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