Package org.jmol.symmetry
Class UnitCellIterator
- java.lang.Object
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- org.jmol.symmetry.UnitCellIterator
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- All Implemented Interfaces:
AtomIndexIterator
public class UnitCellIterator extends java.lang.Object implements AtomIndexIterator
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Field Summary
Fields 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
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Constructor Summary
Constructors Constructor Description UnitCellIterator()
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Method Summary
All Methods Instance Methods Concrete Methods Modifier and Type Method Description void
addAtoms(javajs.util.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, javajs.util.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)
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Field Detail
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atoms
private Atom[] atoms
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center
private javajs.util.T3 center
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translation
private javajs.util.T3 translation
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nFound
private int nFound
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maxDistance2
private float maxDistance2
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distance2
private float distance2
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unitCell
private SymmetryInterface unitCell
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minXYZ
private javajs.util.P3i minXYZ
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maxXYZ
private javajs.util.P3i maxXYZ
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t
private javajs.util.P3i t
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p
private javajs.util.P3 p
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ipt
private int ipt
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unitList
private javajs.util.Lst<javajs.util.P3[]> unitList
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done
private boolean done
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nAtoms
private int nAtoms
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listPt
private int listPt
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Method Detail
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set
public UnitCellIterator set(SymmetryInterface unitCell, Atom atom, Atom[] atoms, javajs.util.BS bsAtoms, float distance)
- Parameters:
unitCell
-atom
-atoms
-bsAtoms
-distance
- <= 0 indicates that distance will be set later, probably from a point- Returns:
- this
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setModel
public void setModel(ModelSet modelSet, int modelIndex, int zeroBase, int atomIndex, javajs.util.T3 center, float distance, RadiusData rd)
- Specified by:
setModel
in interfaceAtomIndexIterator
zeroBase
- an offset used in the AtomIteratorWithinSet only
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setCenter
public void setCenter(javajs.util.T3 center, float distance)
- Specified by:
setCenter
in interfaceAtomIndexIterator
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addAtoms
public void addAtoms(javajs.util.BS bsAtoms)
- Specified by:
addAtoms
in interfaceAtomIndexIterator
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hasNext
public boolean hasNext()
- Specified by:
hasNext
in interfaceAtomIndexIterator
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nextCell
private boolean nextCell()
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next
public int next()
- Specified by:
next
in interfaceAtomIndexIterator
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getAtom
private Atom getAtom()
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foundDistance2
public float foundDistance2()
- Specified by:
foundDistance2
in interfaceAtomIndexIterator
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getPosition
public javajs.util.P3 getPosition()
- Specified by:
getPosition
in interfaceAtomIndexIterator
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release
public void release()
- Specified by:
release
in interfaceAtomIndexIterator
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