Package etomica.data.meter

Class MeterRDFPC

java.lang.Object

etomica.data.meter.MeterRDFPC

All Implemented Interfaces:

IAction, DataSourceIndependent, IDataSource

public class MeterRDFPC
extends java.lang.Object
implements IAction, IDataSource, DataSourceIndependent

Meter for tabulation of the atomic radial distribution function (RDF). The meter takes data via actionPerformed and returns the average RDF via getData. This implementation uses a PotentialCalculation to perform the actual work and so can take advantage of neighbor/cell lists so long as the RDF range is not greater than the PotentialMaster range.

Field Summary

Fields

Modifier and Type	Field	Description
protected IteratorDirective	allAtoms
protected Box	box
protected long	callCount
protected DataFunction	data
protected PotentialCalculationRDF	pc
protected PotentialMaster	potentialMaster
protected DataDoubleArray	rData
protected Space	space
protected DataTag	tag
protected DataSourceUniform	xDataSource
protected double	xMax

Constructor Summary

Constructors

Constructor	Description
MeterRDFPC(Space space, PotentialMaster potentialMaster, Box box)	Creates meter with default to compute pair correlation for all leaf atoms in a box.

Method Summary

Modifier and Type	Method	Description
void	actionPerformed()	Takes the RDF for the current configuration of the given box.
Box	getBox()
IData	getData()	Returns the RDF, averaged over the calls to actionPerformed since the meter was reset or had some parameter changed (xMax or # of bins).
IDataInfo	getDataInfo()
int	getIndependentArrayDimension()	Returns the number of independent data dimensions
DataDoubleArray	getIndependentData(int i)	Returns the X data for the given dimension
DataDoubleArray.DataInfoDoubleArray	getIndependentDataInfo(int i)	Returns the DataInfo for the given dimension
DataTag	getIndependentTag()	Returns the tag associated with this DataSource.
java.lang.String	getName()
DataTag	getTag()
DataSourceUniform	getXDataSource()
void	reset()	Zero's out the RDF sum tracked by this meter.
void	setBox(Box box)
void	setName(java.lang.String name)

Methods inherited from class java.lang.Object

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

Field Detail

box

protected Box box

space

protected final Space space

data

protected DataFunction data

rData

protected DataDoubleArray rData

allAtoms

protected IteratorDirective allAtoms

xDataSource

protected final DataSourceUniform xDataSource

xMax

protected double xMax

tag

protected final DataTag tag

callCount

protected long callCount

potentialMaster

protected final PotentialMaster potentialMaster

pc

protected final PotentialCalculationRDF pc

Constructor Detail

MeterRDFPC

public MeterRDFPC(Space space,
                  PotentialMaster potentialMaster,
                  Box box)

Creates meter with default to compute pair correlation for all leaf atoms in a box.

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

reset

public void reset()

Zero's out the RDF sum tracked by this meter.

actionPerformed

public void actionPerformed()

Takes the RDF for the current configuration of the given box.

Specified by:

actionPerformed in interface IAction

getData

public IData getData()

Returns the RDF, averaged over the calls to actionPerformed since the meter was reset or had some parameter changed (xMax or # of bins).

Specified by:

getData in interface IDataSource

Returns:

the data given by this source

getXDataSource

public DataSourceUniform getXDataSource()

getIndependentData

public DataDoubleArray getIndependentData(int i)

Description copied from interface: DataSourceIndependent

Returns the X data for the given dimension

Specified by:

getIndependentData in interface DataSourceIndependent

getIndependentDataInfo

public DataDoubleArray.DataInfoDoubleArray getIndependentDataInfo(int i)

Description copied from interface: DataSourceIndependent

Returns the DataInfo for the given dimension

Specified by:

getIndependentDataInfo in interface DataSourceIndependent

getIndependentTag

public DataTag getIndependentTag()

Description copied from interface: DataSourceIndependent

Returns the tag associated with this DataSource.

Specified by:

getIndependentTag in interface DataSourceIndependent

getIndependentArrayDimension

public int getIndependentArrayDimension()

Description copied from interface: DataSourceIndependent

Returns the number of independent data dimensions

Specified by:

getIndependentArrayDimension in interface DataSourceIndependent

getBox

public Box getBox()

Returns:

Returns the box.

setBox

public void setBox(Box box)

Parameters:

box - The box to set.

getName

public java.lang.String getName()

setName

public void setName(java.lang.String name)