MpiInnerVariable

java.lang.Object
- etomica.molecule.iterator.MpiInnerVariable

All Implemented Interfaces:

AtomsetIterator, MoleculesetIterator, java.io.Serializable
```
public class MpiInnerVariable
extends java.lang.Object
implements MoleculesetIterator, java.io.Serializable
```
Pair iterator synthesized from two atom iterators, such that the inner-loop iteration depends on the outer-loop atom. Pairs are formed from the atoms yielded by the two atom iterators. The inner-loop iterator must implement AtomIteratorAtomDependent, and its set(Atom) method will be invoked with the current outer-loop atom at the start of each inner-loop iteration. All pairs returned by iterator are the same Atom[] 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

Field Summary

Fields
Modifier and Type	Field	Description
`protected MoleculeIteratorMoleculeDependent`	`aiInner`	The iterators used to generate the sets of atoms.
`protected MoleculeIterator`	`aiOuter`
`protected boolean`	`doSwap`
`protected MoleculePair`	`pair`

Constructor Summary

Constructors
Constructor	Description
`MpiInnerVariable(MoleculeIterator aiOuter, MoleculeIteratorMoleculeDependent 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

All Methods Instance Methods Concrete Methods
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

- Field Detail
  - pair
```
protected final MoleculePair pair
```
  - aiInner
```
protected final MoleculeIteratorMoleculeDependent aiInner
```
    The iterators used to generate the sets of atoms.
  - aiOuter
```
protected final MoleculeIterator aiOuter
```
  - doSwap
```
protected final boolean doSwap
```
- Constructor Detail
  - MpiInnerVariable
```
public MpiInnerVariable(MoleculeIterator aiOuter,
                        MoleculeIteratorMoleculeDependent 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
    
    doSwap - if false (default), outer-loop atoms are given in atom0, and inner loop in atom1; if true outer-loop atoms are given in atom1, and inner loop in atom0
- 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. Independent of state of hasNext. Clobbers the iteration state (i.e., status of hasNext/next) but does not recondition iterator (i.e., does not change set of iterates that would be given on iteration after reset). Must perform reset if attempting iteration after using size() method.
    
    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.
    
    Specified by:
    
    reset in interface AtomsetIterator
  - next
```
public IMoleculeList next()
```
    Returns the next pair of atoms. The same Atom[] 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:

Class MpiInnerVariable

Field Summary

Constructor Summary

Method Summary

Methods inherited from class java.lang.Object

Field Detail

pair

aiInner

aiOuter

doSwap

Constructor Detail

MpiInnerVariable

Method Detail

getOuterIterator

getInnerIterator

unset

size

reset

next

nBody