@PublicAPI public final class MaxCliqueMcs extends MaxCommonSubstructure
For more information and the public API, see the base class MaxCommonSubstructure
.
DEFAULT_RANDOM_SEED, LOG, queryMol, randomSeed, searchMode, searchOpts, targetMol, timeLimit
Constructor and Description |
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MaxCliqueMcs(McsSearchOptions searchOpts)
Creates a
MaxCliqueMcs object with the specified search options. |
Modifier and Type | Method and Description |
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protected McsSearchResult |
findMcs(com.chemaxon.search.sss.Matcher matcher)
Finds the MCS and all related data (components and mappings).
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calculateSimilarityUpperBound, calculateUpperBound, find, getQuery, getRandomSeed, getSearchMode, getSearchOptions, getTarget, getTimeLimit, hasNextResult, isLicensed, newInstance, newInstance, nextResult, setLicenseEnvironment, setMolecules, setQuery, setRandomSeed, setSearchMode, setTarget, setTimeLimit
public MaxCliqueMcs(McsSearchOptions searchOpts)
MaxCliqueMcs
object with the specified search options.searchOpts
- the search options.protected McsSearchResult findMcs(com.chemaxon.search.sss.Matcher matcher)
findMcs
in class MaxCommonSubstructure
matcher
- the matcher object, which also contains the preprocessed query and target molecules