@Override
public float getValueAtPoint(P3 pt, boolean getSource) {
if (haveOneProperty && !getSource) return theProperty;
float dmin = Float.MAX_VALUE;
float dminNearby = Float.MAX_VALUE;
float value = (doSmoothProperty ? 0 : Float.NaN);
float vdiv = 0;
atomDataServer.setIteratorForPoint(iter, modelIndex, pt, maxDistance);
iAtomSurface = -1;
while (iter.hasNext()) {
int ia = iter.next();
int myAtom = myIndex[ia];
boolean isNearby = (myAtom >= firstNearbyAtom);
P3 ptA = atomXyz[myAtom];
float p = atomProp[myAtom];
// System.out.println(iAtom + " " + ia + ptA + " " + isNearby + " " + p);
if (Float.isNaN(p)) continue;
float d2 = pt.distanceSquared(ptA);
if (isNearby) {
if (d2 < dminNearby) {
dminNearby = d2;
if (!doSmoothProperty && dminNearby < dmin) {
dmin = d2;
value = Float.NaN;
}
}
} else if (d2 < dmin) {
dmin = d2;
iAtomSurface = ia;
if (!doSmoothProperty) value = p;
}
if (mepCalc != null) {
value += mepCalc.valueFor(p, d2, calcType);
} else if (doSmoothProperty) {
d2 = (float) Math.pow(d2, smoothingPower);
vdiv += d2;
value += d2 * p;
}
}
// System.out.println(pt + " " + value + " " + vdiv + " " + value / vdiv);
return (mepCalc != null
? value
: doSmoothProperty ? (vdiv == 0 || dminNearby < dmin ? Float.NaN : value / vdiv) : value);
}
@Override
protected void finalizeMapping() {
iter.release();
iter = null;
if (params.showTiming) Logger.checkTimer("property mapping", false);
}
@Override
protected void finalizeMapping() {
iter.release();
iter = null;
if (Logger.debugging) Logger.checkTimer("property mapping time");
}