Class HanserRingFinder

java.lang.Object
org.openscience.cdk.smsd.ring.HanserRingFinder
All Implemented Interfaces:
RingFinder

@Deprecated public class HanserRingFinder extends Object implements RingFinder
Deprecated.
Use CDK AllRingsFinder. A more recent version of SMSD is available at http://github.com/asad/smsd.
Finds the Set of all Rings. This is an implementation of the algorithm published in [Hanser, Th. et. al.. J. Chem. Inf. Comput. Sci.. 1996. 36]. Some of the comments refer to pseudo code fragments listed in this article. The concept is that a regular molecular graph is first converted into a path graph (refer PathGraph.java), i.e. a graph where the edges are actually paths. This can list several nodes that are implicitly connecting the two nodes between the path is formed (refer PathEdge.java). The paths that join source and sink node are step by step fused and the joined nodes are deleted from the path graph (collapsed path). What remains is a graph of paths that have the same start and endpoint and are thus rings (source=sink=ring).
Author:
Syed Asad Rahman <asad@ebi.ac.uk> 2009-2010
Source code:
main
Belongs to CDK module:
smsd