Package etomica.virial

Class CoordinatePairMoleculeSet

java.lang.Object

etomica.virial.CoordinatePairMoleculeSet

All Implemented Interfaces:

CoordinatePairSet

public class CoordinatePairMoleculeSet
extends java.lang.Object
implements CoordinatePairSet

Field Summary

Fields

Modifier and Type	Field	Description
protected IMolecule[]	atoms
protected Vector	dr
protected long	ID
protected Vector	iPosition
protected int	numAtoms
protected IMoleculePositionDefinition	positionDefinition
protected double[]	r2

Constructor Summary

Constructors

Constructor	Description
CoordinatePairMoleculeSet(IMoleculeList list, Space space)	Constructor for CoordinatePairLeafSet.

Method Summary

Modifier and Type	Method	Description
void	E(CoordinatePairLeafSet c)
long	getID()
IMoleculePositionDefinition	getPositionDefinition()
double	getr2(int i, int j)	Returns atom pair for ith and jth atoms in set.
void	reset(long cPairID)	Informs the CoordinatePairSet that the configuration has changed and that it has a new ID
void	setPositionDefinition(IMoleculePositionDefinition positionDefinition)

Methods inherited from class java.lang.Object

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

Field Detail

r2

protected final double[] r2

atoms

protected final IMolecule[] atoms

numAtoms

protected final int numAtoms

dr

protected final Vector dr

iPosition

protected final Vector iPosition

ID

protected long ID

positionDefinition

protected IMoleculePositionDefinition positionDefinition

Constructor Detail

CoordinatePairMoleculeSet

public CoordinatePairMoleculeSet(IMoleculeList list,
                                 Space space)

Constructor for CoordinatePairLeafSet.

Parameters:

list - The list of atoms for which the set of pairs is formed.

Method Detail

getPositionDefinition

public IMoleculePositionDefinition getPositionDefinition()

setPositionDefinition

public void setPositionDefinition(IMoleculePositionDefinition positionDefinition)

getr2

public double getr2(int i,
                    int j)

Returns atom pair for ith and jth atoms in set.

Specified by:

getr2 in interface CoordinatePairSet

reset

public void reset(long cPairID)

Description copied from interface: CoordinatePairSet

Informs the CoordinatePairSet that the configuration has changed and that it has a new ID

Specified by:

reset in interface CoordinatePairSet

E

public void E(CoordinatePairLeafSet c)

getID

public long getID()

Specified by:

getID in interface CoordinatePairSet