Package etomica.normalmode

Class MeterHarmonicSingleEnergy

java.lang.Object

etomica.normalmode.MeterHarmonicSingleEnergy

All Implemented Interfaces:

IDataSource

public class MeterHarmonicSingleEnergy
extends java.lang.Object
implements IDataSource

Meter that calculates the Boltzmann-factored harmonic energy of each normal mode for a configuration given eigenvectors and omegas corresponding to wave vectors.

Field Summary

Fields

Modifier and Type	Field	Description
protected CoordinateDefinition	coordinateDefinition
protected DataDoubleArray	data
protected DataDoubleArray.DataInfoDoubleArray	dataInfo
protected double[][][]	eigenvectors
protected double[]	imaginaryT
protected java.lang.String	name
protected NormalModes	normalModes
protected double[][]	omegaSquared
protected double[]	realT
protected double[]	waveVectorCoefficients
protected Vector[]	waveVectors

Constructor Summary

Constructors

Constructor	Description
MeterHarmonicSingleEnergy(CoordinateDefinition coordinateDefinition, NormalModes normalModes)

Method Summary

Modifier and Type	Method	Description
Box	getBox()
CoordinateDefinition	getCoordinateDefinition()
IData	getData()
IDataInfo	getDataInfo()
java.lang.String	getName()
DataTag	getTag()
void	setBox(Box newBox)
void	setEigenvectors(double[][][] eigenVectors)
void	setName(java.lang.String newName)
void	setOmegaSquared(double[][] omega2)
void	setWaveVectors(Vector[] newWaveVectors, double[] coefficients)

Methods inherited from class java.lang.Object

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

Field Detail

coordinateDefinition

protected final CoordinateDefinition coordinateDefinition

dataInfo

protected DataDoubleArray.DataInfoDoubleArray dataInfo

data

protected DataDoubleArray data

realT

protected double[] realT

imaginaryT

protected double[] imaginaryT

waveVectors

protected Vector[] waveVectors

waveVectorCoefficients

protected double[] waveVectorCoefficients

eigenvectors

protected double[][][] eigenvectors

omegaSquared

protected double[][] omegaSquared

name

protected java.lang.String name

normalModes

protected NormalModes normalModes

Constructor Detail

MeterHarmonicSingleEnergy

public MeterHarmonicSingleEnergy(CoordinateDefinition coordinateDefinition,
                                 NormalModes normalModes)

Method Detail

getTag

public DataTag getTag()

Specified by:

getTag in interface IDataSource

Returns:

a tag that uniquely identifies the IDataInfo

getCoordinateDefinition

public CoordinateDefinition getCoordinateDefinition()

getDataInfo

public IDataInfo getDataInfo()

Specified by:

getDataInfo in interface IDataSource

getData

public IData getData()

Specified by:

getData in interface IDataSource

Returns:

the data given by this source

getBox

public Box getBox()

setBox

public void setBox(Box newBox)

setWaveVectors

public void setWaveVectors(Vector[] newWaveVectors,
                           double[] coefficients)

setEigenvectors

public void setEigenvectors(double[][][] eigenVectors)

setOmegaSquared

public void setOmegaSquared(double[][] omega2)

setName

public void setName(java.lang.String newName)

getName

public java.lang.String getName()