Package com.chemaxon.search.mcs.maxclique

Class MaxCliqueMcs

java.lang.Object

com.chemaxon.search.mcs.MaxCommonSubstructure

com.chemaxon.search.mcs.maxclique.MaxCliqueMcs

All Implemented Interfaces:

chemaxon.license.Licensable

@PublicApi
public final class MaxCliqueMcs
extends MaxCommonSubstructure

Implements a heuristic MCS algorithm based on maximum clique detection.

For more information and the public API, see the base class MaxCommonSubstructure.

Field Summary

Fields inherited from class com.chemaxon.search.mcs.MaxCommonSubstructure

DEFAULT_RANDOM_SEED, LOG, matcher, queryMol, randomSeed, searchMode, searchOpts, targetMol, timeLimit

Constructor Summary

Constructors

Constructor	Description
MaxCliqueMcs(McsSearchOptions searchOpts)	Creates a MaxCliqueMcs object with the specified search options.

Method Summary

Modifier and Type	Method	Description
protected McsSearchResult	findMcs()	Finds the MCS and all related data (fragments and mappings).

Methods inherited from class com.chemaxon.search.mcs.MaxCommonSubstructure

calculateSimilarityUpperBound, calculateUpperBound, find, getQuery, getRandomSeed, getSearchMode, getSearchOptions, getTarget, getTimeLimit, hasNextResult, isLicensed, newInstance, newInstance, nextResult, setLicenseEnvironment, setMolecules, setQuery, setRandomSeed, setSearchMode, setTarget, setTimeLimit

Methods inherited from class java.lang.Object

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

Constructor Details

MaxCliqueMcs

public MaxCliqueMcs(McsSearchOptions searchOpts)

Creates a MaxCliqueMcs object with the specified search options.

Parameters:

searchOpts - the search options.

Method Details

findMcs

protected McsSearchResult findMcs()

Description copied from class: MaxCommonSubstructure

Finds the MCS and all related data (fragments and mappings). Deriving classes must implement this method to calculate an (approximate) maximum common substructure after internal data structures are properly initialized.

For internal use only.

Specified by:

findMcs in class MaxCommonSubstructure