org.openscience.cdk.smsd.algorithm.mcsplus

Class ExactMapping

java.lang.Object

org.openscience.cdk.smsd.algorithm.mcsplus.ExactMapping

Deprecated.

SMSD has been deprecated from the CDK with a newer, more recent version of SMSD is available at http://github.com/asad/smsd.

@Deprecated
public class ExactMapping
extends Object

This class handles MCS between two identical molecules. Hence they generate am MCS where all atoms are mapped.

Author:

Syed Asad Rahman <asad@ebi.ac.uk>

Source code:

master

Belongs to CDK module:

smsd

Constructor Summary

Constructors

Constructor and Description
ExactMapping() Deprecated.

Method Summary

Modifier and Type	Method and Description
static List<List<Integer>>	extractMapping(List<List<Integer>> mappings, List<Integer> compGraphNodes, List<Integer> cliqueListOrg) Deprecated.

Methods inherited from class java.lang.Object

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

Constructor Detail

ExactMapping

public ExactMapping()

Deprecated.

Method Detail

extractMapping

public static List<List<Integer>> extractMapping(List<List<Integer>> mappings,
                                                 List<Integer> compGraphNodes,
                                                 List<Integer> cliqueListOrg)

Deprecated.

Parameters:

mappings -

compGraphNodes -

cliqueListOrg -

Returns:

mappings