Enum MarkushAromaticityHandlingOption

    • Enum Constant Detail


        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.

    • Method Detail

      • values

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

        public static MarkushAromaticityHandlingOption valueOf​(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.)
        name - the name of the enum constant to be returned.
        the enum constant with the specified name
        IllegalArgumentException - if this enum type has no constant with the specified name
        NullPointerException - if the argument is null
      • getOptionString

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