Package org.jmol.geodesic

Examples of org.jmol.geodesic.EnvelopeCalculation

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  RadiusData rdLast = new RadiusData();

  public void initShape() {
    super.initShape();
    translucentAllowed = false; //except for geosurface
    ec = new EnvelopeCalculation(viewer, atomCount, mads, viewer.getTestFlag2());
  }
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  void initialize() {
    bsSelected = null;
    bsIgnore = null;
    isActive = false;
    if (ec == null)
      ec = new EnvelopeCalculation(viewer, atomCount, mads, viewer.getTestFlag2());
  }
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  }
 
  public Point3f[] calculateSurface(BitSet bsSelected, float envelopeRadius) {
    if (envelopeRadius < 0)
      envelopeRadius = EnvelopeCalculation.SURFACE_DISTANCE_FOR_CALCULATION;
    EnvelopeCalculation ec = new EnvelopeCalculation(viewer, atomCount, null, viewer.getTestFlag2());
    ec.calculate(new RadiusData(envelopeRadius, RadiusData.TYPE_ABSOLUTE, 0),
        Float.MAX_VALUE,
        bsSelected, BitSetUtil.copyInvert(bsSelected, atomCount),
        false, false, false, true);
    Point3f[] points = ec.getPoints();
    surfaceDistanceMax = 0;
    bsSurface = ec.getBsSurfaceClone();
    surfaceDistance100s = new int[atomCount];
    nSurfaceAtoms = BitSetUtil.cardinalityOf(bsSurface);
    if (nSurfaceAtoms == 0 || points == null || points.length == 0)
      return points;
    //for (int i = 0; i < points.length; i++) {
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Related Classes of org.jmol.geodesic.EnvelopeCalculation

  • org.jmol.api.AtomIndexIterator
  • org.jmol.atomdata.RadiusData
  • org.jmol.modelset.AtomCollection
  • org.jmol.shapespecial.Dots
  • org.jmol.util.FastBitSet
  • java.util.BitSet
  • javax.vecmath.Point3f
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