Package org.openscience.cdk.ringsearch
Class FiguerasSSSRFinder
java.lang.Object
org.openscience.cdk.ringsearch.FiguerasSSSRFinder
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 -
Method Summary
Modifier and TypeMethodDescriptionfindSSSR
(IAtomContainer mol) Deprecated.Finds the Smallest Set of Smallest Rings.
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Constructor Details
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FiguerasSSSRFinder
public FiguerasSSSRFinder()Deprecated.
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Method Details
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findSSSR
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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