Interface IRGroup
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- All Known Implementing Classes:
RGroup
public interface IRGroup
Represents a single substitute structure in anIRGroupList
.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:
IRGroupList
,IRGroup
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Method Summary
All Methods Instance Methods Abstract Methods Modifier and Type Method Description IAtom
getFirstAttachmentPoint()
Get the first attachment point of the RGroup.IAtomContainer
getGroup()
Get the connection table of atoms/bonds for this Rgroup.IAtom
getSecondAttachmentPoint()
Get the optional second attachment point of the RGroup.
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Method Detail
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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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