Package etomica.osmoticvirial

Class MeterRminSpecies

java.lang.Object

etomica.data.DataSourceScalar

etomica.osmoticvirial.MeterRminSpecies

All Implemented Interfaces:

IDataSource

public class MeterRminSpecies
extends DataSourceScalar

Calculates minimum pair distance from all the possible pairs of atoms of a particular species as required by Ashton and Wilding's method

Field Summary

Fields

Modifier and Type	Field	Description
protected Boundary	boundary
protected Vector	dr
protected MpiIntraspeciesAA	iterator
protected AtomType	type1
protected AtomType	type2

Fields inherited from class etomica.data.DataSourceScalar

data, dataInfo, tag

Constructor Summary

Constructors

Constructor	Description
MeterRminSpecies(Space space, Box box, ISpecies species)

Method Summary

Modifier and Type	Method	Description
double	getDataAsScalar()	Returns a single scalar value as the measurement for the given box.

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

type1

protected AtomType type1

type2

protected AtomType type2

iterator

protected MpiIntraspeciesAA iterator

dr

protected Vector dr

boundary

protected Boundary boundary

Constructor Detail

MeterRminSpecies

public MeterRminSpecies(Space space,
                        Box box,
                        ISpecies species)

Method Detail

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