Package org.jmol.smiles

Class SmilesMeasure

java.lang.Object
org.jmol.smiles.SmilesMeasure
public class SmilesMeasure extends Object

  • Field Details

    • nPoints

      int nPoints

    • type

      int type

    • index

      int index

    • isNot

      boolean isNot

    • indices

      private int[] indices

    • TYPES

      static final String TYPES
      See Also:

    • minmax

      private final float[] minmax

    • radiansPerDegree

      private static final float radiansPerDegree
      See Also:

    • points

      private final javajs.util.P3[] points

  • Constructor Details

    • SmilesMeasure

      SmilesMeasure(SmilesSearch search, int index, int type, boolean isNot, float[] minmax)

  • Method Details

    • addPoint

      boolean addPoint(int index)

    • check

      boolean check()

    • setTorsionData

      public static float setTorsionData(javajs.util.T3 pt1a, javajs.util.T3 pt1, javajs.util.T3 pt2, javajs.util.T3 pt2a, VTemp v, boolean withDihedral)
      calculate temporary points
      Parameters:
      pt1a -
      pt1 -
      pt2 -
      pt2a -
      v -
      withDihedral -
      Returns:
      dihedral or 0

    • toString

      public String toString()
      Overrides:
      toString in class Object