AtomLeafsetIterator, AtomsetIterator, AtomsetIteratorBasisDependent, AtomsetIteratorTargetablepublic class ANIntergroupCoupled extends java.lang.Object implements AtomsetIteratorBasisDependent
| Modifier and Type | Field | Description |
|---|---|---|
protected java.util.ArrayList<IAtomList> |
atomLists |
|
protected AtomArrayList |
atoms |
|
protected int |
counter |
|
protected int |
nBody |
|
protected boolean |
needSetupIterators |
|
protected int |
nLeafAtoms |
| Constructor | Description |
|---|---|
ANIntergroupCoupled(int nBody) |
| Modifier and Type | Method | Description |
|---|---|---|
int |
basisSize() |
Returns 2, indicating that the setBasis method expects an array of two
atoms.
|
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 basisMolecules) |
Specifies the basis, which identifies the molecules subject to
iteration.
|
void |
setTarget(IAtom newTargetAtom) |
|
int |
size() |
The number of iterates returned by this iterator in its current state.
|
void |
unset() |
Puts iterator in a state in which hasNext() returns false.
|
protected final AtomArrayList atoms
protected int counter
protected int nLeafAtoms
protected final java.util.ArrayList<IAtomList> atomLists
protected boolean needSetupIterators
protected final int nBody
public void unset()
AtomsetIteratorunset in interface AtomsetIteratorpublic int size()
AtomsetIteratorsize in interface AtomsetIteratorpublic final int nBody()
AtomsetIteratornBody in interface AtomsetIteratorpublic IAtomList next()
AtomLeafsetIteratornext in interface AtomLeafsetIteratorpublic void setTarget(IAtom newTargetAtom)
setTarget in interface AtomsetIteratorTargetablepublic boolean haveTarget(IAtom target)
AtomsetIteratorBasisDependenthaveTarget in interface AtomsetIteratorBasisDependentpublic void setBasis(IMoleculeList basisMolecules)
setBasis in interface AtomsetIteratorBasisDependentbasisMolecules - 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.public void reset()
AtomsetIteratorreset in interface AtomsetIteratorpublic int basisSize()
basisSize in interface AtomsetIteratorBasisDependent