org.jmol.quantum
abstract class QuantumCalculation extends Object
Field Summary | |
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protected Point3f[] | atomCoordAngstroms |
protected Point3f[] | atomCoordBohr |
protected int | atomIndex |
protected BitSet | atomSet |
protected static float | bohr_per_angstrom |
protected int[] | countsXYZ |
boolean | doDebug |
protected float[] | originBohr |
protected float[] | stepBohr |
protected float[][][] | voxelData |
protected int | xMax |
protected int | xMin |
protected float[][] | xyzBohr |
protected float[] | X |
protected float[] | X2 |
protected int | yMax |
protected int | yMin |
protected float[] | Y |
protected float[] | Y2 |
protected int | zMax |
protected int | zMin |
protected float[] | Z |
protected float[] | Z2 |
Method Summary | |
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protected void | initialize(int n) |
protected void | setMinMax() |
protected void | setupCoordinates(float[] originXYZ, float[] stepsXYZ) |
protected void | setVolume(VolumeDataInterface volumeData, BitSet bsSelected) |