Class MaxCliqueMcs
- java.lang.Object
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- com.chemaxon.search.mcs.MaxCommonSubstructure
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- com.chemaxon.search.mcs.maxclique.MaxCliqueMcs
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- 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
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Field Summary
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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
Constructors Constructor Description MaxCliqueMcs(McsSearchOptions searchOpts)
Creates aMaxCliqueMcs
object with the specified search options.
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Method Summary
All Methods Instance Methods Concrete Methods Modifier and Type Method Description protected 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 Detail
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MaxCliqueMcs
public MaxCliqueMcs(McsSearchOptions searchOpts)
Creates aMaxCliqueMcs
object with the specified search options.- Parameters:
searchOpts
- the search options.
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Method Detail
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findMcs
protected McsSearchResult findMcs(com.chemaxon.search.sss.Matcher matcher)
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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