Package etomica.virial

Class MeterVirialEBinMultiThreaded

java.lang.Object

etomica.virial.MeterVirialEBinMultiThreaded

All Implemented Interfaces:

IAction

public class MeterVirialEBinMultiThreaded
extends java.lang.Object
implements IAction

Measures cluster averages for virial coefficients. Configurations are classified by a "property" (an array of ints) and assigned a bin. The average value and standard deviation within that bin is tracked. If a bin has a small standard deviation, its configurations may be skipped (not measured) in order to spend more time on other bins, or to track how often each bin is visited. Additionally, this class can be used in a threaded simulation. Each thread runs a separate simulation, sharing a Map of MyData. This class ensures that the various instances of the meter do not concurrently use the Map in a way that causes problems. Many of the operations need only be approximate and the class avoids forcing synchronization for such operations.

Nested Class Summary

Nested Classes

Modifier and Type	Class	Description
static class	MeterVirialEBinMultiThreaded.MyData
static class	MeterVirialEBinMultiThreaded.MyDataCov

Field Summary

Fields

Modifier and Type	Field	Description
protected java.util.Map<IntSet,MeterVirialEBinMultiThreaded.MyData>	allMyData
protected BoxCluster	box
protected boolean	doCov
protected int	iThread
protected java.math.MathContext	mc
protected int	n
protected long	nextReweightStep
protected double	nominalWeight
protected IntSet.PropertyBin	property
protected static boolean	quiet
protected IRandom	random
protected ClusterWheatleyExtendSW	targetCluster
protected long[]	totalCount
protected static double	tRatio

Constructor Summary

Constructors

Constructor	Description
MeterVirialEBinMultiThreaded(ClusterWheatleyExtendSW targetCluster, IRandom random, IntSet.PropertyBin prop, int n)	Constructor for MeterVirial.
MeterVirialEBinMultiThreaded(ClusterWheatleyExtendSW targetCluster, IRandom random, IntSet.PropertyBin prop, long[] totalCount, java.util.Map<IntSet,MeterVirialEBinMultiThreaded.MyData> allMyData, int iThread, boolean doReweight, int n)

Method Summary

Modifier and Type	Method	Description
void	actionPerformed()	Completes the action defined by the class implementing this interface.
java.util.Map<IntSet,MeterVirialEBinMultiThreaded.MyData>	getAllMyData()
BoxCluster	getBox()
boolean	getDoCov()
java.math.MathContext	getMathContext()
ClusterWheatleyExtendSW	getTargetCluster()
long	getTotalCount()
protected MeterVirialEBinMultiThreaded.MyData	makeData(int n)
void	mergeData(java.util.Map<IntSet,MeterVirialEBinMultiThreaded.MyData> moreData)
void	readData(java.lang.String[] filenames, int n)
void	readData(java.lang.String[] filenames, int n, boolean dropCov)
void	readDataReBin(java.lang.String[] filenames, int n, int newNumBins)
static void	readProcessData(java.lang.String filename, int n)
void	readWeights(java.lang.String filename, int n)
void	readWriteData(java.lang.String[] readFilenames, java.lang.String writeFilename, int n)	This method reads all input files in parallel and writes lines out to the new file as the bin data is known to be complete.
void	recomputeWeights()
static void	recomputeWeights(java.util.Map<IntSet,MeterVirialEBinMultiThreaded.MyData> allMyData, long totalCount, boolean doPadVar, int n)	This method will read MyData.unscreenedCount and MyData.accumulator and write to MyData.weight.
static void	recomputeWeights(java.util.Map<IntSet,MeterVirialEBinMultiThreaded.MyData> allMyData, long totalCount, int n)
void	setBox(BoxCluster newBox)
void	setDoCov(boolean newDoCov)
static void	setQuiet(boolean newQuiet)
static void	setTRatio(double newTRatio)
void	setWeight(double newWeight)
void	writeData(java.lang.String filename)
static void	writeData(java.lang.String filename, java.util.Map<IntSet,MeterVirialEBinMultiThreaded.MyData> allMyData, long totalCount, int n)
void	writeWeights(java.lang.String filename)
static void	writeWeights(java.lang.String filename, java.util.Map<IntSet,MeterVirialEBinMultiThreaded.MyData> allMyData)

