Package org.jmol.jvxl.readers

Examples of org.jmol.jvxl.readers.Parameters

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  public static void main(String[] args) {

    // parameters that need setting:

    Parameters params = new Parameters();
    String outputFile = "c:/temp/simple.jvxl";
    params.cutoff = 0.01f;
    params.isCutoffAbsolute = false;
   
    int nX = 31;
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      int nTotal = (thisMO > 0 ? 1 : nOrb);
      int i0 = (nTotal == 1 && currentMO > 0 ? currentMO : 1);
      for (int i = i0; i <= nOrb; i++)
        if (thisMO == 0 || thisMO == i || !doOneMo && i == currentMO) {
          if (!doOneMo) {
            Parameters params = sg.getParams();
            super.setProperty("init", params, null);
            setOrbital(i);
          }
          jvxlData.moleculeXml = viewer.getModelCml(viewer.getModelUndeletedAtomsBitSet(thisMesh.modelIndex), 100, true);
          if (!haveHeader) {
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Related Classes of org.jmol.jvxl.readers.Parameters

  • org.jmol.shapesurface.MolecularOrbital
  • org.openscience.jvxl.simplewriter.ASimpleJvxlWriter
  • javax.vecmath.Matrix3f
  • javax.vecmath.AxisAngle4f
  • javax.vecmath.Vector3f
  • java.util.List
  • javax.vecmath.Point4f
  • javax.vecmath.Point3f
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