Class MaxCliqueMcs
java.lang.Object
com.chemaxon.search.mcs.MaxCommonSubstructure
com.chemaxon.search.mcs.maxclique.MaxCliqueMcs
- All Implemented Interfaces:
chemaxon.license.Licensable
Implements a heuristic MCS algorithm based on maximum clique detection.
For more information and the public API, see the base class MaxCommonSubstructure
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Field Summary
Fields inherited from class com.chemaxon.search.mcs.MaxCommonSubstructure
DEFAULT_RANDOM_SEED, LOG, queryMol, randomSeed, searchMode, searchOpts, targetMol, timeLimit
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Constructor Summary
ConstructorsConstructorDescriptionMaxCliqueMcs
(McsSearchOptions searchOpts) Creates aMaxCliqueMcs
object with the specified search options. -
Method Summary
Modifier and TypeMethodDescriptionprotected McsSearchResult
findMcs
(com.chemaxon.search.sss.Matcher matcher) Finds the MCS and all related data (components 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
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Constructor Details
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MaxCliqueMcs
Creates aMaxCliqueMcs
object with the specified search options.- Parameters:
searchOpts
- the search options.
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Method Details
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findMcs
Finds the MCS and all related data (components and mappings).- Specified by:
findMcs
in classMaxCommonSubstructure
- Parameters:
matcher
- the matcher object, which also contains the preprocessed query and target molecules
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