Package chemaxon.core.calculations.stereo

Class StereoActivePart

java.lang.Object
chemaxon.core.calculations.stereo.StereoActivePart
@PublicApi public class StereoActivePart extends Object
Stereo active molecule part with stereo active atom index and its ligands which takes part in the stereo description.
Since:
Marvin 5.6, 31/05/2011

  • Constructor Details

    • StereoActivePart

      public StereoActivePart(int activeAtomIndex, int[] ligandAtomIndexes)
      Creates a new stereo active part.
      Parameters:
      activeAtomIndex - index of the stereo active atom
      ligandAtomIndexes - indexes of the stereo active atom's ligands that take part in the stereo description

  • Method Details

    • getActiveAtomIndex

      public int getActiveAtomIndex()
      Get the active atom index.
      Returns:
      active atom index

    • getStereoActiveAtom

      @Deprecated(forRemoval=true) @SubjectToRemoval(date=JUL_01_2027) public int getStereoActiveAtom()
      Deprecated, for removal: This API element is subject to removal in a future version.
      Use getActiveAtomIndex() instead.
      Get the active atom index.
      Returns:
      active atom index

    • getLigandIndexes

      public int[] getLigandIndexes()
      Get the indexes of the ligands of the stereo active atom which take part in the stereo description.
      Returns:
      the ligand indexes

    • getLigands

      @Deprecated(forRemoval=true) @SubjectToRemoval(date=JUL_01_2027) public int[] getLigands()
      Deprecated, for removal: This API element is subject to removal in a future version.
      Use getLigandIndexes() instead.
      Get the indexes of the ligands of the stereo active atom which take part in the stereo description.
      Returns:
      the ligand indexes

    • setActiveAtomReference

      public void setActiveAtomReference(MolAtom stereoActiveAtom)
      For internal use only. Sets the atom reference.

    • getActiveAtomReference

      public MolAtom getActiveAtomReference()
      For internal use only. Returns the atom reference.

    • equals

      public boolean equals(Object object)
      Overrides:
      equals in class Object

    • equalsTo

      public boolean equalsTo(Object o, int[] map)

    • toString

      public String toString()
      Overrides:
      toString in class Object

    • hashCode

      public int hashCode()
      Overrides:
      hashCode in class Object