Package org.openscience.cdk.ringsearch

Class RingPartitioner

java.lang.Object

org.openscience.cdk.ringsearch.RingPartitioner

public class RingPartitioner
extends Object

Partitions a RingSet into RingSets of connected rings. Rings which share an Atom, a Bond or three or more atoms with at least on other ring in the RingSet are considered connected.

Source code:

main

Belongs to CDK module:

standard

Field Summary

Fields

Modifier and Type	Field	Description
static boolean	debug	Debugging on/off

Constructor Summary

Constructors

Constructor	Description
RingPartitioner()

Method Summary

Modifier and Type	Method	Description
static IAtomContainer	convertToAtomContainer(IRingSet ringSet)	Converts a RingSet to an AtomContainer.
static List<IRingSet>	partitionRings(IRingSet ringSet)	Partitions a RingSet into RingSets of connected rings.

Methods inherited from class java.lang.Object

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

Field Detail

debug

public static final boolean debug

Debugging on/off

See Also:

Constant Field Values

Constructor Detail

RingPartitioner

public RingPartitioner()

Method Detail

partitionRings

public static List<IRingSet> partitionRings(IRingSet ringSet)

Partitions a RingSet into RingSets of connected rings. Rings which share an Atom, a Bond or three or more atoms with at least on other ring in the RingSet are considered connected. Thus molecules such as azulene and indole will return a List with 1 element.

Note that an isolated ring is considered to be self-connect. As a result a molecule such as biphenyl will result in a 2-element List being returned (each element corresponding to a phenyl ring).

Parameters:

ringSet - The RingSet to be partitioned

Returns:

A List of connected RingSets

convertToAtomContainer

public static IAtomContainer convertToAtomContainer(IRingSet ringSet)

Converts a RingSet to an AtomContainer.

Parameters:

ringSet - The RingSet to be converted.

Returns:

The AtomContainer containing the bonds and atoms of the ringSet.