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

java.lang.Object
  org.openscience.cdk.smsd.algorithm.mcsplus.ExactMapping

@TestClass(value="org.openscience.cdk.smsd.SMSDBondSensitiveTest")
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

Belongs to CDK module:

smsd

Source code:

HEAD

Constructor Summary

ExactMapping()

Method Summary

static List<List<Integer>>

extractMapping(List<List<Integer>> _mappings, List<Integer> comp_graph_nodes, List<Integer> clique_List_org)

Methods inherited from class java.lang.Object

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

Constructor Detail

ExactMapping

public ExactMapping()

Method Detail

extractMapping

public static List<List<Integer>> extractMapping(List<List<Integer>> _mappings,
                                                 List<Integer> comp_graph_nodes,
                                                 List<Integer> clique_List_org)

Parameters:

_mappings -

comp_graph_nodes -

clique_List_org -

Returns: