AtomIndexIterator
public class UnitCellIterator extends java.lang.Object implements AtomIndexIterator
Modifier and Type | Field | Description |
---|---|---|
private Atom[] |
atoms |
|
private javajs.util.T3 |
center |
|
private float |
distance2 |
|
private boolean |
done |
|
private int |
ipt |
|
private int |
listPt |
|
private float |
maxDistance2 |
|
private javajs.util.P3i |
maxXYZ |
|
private javajs.util.P3i |
minXYZ |
|
private int |
nAtoms |
|
private int |
nFound |
|
private javajs.util.P3 |
p |
|
private javajs.util.P3i |
t |
|
private javajs.util.T3 |
translation |
|
private SymmetryInterface |
unitCell |
|
private javajs.util.Lst<javajs.util.P3[]> |
unitList |
Constructor | Description |
---|---|
UnitCellIterator() |
Modifier and Type | Method | Description |
---|---|---|
void |
addAtoms(BS bsAtoms) |
|
float |
foundDistance2() |
|
private Atom |
getAtom() |
|
javajs.util.P3 |
getPosition() |
|
boolean |
hasNext() |
|
int |
next() |
|
private boolean |
nextCell() |
|
void |
release() |
|
UnitCellIterator |
set(SymmetryInterface unitCell,
Atom atom,
Atom[] atoms,
BS bsAtoms,
float distance) |
|
void |
setCenter(javajs.util.T3 center,
float distance) |
|
void |
setModel(ModelSet modelSet,
int modelIndex,
int zeroBase,
int atomIndex,
javajs.util.T3 center,
float distance,
RadiusData rd) |
private Atom[] atoms
private javajs.util.T3 center
private javajs.util.T3 translation
private int nFound
private float maxDistance2
private float distance2
private SymmetryInterface unitCell
private javajs.util.P3i minXYZ
private javajs.util.P3i maxXYZ
private javajs.util.P3i t
private javajs.util.P3 p
private int ipt
private javajs.util.Lst<javajs.util.P3[]> unitList
private boolean done
private int nAtoms
private int listPt
public UnitCellIterator set(SymmetryInterface unitCell, Atom atom, Atom[] atoms, BS bsAtoms, float distance)
unitCell
- atom
- atoms
- bsAtoms
- distance
- <= 0 indicates that distance will be set later, probably from a
pointpublic void setModel(ModelSet modelSet, int modelIndex, int zeroBase, int atomIndex, javajs.util.T3 center, float distance, RadiusData rd)
setModel
in interface AtomIndexIterator
zeroBase
- an offset used in the AtomIteratorWithinSet onlypublic void setCenter(javajs.util.T3 center, float distance)
setCenter
in interface AtomIndexIterator
public void addAtoms(BS bsAtoms)
addAtoms
in interface AtomIndexIterator
public boolean hasNext()
hasNext
in interface AtomIndexIterator
private boolean nextCell()
public int next()
next
in interface AtomIndexIterator
private Atom getAtom()
public float foundDistance2()
foundDistance2
in interface AtomIndexIterator
public javajs.util.P3 getPosition()
getPosition
in interface AtomIndexIterator
public void release()
release
in interface AtomIndexIterator