Package etomica.molecule.iterator

Class MpiIntraspeciesAA

java.lang.Object

etomica.molecule.iterator.MpiIntraspeciesAA

All Implemented Interfaces:

AtomsetIterator, MoleculesetIterator, MoleculesetIteratorBoxDependent, java.io.Serializable

public class MpiIntraspeciesAA
extends java.lang.Object
implements MoleculesetIteratorBoxDependent, java.io.Serializable

Gives pairs formed from the molecules of a single species in a box. Species is specified at construction and cannot be changed afterwards.

See Also:

Serialized Form

Constructor Summary

Constructors

Constructor	Description
MpiIntraspeciesAA(ISpecies species)

Method Summary

Modifier and Type	Method	Description
int	nBody()	Returns 2, indicating that this is a pair iterator
IMoleculeList	next()	Returns the next iterate pair.
void	reset()	Sets iterator in condition to begin iteration.
void	setBox(Box box)	Configures iterator to return molecules from the set species in the given box.
int	size()	Returns the number of iterates, which is list.size*(list.size-1)/2
void	unset()	Sets iterator such that next is null.

Methods inherited from class java.lang.Object

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

Constructor Detail

MpiIntraspeciesAA

public MpiIntraspeciesAA(ISpecies species)

Parameters:

species - species whose molecules will form the pair iterates

Method Detail

setBox

public void setBox(Box box)

Configures iterator to return molecules from the set species in the given box.

Specified by:

setBox in interface MoleculesetIteratorBoxDependent

Throws:

java.lang.NullPointerException - if the Box is null

reset

public void reset()

Sets iterator in condition to begin iteration.

Specified by:

reset in interface AtomsetIterator

unset

public void unset()

Sets iterator such that next is null.

Specified by:

unset in interface AtomsetIterator

size

public int size()

Returns the number of iterates, which is list.size*(list.size-1)/2

Specified by:

size in interface AtomsetIterator

next

public IMoleculeList next()

Returns the next iterate pair. Returns null if hasNext() is false.

Specified by:

next in interface MoleculesetIterator

nBody

public int nBody()

Returns 2, indicating that this is a pair iterator

Specified by:

nBody in interface AtomsetIterator

Returns: