Enum Class MarkushAromaticityHandlingOption

All Implemented Interfaces:
chemaxon.sss.search.options.HasOptionString, Serializable, Comparable<MarkushAromaticityHandlingOption>, java.lang.constant.Constable

@PublicAPI @Beta public enum MarkushAromaticityHandlingOption extends Enum<MarkushAromaticityHandlingOption> implements chemaxon.sss.search.options.HasOptionString
Option type describing the way aromaticity is handled in Markush structures.
  • Enum Constant Details


      public static final MarkushAromaticityHandlingOption MATCH_AMBIG_IF_POSSIBLE
      Ambiguous aromatic parts can be matched by a query if it has the same aromaticity as the target Markush structure considering its reduction (enumeration) according to the hit candidate.

      This option results in the most accurate search behavior, but it may be (much) slower than using the other options in case of particular Markush structures with ambiguous aromatic parts.


      public static final MarkushAromaticityHandlingOption KEKULE_MATCH_AMBIG
      Ambiguous aromatic parts are not aromatized in the target Markush structures. That is, these ambiguous rings can only be matched if corresponding query parts have the same aliphatic bonds and they cannot be aromatized.

      This option can result in false negative search results, i.e. an actual hit may not be found.


      public static final MarkushAromaticityHandlingOption ALL_MATCH_AMBIG
      Ambiguous aromatic parts of the target Markush structure can be matched by aliphatic and aromatic forms as well.

      This option can result in false positive search results, i.e. an incorrect hit may be found.

  • Field Details

  • Method Details

    • values

      public static MarkushAromaticityHandlingOption[] values()
      Returns an array containing the constants of this enum class, in the order they are declared.
      an array containing the constants of this enum class, in the order they are declared
    • valueOf

      public static MarkushAromaticityHandlingOption valueOf(String name)
      Returns the enum constant of this class with the specified name. The string must match exactly an identifier used to declare an enum constant in this class. (Extraneous whitespace characters are not permitted.)
      name - the name of the enum constant to be returned.
      the enum constant with the specified name
      IllegalArgumentException - if this enum class has no constant with the specified name
      NullPointerException - if the argument is null
    • toString

      public String toString()
      toString in class Enum<MarkushAromaticityHandlingOption>
    • getOptionString

      public String getOptionString()
      Specified by:
      getOptionString in interface chemaxon.sss.search.options.HasOptionString