org.openscience.cdk.ringsearch

Class FiguerasSSSRFinder

java.lang.Object

org.openscience.cdk.ringsearch.FiguerasSSSRFinder

Deprecated.

Use SSSRFinder instead (exact algorithm).

public class FiguerasSSSRFinder
extends Object

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).

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:

master

Belongs to CDK module:

extra

Keywords:

smallest-set-of-rings, ring search

Constructor Summary

Constructors

Constructor and Description
FiguerasSSSRFinder() Deprecated.

Method Summary

Modifier and Type	Method and Description
IRingSet	findSSSR(IAtomContainer mol) Deprecated. Finds the Smallest Set of Smallest Rings.

Methods inherited from class java.lang.Object

clone, equals, finalize, getClass, hashCode, notify, notifyAll, toString, wait, wait, wait

Constructor Detail

FiguerasSSSRFinder

public FiguerasSSSRFinder()

Deprecated.

Method Detail

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