Package org.openscience.cdk.isomorphism.matchers

Interface IRGroup

All Known Implementing Classes:
RGroup
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.

Author:
John Mayfield
See Also:

  • Method Details

    • getGroup

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

    • getFirstAttachmentPoint

      IAtom getFirstAttachmentPoint()
      Get the first attachment point of the RGroup.
      Returns:
      the first attachment point

    • getSecondAttachmentPoint

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