Package etomica.molecule.iterator

Class MpiInnerFixed

java.lang.Object

etomica.molecule.iterator.MpiInnerFixed

All Implemented Interfaces:

AtomsetIterator, MoleculesetIterator, java.io.Serializable

public final class MpiInnerFixed
extends java.lang.Object
implements MoleculesetIterator, java.io.Serializable

Pair iterator synthesized from two atom iterators, such that the inner-loop iteration is independent of the outer-loop atom. Pairs are formed from the atoms yielded by the two atom iterators. It is expected that the inner-loop iterator will yield the same set of atoms with each pass of the outer loop. All pairs returned by iterator are the same AtomPair instance, and differ only in the Atom instances held by it.

Iterator can be condition to put the atoms in either order in the AtomPair that it returns. Thus the inner-loop Atom may be atom0 of the returned AtomPair, or it may be atom1. This behavior is set at construction, and cannot be changed afterwards. Default behavior has outer loop atoms as atom0, and inner loop atoms as atom1.

See Also:

Serialized Form

Constructor Summary

Constructors

Constructor	Description
MpiInnerFixed(MoleculeIterator aiOuter, MoleculeIterator aiInner, boolean doSwap)	Construct a pair iterator using the given atom iterators, indicating whether the atoms ordering in the AtomPair should be swapped from the default behavior.

Method Summary

Modifier and Type	Method	Description
MoleculeIterator	getInnerIterator()	Accessor method for the inner-loop atom iterator.
MoleculeIterator	getOuterIterator()	Accessor method for the outer-loop atom iterator.
int	nBody()	Returns the number of atoms given in each iterate, i.e., the size of the atom array returned with each call to next().
IMoleculeList	next()	Returns the next pair of atoms.
void	reset()	Resets the iterator, so that it is ready to go through all of its pairs.
int	size()	Returns the number of pairs given by this iterator.
void	unset()	Sets the iterator such that hasNext is false.

Methods inherited from class java.lang.Object

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

Constructor Detail

MpiInnerFixed

public MpiInnerFixed(MoleculeIterator aiOuter,
                     MoleculeIterator aiInner,
                     boolean doSwap)

Construct a pair iterator using the given atom iterators, indicating whether the atoms ordering in the AtomPair should be swapped from the default behavior.

Parameters:

aiOuter - outer-loop iterator

aiInner - inner-loop iterator

Method Detail

getOuterIterator

public MoleculeIterator getOuterIterator()

Accessor method for the outer-loop atom iterator.

Returns:

the current outer-loop iterator

getInnerIterator

public MoleculeIterator getInnerIterator()

Accessor method for the inner-loop atom iterator.

Returns:

the current inner-loop iterator

unset

public void unset()

Sets the iterator such that hasNext is false.

Specified by:

unset in interface AtomsetIterator

size

public int size()

Returns the number of pairs given by this iterator. Not dependent on state of hasNext.

Specified by:

size in interface AtomsetIterator

reset

public void reset()

Resets the iterator, so that it is ready to go through all of its pairs. A previously returned pair may be altered by this method.

Specified by:

reset in interface AtomsetIterator

next

public final IMoleculeList next()

Returns the next pair of atoms. The same AtomPair instance is returned every time, but the Atoms it holds are (of course) different for each iterate.

Specified by:

next in interface MoleculesetIterator

nBody

public final int nBody()

Description copied from interface: AtomsetIterator

Returns the number of atoms given in each iterate, i.e., the size of the atom array returned with each call to next().

Specified by:

nBody in interface AtomsetIterator

Returns: