Package chemaxon.clustering.adapter

Class LegacyLibraryMcsAdapter

java.lang.Object
chemaxon.clustering.adapter.LegacyLibraryMcsAdapter
@SubjectToRemoval(date=JAN_01_2025) @Deprecated(forRemoval=true) @PublicApi @Beta public final class LegacyLibraryMcsAdapter extends Object
Deprecated, for removal: This API element is subject to removal in a future version.
This class has been renamed and moved to a new package, import and use it from its new location: LegacyLibraryMcsAdapter.
API adapter to use LibraryMcs clustering with the new clustering API.

Please note that this class is marked with the Beta annotation. This class might be changed or completely removed in any of the subsequent releases.

  • Method Details

    • defaultParameters

      public static LegacyLibraryMcsParameters defaultParameters()
      Deprecated, for removal: This API element is subject to removal in a future version.
      Create default clustering parameters.
      Returns:
      Default clustering parameters.

    • cluster

      public static FrameworkClusteringResults cluster(LegacyLibraryMcsParameters parameters, Iterator<Molecule> molecules)
      Deprecated, for removal: This API element is subject to removal in a future version.
      Launch clustering.
      Parameters:
      parameters - Parameters for the underlying LibraryMcs clustering
      molecules - Input molecules. Please note that the input molecules will be altered during clustering: they will be aromatized using MoleculeGraph.aromatize() and additional properties (structure index) will be stored.
      Returns:
      Clustering results. Please note that the retrieval of the original input structures is not a responsibility of the returned results object.