Package org.openscience.cdk.ringsearch
Class FiguerasSSSRFinder
- java.lang.Object
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- org.openscience.cdk.ringsearch.FiguerasSSSRFinder
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public class FiguerasSSSRFinder extends Object
Deprecated.Use SSSRFinder instead (exact algorithm).Finds the Smallest Set of Smallest Rings. This is an implementation of the algorithm published in [Figueras, J.. J. Chem. Inf. Comput Sci.. 1996. 36]. This implementation is kept in the CDK for historic and educational reasons. The Figueras algorithm was shown not to find the SSSR in all cases and its use is therefore discouraged.The
SSSRFinder
is encouraged to be used, providing an exact algorithm for finding the SSSR.- Dictionary pointer(s):
- findSmallestSetOfSmallestRings_Figueras in the Blue Obelisk Chemoinformatics Dictionary [blue-obelisk:findSmallestSetOfSmallestRings_Figueras]
- Source code:
- main
- Belongs to CDK module:
- extra
- Keywords:
- smallest-set-of-rings, ring search
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Constructor Summary
Constructors Constructor Description FiguerasSSSRFinder()
Deprecated.
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Method Summary
All Methods Instance Methods Concrete Methods Deprecated Methods Modifier and Type Method Description IRingSet
findSSSR(IAtomContainer mol)
Deprecated.Finds the Smallest Set of Smallest Rings.
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Method Detail
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findSSSR
public IRingSet findSSSR(IAtomContainer mol)
Deprecated.Finds the Smallest Set of Smallest Rings.- Parameters:
mol
- the molecule to be searched for rings- Returns:
- a RingSet containing the rings in molecule
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