Common components of clustering related APIs.
Please note that classes and interfaces in this package are marked with @Beta annotation, so they can be subject of incompatible changes or removal in later releases.
Interface Summary Interface Description Cluster<T>Cluster represents a group of structures. DissimilarityInputDissimilarityInput represents an input set for similarity based clustering algorithm. HierarchicCluster<T>Represents a group (cluster) of structures, possibly divided into further non overlapping clusters. HierarchicClustering<T,C extends HierarchicCluster<T>>A grouping of structures into disjunct hierarchical groups. IDBasedAssignerAssign levels to
IDBasedHierarchicClusterA Hierarchic cluster over integers, preferably IDs; having associated integral ClusterID. IDBasedHierarchicClusteringA Hierarchic clustering over integers, preferably IDs. IDBasedSingleLevelClusteringA
SingleLevelClusteringof clusters containing Integer IDs.
LevelAssigner<L,T extends HierarchicCluster<L>>Assigns levels for clusters and leaves. MolInputDissimilarity input implementation which can retrieve underlying Molecules. SingleLevelClustering<T,C extends Cluster<T>>A grouping of structures into disjunct groups.
Class Summary Class Description IDBasedAssignerBuilderAn ID based cluster level assigner builder. IDBasedClusterBuilderBuilder for ID based non-hierarchic clustering. IDBasedHierarchicClusterBuidlerBuilder for integer ID based hierarchic cluster building. MolInputBuilderConvenience class to compose input from molecules to a clustering algorithm. UnitPathAssignerAssigning unit distance based on path length from leaves/roots.
Enum Summary Enum Description HierarchicClustering.AlignmentLevel interpretation.