields

Modifier and Type	Field	Description
protected double	alpha
protected double	alphaFac
protected IDataInfo	dataInfo
protected IDataSource	dataSourceA
protected IDataSource	dataSourceB
protected DataDoubleArray	dda
protected DataTag	tag
protected double	temperature

Constructor Summary

Constructors

Constructor	Description
MeterUmbrella(IDataSource dataSourceSame, IDataSource dataSourceDifferent, double temperature)	Meter to measure the "overlap" function for free energy calculations, used as input to an AccumulatorVirialOverlapSingleAverage.

Method Summary

Modifier and Type	Method	Description
double	getAlpha()
double	getAlphaFac()
DataDoubleArray	getData()
IDataInfo	getDataInfo()
DataTag	getTag()
void	setAlpha(double newAlpha)
void	setAlphaFac(double newAlphaFac)

Methods inherited from class java.lang.Object

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

Field Detail

tag

protected DataTag tag

dataInfo

protected IDataInfo dataInfo

dataSourceA

protected IDataSource dataSourceA

dataSourceB

protected IDataSource dataSourceB

temperature

protected double temperature

dda

protected DataDoubleArray dda

alpha

protected double alpha

alphaFac

protected double alphaFac

Constructor Detail

MeterUmbrella

public MeterUmbrella(IDataSource dataSourceSame,
                     IDataSource dataSourceDifferent,
                     double temperature)

Meter to measure the "overlap" function for free energy calculations, used as input to an AccumulatorVirialOverlapSingleAverage.

Parameters:

dataSourceSame - - data source that returns the energy of the system being sampled

dataSourceDifferent - - data source that returns the energy of the system not being sampled

temperature - - the temperature

Method Detail

getAlphaFac

public double getAlphaFac()

setAlphaFac

public void setAlphaFac(double newAlphaFac)

getAlpha

public double getAlpha()

setAlpha

public void setAlpha(double newAlpha)

getData

public DataDoubleArray 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