MaxCliqueMcs (Marvin API documentation (c) 1998-2024 Chemaxon Ltd.)

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