org.jmol.jvxl.readers

Class IsoShapeReader

class IsoShapeReader extends VolumeDataReader

Field Summary
static doubleA0
booleanallowNegative
static float[]fact
intmaxGrid
double[]pfactor
floatppa
intpsi_l
intpsi_m
intpsi_n
floatpsi_Znuc
Point3fptPsi
floatradius
double[]rfactor
static doubleROOT2
floatsphere_radiusAngstroms
Constructor Summary
IsoShapeReader(SurfaceGenerator sg, float radius)
IsoShapeReader(SurfaceGenerator sg, int n, int l, int m, float z_eff)
Method Summary
floatautoScaleOrbital()
voidcalcFactors(int n, int el, int m)
protected floatgetValue(int x, int y, int z)
doublehydrogenAtomPsiAt(Point3f pt, int n, int el, int m)
voidsetHeader(String line1)
protected voidsetup()

Field Detail

A0

private static final double A0

allowNegative

private boolean allowNegative

fact

private static final float[] fact

maxGrid

private int maxGrid

pfactor

private double[] pfactor

ppa

private float ppa

psi_l

private int psi_l

psi_m

private int psi_m

psi_n

private int psi_n

psi_Znuc

private float psi_Znuc

ptPsi

private final Point3f ptPsi

radius

private float radius

rfactor

private double[] rfactor

ROOT2

private static final double ROOT2

sphere_radiusAngstroms

private float sphere_radiusAngstroms

Constructor Detail

IsoShapeReader

IsoShapeReader(SurfaceGenerator sg, float radius)

IsoShapeReader

IsoShapeReader(SurfaceGenerator sg, int n, int l, int m, float z_eff)

Method Detail

autoScaleOrbital

private float autoScaleOrbital()

calcFactors

private void calcFactors(int n, int el, int m)

getValue

protected float getValue(int x, int y, int z)

hydrogenAtomPsiAt

private double hydrogenAtomPsiAt(Point3f pt, int n, int el, int m)

setHeader

private void setHeader(String line1)

setup

protected void setup()