Package etomica.atom.iterator

Class AtomsetIteratorAllLeafAtoms

java.lang.Object

etomica.atom.iterator.AtomsetIteratorAllLeafAtoms

All Implemented Interfaces:

AtomLeafsetIterator, AtomsetIterator, AtomsetIteratorBasisDependent, AtomsetIteratorTargetable

public class AtomsetIteratorAllLeafAtoms
extends java.lang.Object
implements AtomsetIteratorBasisDependent

Iterator for all the molecules of a set of species in a box. Each iterate is all the molecules in a box, with each Atom as the first atom in the set. This class is used by PotentialMaster to iterate over molecules for N-body potentials.

This class is designed to work and conform to the API... not to be efficient or pleasant to look at! Use neighbor lists.

Constructor Summary

Constructors

Constructor	Description
AtomsetIteratorAllLeafAtoms()

Method Summary

Modifier and Type	Method	Description
int	basisSize()	Indicates the size of the basis needed to set the iterator.
boolean	haveTarget(IAtom target)	Returns true if the iterator with its current basis would return an iterate for the given target.
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().
IAtomList	next()	Returns the next AtomSet iterate, or null if hasNext() is false.
void	reset()	Resets the iterator to loop through its iterates again.
void	setBasis(IMoleculeList atoms)	Identifies the atoms that form the basis for iteration, such that the childList atoms of those given will form the iterates.
void	setTarget(IAtom newTargetAtom)	Sets the target of iteration...
int	size()	Returns the number of iterates given by this iterator, if iterated after a call to reset().
void	unset()	Puts iterator in a state in which hasNext() returns false.

Methods inherited from class java.lang.Object

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

Constructor Detail

AtomsetIteratorAllLeafAtoms

public AtomsetIteratorAllLeafAtoms()

Method Detail

setTarget

public void setTarget(IAtom newTargetAtom)

Sets the target of iteration... has no actual effect since all iterates contain all Atoms.

Specified by:

setTarget in interface AtomsetIteratorTargetable

reset

public void reset()

Description copied from interface: AtomsetIterator

Resets the iterator to loop through its iterates again.

Specified by:

reset in interface AtomsetIterator

unset

public void unset()

Description copied from interface: AtomsetIterator

Puts iterator in a state in which hasNext() returns false.

Specified by:

unset in interface AtomsetIterator

next

public IAtomList next()

Description copied from interface: AtomLeafsetIterator

Returns the next AtomSet iterate, or null if hasNext() is false.

Specified by:

next in interface AtomLeafsetIterator

nBody

public 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:

size

public int size()

Returns the number of iterates given by this iterator, if iterated after a call to reset().

Specified by:

size in interface AtomsetIterator

basisSize

public int basisSize()

Description copied from interface: AtomsetIteratorBasisDependent

Indicates the size of the basis needed to set the iterator. The length of the array given to setBasis should be this value.

Specified by:

basisSize in interface AtomsetIteratorBasisDependent

Returns:

the size of the basis for this iterator.

haveTarget

public boolean haveTarget(IAtom target)

Description copied from interface: AtomsetIteratorBasisDependent

Returns true if the iterator with its current basis would return an iterate for the given target.

Specified by:

haveTarget in interface AtomsetIteratorBasisDependent

setBasis

public void setBasis(IMoleculeList atoms)

Description copied from interface: AtomsetIteratorBasisDependent

Identifies the atoms that form the basis for iteration, such that the childList atoms of those given will form the iterates.

Specified by:

setBasis in interface AtomsetIteratorBasisDependent

Parameters:

atoms - The basis atoms; a null basis will condition the iterator to give no iterates until a valid basis is specified via another call to this method.