org.jmol.quantum
abstract class QuantumCalculation extends Object
| Field Summary | |
|---|---|
| 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 | |
|---|---|
| protected void | initialize(int n) |
| protected void | setMinMax() |
| protected void | setupCoordinates(float[] originXYZ, float[] stepsXYZ) |
| protected void | setVolume(VolumeDataInterface volumeData, BitSet bsSelected) |