Package etomica.nbr.cell.molecule

Class MpiAACell

java.lang.Object

etomica.nbr.cell.molecule.MpiAACell

All Implemented Interfaces:

MoleculesetIteratorCellular, java.io.Serializable

public class MpiAACell
extends java.lang.Object
implements MoleculesetIteratorCellular, java.io.Serializable

Returns iterates formed from all cell-based neighbor pairs.

See Also:

Serialized Form

Field Summary

Fields

Modifier and Type	Field	Description
protected boolean[]	periodicity

Constructor Summary

Constructors

Constructor	Description
MpiAACell(int D, double range, Box box)	Constructor makes iterator that must have box specified and then be reset() before iteration.

Method Summary

Modifier and Type	Method	Description
CellLattice.NeighborIterator	getNbrCellIterator()
int	nBody()	Returns 2, indicating that this is a pair iterator.
IMoleculeList	nextPair()
void	reset()
void	setLattice(CellLattice lattice)
int	size()	Returns the number of atom pairs the iterator will return if reset and iterated in its present state.
void	unset()

Methods inherited from class java.lang.Object

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

Field Detail

periodicity

protected final boolean[] periodicity

Constructor Detail

MpiAACell

public MpiAACell(int D,
                 double range,
                 Box box)

Constructor makes iterator that must have box specified and then be reset() before iteration.

Parameters:

D - the dimension of the space of the simulation (used to construct cell iterators)

range - the distance within which pairs of atoms are considered neighbors. Used to define neighbor cells; some iterates may exceed this separation

Method Detail

setLattice

public void setLattice(CellLattice lattice)

size

public int size()

Returns the number of atom pairs the iterator will return if reset and iterated in its present state.

nextPair

public IMoleculeList nextPair()

unset

public void unset()

nBody

public int nBody()

Returns 2, indicating that this is a pair iterator.

reset

public void reset()

getNbrCellIterator

public CellLattice.NeighborIterator getNbrCellIterator()

Specified by:

getNbrCellIterator in interface MoleculesetIteratorCellular

Returns:

Returns the cellIterator.