public abstract class QuantumPlaneCalculation extends QuantumCalculation
atomIndex, bohr_per_angstrom, bsExcluded, countsXYZ, doDebug, firstAtomOffset, integration, nX, nY, nZ, originBohr, points, qmAtoms, rangeBohrOrAngstroms, stepBohr, thisAtom, unitFactor, volume, voxelData, voxelDataTemp, X, X2, xBohr, xMax, xMin, Y, Y2, yBohr, yMax, yMin, Z, Z2, zBohr, zMax, zMin
Constructor and Description |
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QuantumPlaneCalculation() |
Modifier and Type | Method and Description |
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abstract void |
calcPlane(int x,
float[] plane)
Fill this plane with data based on the current set of raw data planes.
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abstract float |
getNoValue()
Get that value that represents "no value" so that it can be
disregarded in terms of recording and reporting the min/max/mean.
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abstract void |
getPlane(int x,
float[] yzPlane) |
abstract float |
process(int vA,
int vB,
float f)
Data mapping function to radically increase speed and reduce
memory requirements of mapping data when the mapping comes from
the same data set as the points, so isosurface creation and
data mapping can be carried out both in the first (and only) pass.
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abstract void |
setPlanes(float[][] planes)
Planes to use for holding raw file data.
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createCube, getIntegration, initialize, initialize0, initializeOnePoint, initializeOnePointQC, process, processPoints, processPt, setMinMax, setupCoordinates, setXYZBohr
public abstract void setPlanes(float[][] planes)
planes
- a set of four planes that shifts as the progressive
Marching Cubes process moves alongpublic abstract void calcPlane(int x, float[] plane)
x
- plane
- public abstract float process(int vA, int vB, float f)
vA
- absolute pointer to vertex A on gridvB
- absolute pointer to vertex B on gridf
- fractional way from A to Bpublic abstract float getNoValue()
public abstract void getPlane(int x, float[] yzPlane)