Methods inherited from class java.lang.Object

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

Field Detail

n

protected final int n

random

protected final IRandom random

targetCluster

protected final ClusterWheatleyExtendSW targetCluster

mc

protected final java.math.MathContext mc

box

protected BoxCluster box

allMyData

protected final java.util.Map<IntSet,MeterVirialEBinMultiThreaded.MyData> allMyData

tRatio

protected static double tRatio

nextReweightStep

protected long nextReweightStep

totalCount

protected final long[] totalCount

property

protected final IntSet.PropertyBin property

nominalWeight

protected double nominalWeight

iThread

protected int iThread

quiet

protected static boolean quiet

doCov

protected boolean doCov

Constructor Detail

MeterVirialEBinMultiThreaded

public MeterVirialEBinMultiThreaded(ClusterWheatleyExtendSW targetCluster,
                                    IRandom random,
                                    IntSet.PropertyBin prop,
                                    int n)

Constructor for MeterVirial.

MeterVirialEBinMultiThreaded

public MeterVirialEBinMultiThreaded(ClusterWheatleyExtendSW targetCluster,
                                    IRandom random,
                                    IntSet.PropertyBin prop,
                                    long[] totalCount,
                                    java.util.Map<IntSet,MeterVirialEBinMultiThreaded.MyData> allMyData,
                                    int iThread,
                                    boolean doReweight,
                                    int n)

Method Detail

getDoCov

public boolean getDoCov()

setDoCov

public void setDoCov(boolean newDoCov)

setWeight

public void setWeight(double newWeight)

setTRatio

public static void setTRatio(double newTRatio)

setQuiet

public static void setQuiet(boolean newQuiet)

actionPerformed

public void actionPerformed()

Description copied from interface: IAction

Completes the action defined by the class implementing this interface.

Specified by:

actionPerformed in interface IAction

writeData

public void writeData(java.lang.String filename)

writeData

public static void writeData(java.lang.String filename,
                             java.util.Map<IntSet,MeterVirialEBinMultiThreaded.MyData> allMyData,
                             long totalCount,
                             int n)

writeWeights

public void writeWeights(java.lang.String filename)

writeWeights

public static void writeWeights(java.lang.String filename,
                                java.util.Map<IntSet,MeterVirialEBinMultiThreaded.MyData> allMyData)

mergeData

public void mergeData(java.util.Map<IntSet,MeterVirialEBinMultiThreaded.MyData> moreData)

readWriteData

public void readWriteData(java.lang.String[] readFilenames,
                          java.lang.String writeFilename,
                          int n)

This method reads all input files in parallel and writes lines out to the new file as the bin data is known to be complete.

readData

public void readData(java.lang.String[] filenames,
                     int n)

readData

public void readData(java.lang.String[] filenames,
                     int n,
                     boolean dropCov)

readProcessData

public static void readProcessData(java.lang.String filename,
                                   int n)

readDataReBin

public void readDataReBin(java.lang.String[] filenames,
                          int n,
                          int newNumBins)

readWeights

public void readWeights(java.lang.String filename,
                        int n)

recomputeWeights

public void recomputeWeights()

recomputeWeights

public static void recomputeWeights(java.util.Map<IntSet,MeterVirialEBinMultiThreaded.MyData> allMyData,
                                    long totalCount,
                                    int n)

recomputeWeights

public static void recomputeWeights(java.util.Map<IntSet,MeterVirialEBinMultiThreaded.MyData> allMyData,
                                    long totalCount,
                                    boolean doPadVar,
                                    int n)

This method will read MyData.unscreenedCount and MyData.accumulator and write to MyData.weight.

getTargetCluster

public ClusterWheatleyExtendSW getTargetCluster()

getBox

public BoxCluster getBox()

setBox

public void setBox(BoxCluster newBox)

getAllMyData

public java.util.Map<IntSet,MeterVirialEBinMultiThreaded.MyData> getAllMyData()

getMathContext

public java.math.MathContext getMathContext()

getTotalCount

public long getTotalCount()

makeData

protected MeterVirialEBinMultiThreaded.MyData makeData(int n)