Class PolyhedronStereoSorter

java.lang.Object
org.jmol.smiles.PolyhedronStereoSorter
All Implemented Interfaces:
Comparator<Object[]>

class PolyhedronStereoSorter extends Object implements Comparator<Object[]>
  • Field Details

    • vTemp

      private javajs.util.V3 vTemp
    • vRef

      private javajs.util.V3 vRef
    • align1

      private javajs.util.V3 align1
    • align2

      private javajs.util.V3 align2
    • MIN_ALIGNED

      private static final float MIN_ALIGNED
      See Also:
  • Constructor Details

    • PolyhedronStereoSorter

      PolyhedronStereoSorter()
  • Method Details

    • setRef

      void setRef(javajs.util.V3 vRef)
    • compare

      public int compare(Object[] a, Object[] b)
      Comparison is by torsion angle, as set previously and passed in as Float a[1] and b[1]. If these two are within 1 degree of each other, then we compare the dot product of the reference vector and the vector from a to b, from points stored as a[2] and b[2].
      Specified by:
      compare in interface Comparator<Object[]>
    • isAligned

      boolean isAligned(javajs.util.T3 pt1, javajs.util.T3 pt2, javajs.util.T3 pt3)
      check alignment, within 10 degrees is considered aligned.
      Parameters:
      pt1 -
      pt2 -
      pt3 -
      Returns:
      true if within 10 degrees