Package etomica.data.meter

Class MeterMeanSquareDisplacement

java.lang.Object

etomica.data.DataSourceScalar

etomica.data.meter.MeterMeanSquareDisplacement

All Implemented Interfaces:

IDataSource

public class MeterMeanSquareDisplacement
extends DataSourceScalar

Computes the mean square displacement for a set of atoms. Use of this meter usually involves another meter must calling this meter's currentValue method, which then reports the current mean square displacement. This meter does not perform any averaging of its own.

Field Summary

Fields

Modifier and Type	Field	Description
protected Vector[]	rAccum
protected Vector[]	rLast

Fields inherited from class etomica.data.DataSourceScalar

data, dataInfo, tag

Constructor Summary

Constructors

Constructor	Description
MeterMeanSquareDisplacement(Space space, IntegratorBox integrator)
MeterMeanSquareDisplacement(Space space, IntegratorBox integrator, AtomIteratorBoxDependent iter)

Method Summary

Modifier and Type	Method	Description
Vector[]	getDataAsArray()
double	getDataAsScalar()	Returns a single scalar value as the measurement for the given box.
void	reset()	Specifies the set of atoms that will be tracked to compute their MSD.
void	setIterator(AtomIteratorBoxDependent iterator)

Methods inherited from class etomica.data.DataSourceScalar

getData, getDataDouble, getDataInfo, getTag

Methods inherited from class java.lang.Object

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

Field Detail

rAccum

protected Vector[] rAccum

rLast

protected Vector[] rLast

Constructor Detail

MeterMeanSquareDisplacement

public MeterMeanSquareDisplacement(Space space,
                                   IntegratorBox integrator)

MeterMeanSquareDisplacement

public MeterMeanSquareDisplacement(Space space,
                                   IntegratorBox integrator,
                                   AtomIteratorBoxDependent iter)

Method Detail

setIterator

public void setIterator(AtomIteratorBoxDependent iterator)

reset

public void reset()

Specifies the set of atoms that will be tracked to compute their MSD. The given iterator loops through the atoms.

getDataAsScalar

public double getDataAsScalar()

Description copied from class: DataSourceScalar

Returns a single scalar value as the measurement for the given box. Subclasses define this method to specify the measurement they make.

Specified by:

getDataAsScalar in class DataSourceScalar

getDataAsArray

public Vector[] getDataAsArray()