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