See: Description
| Interface | Description |
|---|---|
| Cluster<T> |
Cluster represents a group of structures.
|
| DissimilarityInput |
DissimilarityInput 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.
|
| IDBasedAssigner |
Assign levels to
IDBasedHierarchicClustering. |
| IDBasedClusterBuilderSpec |
Allowing fluent API calls to
IDBasedHierarchicClusterBuidler. |
| IDBasedHierarchicCluster |
A Hierarchic cluster over integers, preferably IDs; having associated integral ClusterID.
|
| IDBasedHierarchicClustering |
A Hierarchic clustering over integers, preferably IDs.
|
| IDBasedSingleLevelClustering |
A
SingleLevelClustering of clusters containing Integer IDs. |
| LevelAssigner<L,T extends HierarchicCluster<L>> |
Assigns levels for clusters and leaves.
|
| MolInput |
Dissimilarity input implementation which can retrieve underlying Molecules.
|
| SingleLevelClustering<T,C extends Cluster<T>> |
A grouping of structures into disjunct groups.
|
| Class | Description |
|---|---|
| IDBasedAssignerBuilder |
An ID based cluster level assigner builder.
|
| IDBasedClusterBuilder |
Builder for ID based non-hierarchic clustering.
|
| IDBasedHierarchicClusterBuidler |
Builder for integer ID based hierarchic cluster building.
|
| MolInputBuilder |
Convenience class to compose input from molecules to a clustering algorithm.
|
| MolInputImpl<D extends Descriptor> |
Implementation using plain Descriptors API.
|
| UnitPathAssigner |
Assigning unit distance based on path length from leaves/roots.
|
| Enum | Description |
|---|---|
| HierarchicClustering.Alignment |
Level interpretation.
|
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.