Package org.openscience.cdk.graph

Class EssentialCycles

java.lang.Object

org.openscience.cdk.graph.EssentialCycles

public final class EssentialCycles
extends Object

Determine the uniquely defined essential cycles of a graph. A cycle is essential if it a member of all minimum cycle bases. If a graph has a single minimum cycle basis (MCB) then all of its cycles are essential. Unlikely the RelevantCycles the number of essential cycles is always polynomial however may not be able generate the cycle space of a graph.

Author:

John May

See Also:

• RelevantCycles
• MinimumCycleBasis
• SSSRFinder.findEssentialRings()
• GraphUtil

Source code:

main

Belongs to CDK module:

core

Keywords:

essential rings, essential cycles, graph, cycles, rings

Constructor Summary

Constructors

Constructor	Description
EssentialCycles(int[][] graph)	Determine the essential cycles given a graph.

Method Summary

Modifier and Type	Method	Description
int[][]	paths()	The paths for each essential cycle.
int	size()	Number of essential cycles.

Methods inherited from class java.lang.Object

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

Constructor Details

EssentialCycles

public EssentialCycles(int[][] graph)

Determine the essential cycles given a graph. Adjacency list representation. For maximum performance the graph should be preprocessed and run on separate biconnected components or fused cycles (see. RingSearch.

Parameters:

graph - a molecule graph

See Also:

• GraphUtil.toAdjList(org.openscience.cdk.interfaces.IAtomContainer)
• RingSearch

Method Details

paths

public int[][] paths()

The paths for each essential cycle.

Returns:

array of vertex paths

size

public int size()

Number of essential cycles.

Returns:

number of cycles