Enum StereoGroupType

  • All Implemented Interfaces:
    java.io.Serializable, java.lang.Comparable<StereoGroupType>

    public enum StereoGroupType
    extends java.lang.Enum<StereoGroupType>
    Indicate if a stereo-center belongs to a certain stereo group type. The group can be specified on the AtomParity. For formats that support enhanced stereo (currently only CXSMILES) you would normally also have a group number (e.g. Rac1/&1, Rac2/&2, Rac3/&3, etc) however there is currently no way to specify this separation in IUPAC. An extension may be to indicate grouping with parenthesis "(1RS)-,(3RS)-" "((1RS),(3RS))-". However the most common cases of mixed stereo groups are likely to be where part of the structure is known (absolute) and part is racemic/relative which can be specified like this "(1RS,3R)-". The most common cases are all absolute, all racemic (AND enantiomer), all relative (OR enantiomer).
    • Enum Constant Summary

      Enum Constants 
      Enum Constant Description
      Abs
      Absolute stereochemistry, the configuration of the stereo center is known.
      Rac
      Racemic stereochemistry, the molecule is a mixture of the stereo center.
      Rel
      Relative stereochemistry, the configuration of a stereo center is unknown but may be known relative to another configuration.
      Unk
      Fallback sentinel value to ensure non-null.
    • Method Summary

      All Methods Static Methods Concrete Methods 
      Modifier and Type Method Description
      static StereoGroupType valueOf​(java.lang.String name)
      Returns the enum constant of this type with the specified name.
      static StereoGroupType[] values()
      Returns an array containing the constants of this enum type, in the order they are declared.
      • Methods inherited from class java.lang.Enum

        clone, compareTo, equals, finalize, getDeclaringClass, hashCode, name, ordinal, toString, valueOf
      • Methods inherited from class java.lang.Object

        getClass, notify, notifyAll, wait, wait, wait
    • Enum Constant Detail

      • Abs

        public static final StereoGroupType Abs
        Absolute stereochemistry, the configuration of the stereo center is known.
      • Rac

        public static final StereoGroupType Rac
        Racemic stereochemistry, the molecule is a mixture of the stereo center.
      • Rel

        public static final StereoGroupType Rel
        Relative stereochemistry, the configuration of a stereo center is unknown but may be known relative to another configuration.
      • Unk

        public static final StereoGroupType Unk
        Fallback sentinel value to ensure non-null.
    • Method Detail

      • values

        public static StereoGroupType[] values()
        Returns an array containing the constants of this enum type, in the order they are declared. This method may be used to iterate over the constants as follows:
        for (StereoGroupType c : StereoGroupType.values())
            System.out.println(c);
        
        Returns:
        an array containing the constants of this enum type, in the order they are declared
      • valueOf

        public static StereoGroupType valueOf​(java.lang.String name)
        Returns the enum constant of this type with the specified name. The string must match exactly an identifier used to declare an enum constant in this type. (Extraneous whitespace characters are not permitted.)
        Parameters:
        name - the name of the enum constant to be returned.
        Returns:
        the enum constant with the specified name
        Throws:
        java.lang.IllegalArgumentException - if this enum type has no constant with the specified name
        java.lang.NullPointerException - if the argument is null