Class RatomChecker

    • Field Detail

      • PROPERTY_KEY_SEARCH_ALL

        public static final String PROPERTY_KEY_SEARCH_ALL
        This constant String represents the name of the property which is responsible for searching all ratoms in the molecule
        Since:
        5.7
        See Also:
        Constant Field Values
      • PROPERTY_KEY_SEARCH_DISCONNECTED

        public static final String PROPERTY_KEY_SEARCH_DISCONNECTED
        This constant String represents the name of the property which is responsible for searching disconnected ratoms in the molecule
        Since:
        5.7
        See Also:
        Constant Field Values
      • PROPERTY_KEY_SEARCH_GENERIC

        public static final String PROPERTY_KEY_SEARCH_GENERIC
        This constant String represents the name of the property which is responsible for searching generic ratoms in the molecule
        Since:
        5.7
        See Also:
        Constant Field Values
      • PROPERTY_KEY_SEARCH_LINKER

        public static final String PROPERTY_KEY_SEARCH_LINKER
        This private constant String represents the name of the property which is responsible for searching linker ratoms in the molecule
        Since:
        5.7
        See Also:
        Constant Field Values
      • PROPERTY_KEY_SEARCH_NESTED

        public static final String PROPERTY_KEY_SEARCH_NESTED
        This private constant String represents the name of the property which is responsible for searching nested ratoms in the molecule
        Since:
        5.7
        See Also:
        Constant Field Values
    • Constructor Detail

      • RatomChecker

        public RatomChecker()
        Creates a new anyChecker instance detecting all R-atoms.
      • RatomChecker

        public RatomChecker​(Map<String,​String> params)
        Creates a new anyChecker instance reading checking options from the params argument.
        Parameters:
        params - a Map instance which contains String pairs. Key is the name of the parameter.
    • Method Detail

      • isSearchAll

        public boolean isSearchAll()
        Gets the option determining if the checker detects all R-atoms or not.
        Returns:
        true if all R-atoms are detected
      • isSearchDisconnected

        public boolean isSearchDisconnected()
        Gets the option determining if the checker detects R-atoms not connected to any other atoms or not.
        Returns:
        true if the nested R-atoms are detected
      • isSearchGeneric

        public boolean isSearchGeneric()
        Gets the option determining if the checker detects R-atoms without identifier numbers or not.
        Returns:
        true if the generic R-atoms are detected
      • isSearchLinker

        public boolean isSearchLinker()
        Gets the option determining if the checker detects R-atoms with more than one connection or not.
        Returns:
        true if the linker R-atoms are detected
      • isSearchNested

        public boolean isSearchNested()
        Gets the option determining if the checker detects R-atoms within R-groups or not.
        Returns:
        true if the nested R-atoms are detected
      • setSearchAll

        public void setSearchAll​(boolean value)
        Sets the option determining if the checker detects all R-atoms or not.
        Parameters:
        value - if true, all R-atoms are detected
      • setSearchDisconnected

        public void setSearchDisconnected​(boolean value)
        Sets the option determining if the checker detects R-atoms not connected to any other atoms or not.
        Parameters:
        value - if true, disconnected R-atoms are detected
      • setSearchGeneric

        public void setSearchGeneric​(boolean value)
        Sets the option determining if the checker detects R-atoms without identifier numbers or not.
        Parameters:
        value - if true, generic R-atoms are detected
      • setSearchLinker

        public void setSearchLinker​(boolean value)
        Sets the option determining if the checker detects R-atoms with more than one connection or not.
        Parameters:
        value - if true, linker R-atoms are detected
      • setSearchNested

        public void setSearchNested​(boolean value)
        Sets the option determining if the checker detects R-atoms within R-groups or not.
        Parameters:
        value - if true, nested R-atoms are detected