Package etomica.virial.overlap

Class AccumulatorVirialOverlapSingleAverage

java.lang.Object

etomica.data.DataProcessor

etomica.data.DataProcessorForked

etomica.data.DataAccumulator

etomica.data.AccumulatorAverage

etomica.data.AccumulatorAverageFixed

etomica.data.AccumulatorAverageCovariance

etomica.data.AccumulatorRatioAverageCovariance

etomica.virial.overlap.AccumulatorVirialOverlapSingleAverage

All Implemented Interfaces:

DataPipe, DataPipeForked, IDataSink, IDataSource

public class AccumulatorVirialOverlapSingleAverage
extends AccumulatorRatioAverageCovariance

Accumulator for taking ratio between two sums (and pretend it's an "average") Data added to this accumulator must be a 2-element DataDoubleArray

Nested Class Summary

Nested classes/interfaces inherited from class etomica.data.AccumulatorAverage

AccumulatorAverage.StatType

Field Summary

Fields

Modifier and Type	Field	Description
protected double	alphaCenter
protected double	alphaSpan
protected long	blockCounter
protected java.io.FileWriter	fileWriter
protected double[]	overlapBlockCovSum
protected double[]	overlapCorrelationSum
protected double[]	overlapFirstBlock
protected double[]	overlapMostRecentBlock

Fields inherited from class etomica.data.AccumulatorAverage

average, AVERAGE, BLOCK_CORRELATION, blockCorrelation, blockCountDown, blockSize, count, dataGroup, doIncludeACInError, error, ERROR, MOST_RECENT, mostRecent, STANDARD_DEVIATION, standardDeviation

Fields inherited from class etomica.data.AccumulatorAverageCovariance

BLOCK_COVARIANCE, blockCovariance, blockCovSum, covariance, COVARIANCE, covSum, fullCovariance

Fields inherited from class etomica.data.AccumulatorAverageFixed

blockDataSink, blockFilename, blockVarSum, correlationSum, currentBlockAvg, firstBlock, mostRecentBlock, negativeChop, numSavedBlockData, sanityCheckBC, savedBlockData, sumSquare, work, work2

Fields inherited from class etomica.data.AccumulatorRatioAverageCovariance

ratio, RATIO, RATIO_ERROR, ratioError

Fields inherited from class etomica.data.DataAccumulator

active, hasUnpushedData, pushInterval, putCount

Fields inherited from class etomica.data.DataProcessor

dataInfo, dataSink, tag

Constructor Summary

Constructors

Constructor	Description
AccumulatorVirialOverlapSingleAverage(int aNBennetPoints, boolean aIsReference)
AccumulatorVirialOverlapSingleAverage(long blockSize, int aNBennetPoints, boolean aIsReference)

Method Summary

Modifier and Type	Method	Description
boolean	addData(IData value)	Add the given values to the sums and block sums
void	closeFile()
protected void	doBlockSum()	Performs the block sum after blockSize calls to addData.
double	getAlphaCenter()
double	getAlphaSpan()
double	getBennetAverage(int iParam)	Returns average value of expression used to determine optimal Bennet parameter (value[1]/(value[1]+expX[iParam]).
double	getBennetBias(int iParam)	Returns iParam'th factor used in the Bennet sum.
IData	getData()	Implements DataSource interface, but you probably want to getData for a specific Bennet parameter.
IData	getData(int iParam)	Return all standard data corresponding to the given Bennet parameter.
int	getNBennetPoints()
void	reset()	Resets all sums to zero
void	setBennetParam(double aCenter, double aSpan)	sets the range of parameter values used for Bennets method.
void	setFile(java.lang.String fName)
void	setNumAlpha(int newNumAlpha)

Methods inherited from class etomica.data.AccumulatorAverage

addDataSink, doIncludeACInError, getBlockCount, getBlockSize, getData, getSampleCount, setBlockSize, setIncludeACInError

Methods inherited from class etomica.data.AccumulatorAverageCovariance

statChoices

Methods inherited from class etomica.data.AccumulatorAverageFixed

getBlockDataSink, getDoStrictBlockData, putDataInfo, readBlockData, setBlockDataSink, setWriteBlocks, writeBlockData

Methods inherited from class etomica.data.AccumulatorRatioAverageCovariance

choices, getTag, processDataInfo

Methods inherited from class etomica.data.DataAccumulator

getPushInterval, isActive, processData, setActive, setPushInterval, toString

Methods inherited from interface etomica.data.DataPipe

getTag

Methods inherited from class etomica.data.DataProcessor

getDataInfo, getTag, putData

Methods inherited from class etomica.data.DataProcessorForked

addDataSink, getDataSink, getDataSinks, removeDataSink, setDataSink, setDataSinks

Methods inherited from interface etomica.data.IDataSink

putData

Methods inherited from interface etomica.data.IDataSource

getDataInfo, getTag

Methods inherited from class java.lang.Object

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

Field Detail

overlapFirstBlock

protected double[] overlapFirstBlock

overlapMostRecentBlock

protected double[] overlapMostRecentBlock

overlapCorrelationSum

protected double[] overlapCorrelationSum

overlapBlockCovSum

protected double[] overlapBlockCovSum

fileWriter

protected java.io.FileWriter fileWriter

blockCounter

protected long blockCounter

alphaCenter

protected double alphaCenter

alphaSpan

protected double alphaSpan

Constructor Detail

AccumulatorVirialOverlapSingleAverage

public AccumulatorVirialOverlapSingleAverage(int aNBennetPoints,
                                             boolean aIsReference)

AccumulatorVirialOverlapSingleAverage

public AccumulatorVirialOverlapSingleAverage(long blockSize,
                                             int aNBennetPoints,
                                             boolean aIsReference)

Method Detail

setBennetParam

public void setBennetParam(double aCenter,
                           double aSpan)

sets the range of parameter values used for Bennets method. Default is a span of 5 centered about 1 (exp(-5) to (exp(5)).

Parameters:

aCenter - geometric mean of all values

aSpan - natural log of ratio of max value to aCenter

setNumAlpha

public void setNumAlpha(int newNumAlpha)

getAlphaCenter

public double getAlphaCenter()

getAlphaSpan

public double getAlphaSpan()

addData

public boolean addData(IData value)

Add the given values to the sums and block sums

Overrides:

addData in class AccumulatorAverageCovariance

Parameters:

value - data to be added.

Returns:

true if data are not NaN.

doBlockSum

protected void doBlockSum()

Description copied from class: AccumulatorAverageFixed

Performs the block sum after blockSize calls to addData.

Overrides:

doBlockSum in class AccumulatorAverageCovariance

getNBennetPoints

public int getNBennetPoints()

getBennetBias

public double getBennetBias(int iParam)

Returns iParam'th factor used in the Bennet sum. Higher values indicate the overlap function is more like the 0th value.

getData

public IData getData()

Implements DataSource interface, but you probably want to getData for a specific Bennet parameter.

Specified by:

getData in interface IDataSource

Overrides:

getData in class AccumulatorRatioAverageCovariance

Returns:

the data given by this source

getBennetAverage

public double getBennetAverage(int iParam)

Returns average value of expression used to determine optimal Bennet parameter (value[1]/(value[1]+expX[iParam]).

getData

public IData getData(int iParam)

Return all standard data corresponding to the given Bennet parameter.

reset

public void reset()

Resets all sums to zero

Overrides:

reset in class AccumulatorRatioAverageCovariance

setFile

public void setFile(java.lang.String fName)

closeFile

public void closeFile()