Interface IRGroup

  • All Known Implementing Classes:

    public interface IRGroup
    Represents a single substitute structure in an IRGroupList.

    The order of attachment points is provided (first and second only, conform RGFile spec). This order is relevant when the structure connects to the root with more than one bond.

    John Mayfield
    See Also:
    IRGroupList, IRGroup
    • Method Detail

      • getGroup

        IAtomContainer getGroup()
        Get the connection table of atoms/bonds for this Rgroup.
        the connection table
      • getFirstAttachmentPoint

        IAtom getFirstAttachmentPoint()
        Get the first attachment point of the RGroup.
        the first attachment point
      • getSecondAttachmentPoint

        IAtom getSecondAttachmentPoint()
        Get the optional second attachment point of the RGroup.
        the second attachment point or null.