Package etomica.virial

Class MeterVirialBDBinMultiThreaded

java.lang.Object

etomica.virial.MeterVirialBDBinMultiThreaded

All Implemented Interfaces:

IAction

public class MeterVirialBDBinMultiThreaded
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	MeterVirialBDBinMultiThreaded.MyData

Field Summary

Fields

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

Constructor Summary

Constructors

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

Method Summary

Modifier and Type	Method	Description
void	actionPerformed()	Completes the action defined by the class implementing this interface.
java.util.Map<IntSet,MeterVirialBDBinMultiThreaded.MyData>	getAllMyData()
BoxCluster	getBox()
java.math.MathContext	getMathContext()
ClusterWheatley	getTargetCluster()
long	getTotalCount()
void	mergeData(java.util.Map<IntSet,MeterVirialBDBinMultiThreaded.MyData> moreData)
void	readData(java.lang.String[] filenames)
void	readWeights(java.lang.String filename)
void	recomputeWeights()
static void	recomputeWeights(java.util.Map<IntSet,MeterVirialBDBinMultiThreaded.MyData> allMyData, long totalCount)
static void	recomputeWeights(java.util.Map<IntSet,MeterVirialBDBinMultiThreaded.MyData> allMyData, long totalCount, boolean doPadVar)	This method will read MyData.unscreenedCount and MyData.accumulator and write to MyData.weight.
void	setBox(BoxCluster newBox)
void	setDoExcludeBogusConfigs(boolean newDoExclude)
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,MeterVirialBDBinMultiThreaded.MyData> allMyData, long totalCount)
void	writeWeights(java.lang.String filename)
static void	writeWeights(java.lang.String filename, java.util.Map<IntSet,MeterVirialBDBinMultiThreaded.MyData> allMyData)

Methods inherited from class java.lang.Object

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

Field Detail

random

protected final IRandom random

targetCluster

protected final ClusterWheatley targetCluster

mc

protected final java.math.MathContext mc

box

protected BoxCluster box

allMyData

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

tRatio

protected static double tRatio

BDZERO

protected static final java.math.BigDecimal BDZERO

nextReweightStep

protected long nextReweightStep

totalCount

protected final long[] totalCount

property

protected final IntSet.PropertyBin property

nominalWeight

protected double nominalWeight

iThread

protected int iThread

excludeBogusConfigs

protected boolean excludeBogusConfigs

quiet

protected static boolean quiet

Constructor Detail

MeterVirialBDBinMultiThreaded

public MeterVirialBDBinMultiThreaded(ClusterWheatley targetCluster,
                                     IRandom random,
                                     IntSet.PropertyBin prop)

Constructor for MeterVirial.

MeterVirialBDBinMultiThreaded

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

Method Detail

setDoExcludeBogusConfigs

public void setDoExcludeBogusConfigs(boolean newDoExclude)

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,MeterVirialBDBinMultiThreaded.MyData> allMyData,
                             long totalCount)

writeWeights

public void writeWeights(java.lang.String filename)

writeWeights

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

mergeData

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

readData

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

readWeights

public void readWeights(java.lang.String filename)

recomputeWeights

public void recomputeWeights()

recomputeWeights

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

recomputeWeights

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

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

getTargetCluster

public ClusterWheatley getTargetCluster()

getBox

public BoxCluster getBox()

setBox

public void setBox(BoxCluster newBox)

getAllMyData

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

getMathContext

public java.math.MathContext getMathContext()

getTotalCount

public long getTotalCount()