Package org.jmol.symmetry
Class UnitCellIterator
java.lang.Object
org.jmol.symmetry.UnitCellIterator
- All Implemented Interfaces:
AtomIndexIterator
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Field Summary
FieldsModifier and TypeFieldDescriptionprivate Atom[]
private javajs.util.T3
private float
private boolean
private int
private int
private float
private javajs.util.P3i
private javajs.util.P3i
private int
private int
private javajs.util.P3
private javajs.util.P3i
private javajs.util.T3
private SymmetryInterface
private javajs.util.Lst
<javajs.util.P3[]> -
Constructor Summary
Constructors -
Method Summary
Modifier and TypeMethodDescriptionvoid
addAtoms
(javajs.util.BS bsAtoms) float
private Atom
getAtom()
javajs.util.P3
boolean
hasNext()
int
next()
private boolean
nextCell()
void
release()
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 Details
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atoms
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center
private javajs.util.T3 center -
translation
private javajs.util.T3 translation -
nFound
private int nFound -
maxDistance2
private float maxDistance2 -
distance2
private float distance2 -
unitCell
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minXYZ
private javajs.util.P3i minXYZ -
maxXYZ
private javajs.util.P3i maxXYZ -
t
private javajs.util.P3i t -
p
private javajs.util.P3 p -
ipt
private int ipt -
unitList
private javajs.util.Lst<javajs.util.P3[]> unitList -
done
private boolean done -
nAtoms
private int nAtoms -
listPt
private int listPt
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Constructor Details
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UnitCellIterator
public UnitCellIterator()
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Method Details
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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
- invalid input: '<'= 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
- Parameters:
modelSet
-modelIndex
-zeroBase
- an offset used in the AtomIteratorWithinSet onlyatomIndex
-center
-distance
-rd
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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() -
next
public int next()- Specified by:
next
in interfaceAtomIndexIterator
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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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