Package org.jmol.atomdata
Class AtomData
- java.lang.Object
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- org.jmol.atomdata.AtomData
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public class AtomData extends java.lang.Object
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Field Summary
Fields Modifier and Type Field Description int
ac
int
adpMode
int[]
atomicNumber
int[]
atomIndex
int[]
atomMolecule
float[]
atomRadius
Atom[]
atoms
BS
bsIgnored
BS[]
bsMolecules
BS
bsSelected
java.lang.String
fileName
int
firstAtomIndex
int
firstModelIndex
float
hAtomRadius
javajs.util.P3[][]
hAtoms
int
hydrogenAtomCount
int
lastModelIndex
static int
MODE_FILL_COORDS
static int
MODE_FILL_MODEL
static int
MODE_FILL_MOLECULES
static int
MODE_FILL_MULTIMODEL
static int
MODE_FILL_RADII
static int
MODE_GET_ATTACHED_HYDROGENS
int
modelIndex
java.lang.String
modelName
java.lang.String
programInfo
RadiusData
radiusData
javajs.util.P3[]
xyz
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Constructor Summary
Constructors Constructor Description AtomData()
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Method Summary
All Methods Instance Methods Concrete Methods Modifier and Type Method Description void
transformXYZ(javajs.util.M4 mat, BS bs)
allow for transformed XYZ
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Field Detail
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MODE_FILL_MODEL
public static final int MODE_FILL_MODEL
- See Also:
- Constant Field Values
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MODE_FILL_COORDS
public static final int MODE_FILL_COORDS
- See Also:
- Constant Field Values
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MODE_FILL_RADII
public static final int MODE_FILL_RADII
- See Also:
- Constant Field Values
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MODE_FILL_MOLECULES
public static final int MODE_FILL_MOLECULES
- See Also:
- Constant Field Values
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MODE_GET_ATTACHED_HYDROGENS
public static final int MODE_GET_ATTACHED_HYDROGENS
- See Also:
- Constant Field Values
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MODE_FILL_MULTIMODEL
public static final int MODE_FILL_MULTIMODEL
- See Also:
- Constant Field Values
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programInfo
public java.lang.String programInfo
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fileName
public java.lang.String fileName
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modelName
public java.lang.String modelName
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modelIndex
public int modelIndex
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bsSelected
public BS bsSelected
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bsIgnored
public BS bsIgnored
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bsMolecules
public BS[] bsMolecules
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radiusData
public RadiusData radiusData
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firstAtomIndex
public int firstAtomIndex
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firstModelIndex
public int firstModelIndex
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lastModelIndex
public int lastModelIndex
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hAtomRadius
public float hAtomRadius
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atomIndex
public int[] atomIndex
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atoms
public Atom[] atoms
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xyz
public javajs.util.P3[] xyz
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atomRadius
public float[] atomRadius
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atomicNumber
public int[] atomicNumber
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atomMolecule
public int[] atomMolecule
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hAtoms
public javajs.util.P3[][] hAtoms
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ac
public int ac
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hydrogenAtomCount
public int hydrogenAtomCount
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adpMode
public int adpMode
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Method Detail
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transformXYZ
public void transformXYZ(javajs.util.M4 mat, BS bs)
allow for transformed XYZ- Parameters:
mat
-bs
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