Interface Expandable

    • Field Detail

      • DEFAULT_OPTIONS

        static final int DEFAULT_OPTIONS
        Default expansion/contraction options.
        Since:
        Marvin 3.3
        See Also:
        Constant Field Values
      • MDL_EXPAND

        static final int MDL_EXPAND
        MDL like multiple group expansion flag. Coordinates of corresponding atoms in different expanded units are equal. Use this flag for MDL molfile export.
        See Also:
        Constant Field Values
      • LEAVE_COORDS_UNCHANGED

        static final int LEAVE_COORDS_UNCHANGED
        Coordinates are not calculated during expand or contract.
        Since:
        Marvin 6.2, 2013/09/25
        See Also:
        Constant Field Values
      • NONRECURSIVE_EXPAND

        static final int NONRECURSIVE_EXPAND
        Non recursive expansion of child groups.
        Since:
        Marvin 3.4, 04/22/2004
        See Also:
        Constant Field Values
      • FAST_COORDS

        static final int FAST_COORDS
        Fast coordinate calculation in expand.
        Since:
        Marvin 4.1, 01/12/2006
        See Also:
        Constant Field Values
      • COORDS_UPDATE

        @Deprecated
        static final int COORDS_UPDATE
        Deprecated.
        As of Marvin 6.2, no replacement.
        Not supported feature.
        Performs coordinate update during the unbinding of atoms. The atom which replaces the unbound atom will take the coordinates of the unbound atom in order preserve the stereo attributes of crossing bonds.
        Since:
        Marvin 5.3, 01/27/2010
        See Also:
        Constant Field Values
    • Method Detail

      • contract

        boolean contract​(int opts)
        Contracts the S-group.
        Parameters:
        opts - contraction options
        Returns:
        true if the operation was successful, false if the group cannot be contracted
        See Also:
        DEFAULT_OPTIONS, LEAVE_COORDS_UNCHANGED
      • expand

        boolean expand​(int opts)
        Expands the S-group.
        Parameters:
        opts - expansion options
        Returns:
        true if the operation was successful, false if the group cannot be expanded
        See Also:
        DEFAULT_OPTIONS, MDL_EXPAND, LEAVE_COORDS_UNCHANGED
      • isExpanded

        boolean isExpanded()
        Is this S-group expanded?
        Returns:
        true if expanded, false if not