Package etomica.modules.multiharmonic.overlap

Class DataOverlapCaching

java.lang.Object

etomica.overlap.DataOverlap

etomica.modules.multiharmonic.overlap.DataOverlapCaching

All Implemented Interfaces:

IntegratorOverlap.ReferenceFracSource

public class DataOverlapCaching
extends DataOverlap

DataOverlap subclass that caches return values.

Nested Class Summary

Nested classes/interfaces inherited from class etomica.overlap.DataOverlap

DataOverlap.DataSourceOverlapAvg, DataOverlap.DataSourceOverlapAvgCollapsing, DataOverlap.DataSourceOverlapAvgCollapsingSplit, DataOverlap.DataSourceOverlapAvgSimple, DataOverlap.DataSourceOverlapLogAvg

Field Summary

Fields

Modifier and Type	Field	Description
protected IntegratorOverlap	integrator
protected double[]	lastResult
protected long[]	lastStepCount
protected long[][]	lastStepPop
protected double[][][][]	seenArrays
protected java.util.HashMap<java.lang.String,double[]>[]	seenParams

Fields inherited from class etomica.overlap.DataOverlap

akima, alphaSource, dumpit, err, includeAntibiasErr, lnAlpha, lnAlphaDiff, lnRatio, RATIO, REF, refAvg, TARGET, targetAvg, tmp

Constructor Summary

Constructors

Constructor	Description
DataOverlapCaching(DataOverlap.DataSourceOverlapAvg refAvg, DataOverlap.DataSourceOverlapAvg targetAvg, AlphaSource alphaSource, IntegratorOverlap integrator)

Method Summary

Modifier and Type	Method	Description
protected double[]	getAverageAndError(int which, double iAlpha, boolean doLog)
double[]	getOverlapAverageAndError()	Returns the ratio of the reference to target overlap-to-virial ratios (which reduces to reference/target) for the optimal value of the Bennett parameter.
protected void	populateArrays(int which, boolean doLog)

Methods inherited from class etomica.overlap.DataOverlap

getAlphaSource, getAverage, getAverageAndError, getAverageAndError, getError, getIdealRefFraction, getLogAverageAndError, getLogAverageAndError, getLogError, getRefSource, getTargetSource, setRefAvg, setTargetAvg

Methods inherited from class java.lang.Object

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

Field Detail

lastStepCount

protected long[] lastStepCount

lastResult

protected final double[] lastResult

integrator

protected final IntegratorOverlap integrator

seenParams

protected final java.util.HashMap<java.lang.String,double[]>[] seenParams

lastStepPop

protected final long[][] lastStepPop

seenArrays

protected double[][][][] seenArrays

Constructor Detail

DataOverlapCaching

public DataOverlapCaching(DataOverlap.DataSourceOverlapAvg refAvg,
                          DataOverlap.DataSourceOverlapAvg targetAvg,
                          AlphaSource alphaSource,
                          IntegratorOverlap integrator)

Method Detail

getOverlapAverageAndError

public double[] getOverlapAverageAndError()

Description copied from class: DataOverlap

Returns the ratio of the reference to target overlap-to-virial ratios (which reduces to reference/target) for the optimal value of the Bennett parameter. The optimal value is determined via interpolation of y=(ln(ratio) - ln(alpha)) vs. x=ln(alpha) and taking the x value where y=0. If there are at least 5 alpha values, Akima spline interpolation is used. With 1 alpha value, no interpolation is needed. With 3 alpha values, linear interpolation is used.

Overrides:

getOverlapAverageAndError in class DataOverlap

getAverageAndError

protected double[] getAverageAndError(int which,
                                      double iAlpha,
                                      boolean doLog)

Overrides:

getAverageAndError in class DataOverlap

populateArrays

protected void populateArrays(int which,
                              boolean doLog)

Overrides:

populateArrays in class DataOverlap