Package chemaxon.checkers

Class StereoCheckUtility

java.lang.Object
chemaxon.checkers.StereoCheckUtility
@PublicAPI @Deprecated public class StereoCheckUtility extends Object
Deprecated.
Will be removed from the public API.
Utility class for stereo chemistry checkers
Since:
5.10

  • Constructor Details

    • StereoCheckUtility

      public StereoCheckUtility()
      Deprecated.

  • Method Details

    • isStereo

      public static boolean isStereo(Molecule mol)
      Deprecated.
      Gets whether the molecule is stereo
      Parameters:
      mol - the target molecule
      Returns:
      whether the molecule is stereo

    • getRSChiralCenters

      public static List<MolAtom> getRSChiralCenters(Molecule mol)
      Deprecated.
      Gets the (R) and (S) chiral centers of the molecule
      Parameters:
      mol - the target molecule
      Returns:
      the (R) and (S) chiral centers of the molecule

    • getUndefinedRSChiralCenters

      public static List<MolAtom> getUndefinedRSChiralCenters(Molecule mol)
      Deprecated.
      Gets the undefined (R) and (S) chiral centers of the molecule
      Parameters:
      mol - the target molecule
      Returns:
      the undefined (R) and (S) chiral centers of the molecule

    • getNotAbsoluteRSChiralCenters

      public static List<MolAtom> getNotAbsoluteRSChiralCenters(Molecule mol)
      Deprecated.
      Gets the not absolute (contains non-"and" enhanced) (R) or (S) chiral centers
      Parameters:
      mol - the target molecule
      Returns:
      the not absolute (contains non-"and" enhanced) (R) or (S) chiral centers

    • getNotAbsoluteRSChiralCenters

      public static List<MolAtom> getNotAbsoluteRSChiralCenters(List<MolAtom> allRSChiralCenters)
      Deprecated.
      Gets the not absolute (contains non-"and" enhanced) (R) or (S) chiral centers
      Parameters:
      allRSChiralCenters - list of chiral center atoms
      Returns:
      the not absolute (contains non-"and" enhanced) (R) or (S) chiral centers

    • getrsChiralCenters

      public static List<MolAtom> getrsChiralCenters(Molecule mol)
      Deprecated.
      Gets the (r) and (s) stereo centers of the molecule
      Parameters:
      mol - the target molecule
      Returns:
      the (r) and (s) stereo centers of the molecule

    • getUndefinedrsChiralCenters

      public static List<MolAtom> getUndefinedrsChiralCenters(Molecule mol)
      Deprecated.
      Gets the undefined (r) and (s) stereo centers of the molecule
      Parameters:
      mol - the target molecule
      Returns:
      the undefined (r) and (s) stereo centers of the molecule