public class DataVirialOverlap
extends java.lang.Object
implements etomica.overlap.IntegratorOverlap.ReferenceFracSource
Modifier and Type  Class and Description 

static class 
DataVirialOverlap.FullResult 
Modifier and Type  Field and Description 

protected etomica.overlap.AlphaSource 
alphaSource 
protected AccumulatorAverage.StatType 
avgStat 
protected boolean 
doIgnoreRefAvg 
protected AccumulatorAverage.StatType 
errorStat 
protected DataVirialOverlap.FullResult 
fullOverlapResult 
protected DataVirialOverlap.FullResult 
fullRatioResult 
protected DataVirialOverlap.FullResult 
fullSystemResult 
protected AccumulatorAverage.StatType 
ratioErrorStat 
protected AccumulatorAverage.StatType 
ratioStat 
protected AccumulatorRatioAverageCovarianceFull 
refAccumulator 
protected AkimaSpline 
spline 
protected AccumulatorRatioAverageCovarianceFull 
targetAccumulator 
Constructor and Description 

DataVirialOverlap(etomica.overlap.AlphaSource alphaSource,
AccumulatorRatioAverageCovarianceFull aRefAccumulator,
AccumulatorRatioAverageCovarianceFull aTargetAccumulator) 
Modifier and Type  Method and Description 

AccumulatorRatioAverageCovarianceFull[] 
getAccumulators() 
etomica.overlap.AlphaSource 
getAlphaSource() 
double[] 
getAverageAndError()
Returns the total result (appropriate ratio of target, reference and
overlap averages) and the uncertainty on that value.

double[] 
getAverageAndError(int targetIndex) 
DataVirialOverlap.FullResult 
getFullOverlapResultForAlpha(double alpha)
Returns the full set of overlap results (averages and uncertainties for
target and reference overlap averages).

DataVirialOverlap.FullResult 
getFullRatioResultForAlpha(double alpha)
Returns the full set of ratio results (reference and target ratios and
errors on those ratios).

DataVirialOverlap.FullResult 
getFullRatioResultForAlpha(double alpha,
int targetIndex) 
DataVirialOverlap.FullResult 
getFullSystemResult()
Simply return the reference and target averages and uncertainties.

DataVirialOverlap.FullResult 
getFullSystemResult(int targetIndex) 
double 
getIdealRefFraction(double oldFrac) 
protected int 
getNumTargets() 
double 
getOverlapAverage()
Returns the ratio of the reference to target overlaptovirial ratios
(which reduces to reference/target) for the optimal value of the Bennett
parameter.

double 
getOverlapAverage(int iParam)
Returns the ratio of the reference to target overlaptovirial ratios
(which reduces to target/reference) for the given value of the Bennet
parameter.

double[] 
getOverlapAverageAndErrorForAlpha(double alpha)
Returns the overlap average and uncertainty for a given value of alpha.

int 
minDiffLocation()
Deprecated.

void 
reset()
Convenience method that resets reference and target accumulators

void 
setIgnoreReferenceAvg(boolean newDoIgnoreRefAvg)
Directs this class to ignore the reference average when deciding how
much time to spend on each system.

protected final AccumulatorRatioAverageCovarianceFull refAccumulator
protected final AccumulatorRatioAverageCovarianceFull targetAccumulator
protected final etomica.overlap.AlphaSource alphaSource
protected final AkimaSpline spline
protected final DataVirialOverlap.FullResult fullOverlapResult
protected final DataVirialOverlap.FullResult fullSystemResult
protected final DataVirialOverlap.FullResult fullRatioResult
protected final AccumulatorAverage.StatType avgStat
protected final AccumulatorAverage.StatType errorStat
protected final AccumulatorAverage.StatType ratioStat
protected final AccumulatorAverage.StatType ratioErrorStat
protected boolean doIgnoreRefAvg
public DataVirialOverlap(etomica.overlap.AlphaSource alphaSource, AccumulatorRatioAverageCovarianceFull aRefAccumulator, AccumulatorRatioAverageCovarianceFull aTargetAccumulator)
public AccumulatorRatioAverageCovarianceFull[] getAccumulators()
public etomica.overlap.AlphaSource getAlphaSource()
protected int getNumTargets()
public void setIgnoreReferenceAvg(boolean newDoIgnoreRefAvg)
public double[] getAverageAndError()
public double[] getAverageAndError(int targetIndex)
public double getOverlapAverage()
public DataVirialOverlap.FullResult getFullSystemResult()
public DataVirialOverlap.FullResult getFullSystemResult(int targetIndex)
public double[] getOverlapAverageAndErrorForAlpha(double alpha)
public DataVirialOverlap.FullResult getFullOverlapResultForAlpha(double alpha)
public DataVirialOverlap.FullResult getFullRatioResultForAlpha(double alpha)
public DataVirialOverlap.FullResult getFullRatioResultForAlpha(double alpha, int targetIndex)
public double getOverlapAverage(int iParam)
@Deprecated public int minDiffLocation()
public double getIdealRefFraction(double oldFrac)
getIdealRefFraction
in interface etomica.overlap.IntegratorOverlap.ReferenceFracSource
public void reset()