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:
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Method Summary
Modifier and TypeMethodDescriptionGet the first attachment point of the RGroup.getGroup()
Get the connection table of atoms/bonds for this Rgroup.Get the optional second attachment point of the RGroup.
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Method Details
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getGroup
IAtomContainer getGroup()Get the connection table of atoms/bonds for this Rgroup.- Returns:
- the connection table
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getFirstAttachmentPoint
IAtom getFirstAttachmentPoint()Get the first attachment point of the RGroup.- Returns:
- the first attachment point
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getSecondAttachmentPoint
IAtom getSecondAttachmentPoint()Get the optional second attachment point of the RGroup.- Returns:
- the second attachment point or null.
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