com.chemaxon.clustering.framework

Class FrameworkClusteringResultsMolImpl

java.lang.Object

com.chemaxon.clustering.framework.FrameworkClusteringResultsMolImpl

All Implemented Interfaces:

FrameworkClusteringResults

@Beta
public class FrameworkClusteringResultsMolImpl
extends Object
implements FrameworkClusteringResults

Implementation of FrameworkClusteringResults. Framework storage is backed by a List of framework Molecule objects.

Constructor Summary

Constructors

Constructor and Description
FrameworkClusteringResultsMolImpl(IDBasedHierarchicClustering hierarchy, List<Molecule> frameworks) Construct.

Method Summary

Modifier and Type	Method and Description
Molecule	getFrameworkAsMolecule(int clusterIndex) Get framework as Molecule.
Function<Integer,Molecule>	getFrameworkAsMoleculeFunction() Delegate FrameworkClusteringResults.getFrameworkAsMolecule(int).
String	getFrameworkAsSmiles(int clusterIndex) Get framework as SMILES.
Function<Integer,String>	getFrameworkAsSmilesFunction() Delegate FrameworkClusteringResults.getFrameworkAsSmiles(int).
int	getFrameworksCount() Total represented frameworks.
IDBasedHierarchicClustering	getHierarchy() Get clustering hierarchy.

Methods inherited from class java.lang.Object

clone, equals, finalize, getClass, hashCode, notify, notifyAll, toString, wait, wait, wait

Constructor Detail

FrameworkClusteringResultsMolImpl

public FrameworkClusteringResultsMolImpl(IDBasedHierarchicClustering hierarchy,
                                         List<Molecule> frameworks)

Construct.

Parameters:

hierarchy - Clustering hierarchy

frameworks - Associated frameworks

Method Detail

getFrameworkAsSmiles

public String getFrameworkAsSmiles(int clusterIndex)

Description copied from interface: FrameworkClusteringResults

Get framework as SMILES.

Specified by:

getFrameworkAsSmiles in interface FrameworkClusteringResults

Parameters:

clusterIndex - Cluster index

Returns:

Framework as SMILES

getFrameworkAsMolecule

public Molecule getFrameworkAsMolecule(int clusterIndex)

Description copied from interface: FrameworkClusteringResults

Get framework as Molecule.

Specified by:

getFrameworkAsMolecule in interface FrameworkClusteringResults

Parameters:

clusterIndex - Cluster index

Returns:

Framework as Molecule object

getFrameworksCount

public int getFrameworksCount()

Description copied from interface: FrameworkClusteringResults

Total represented frameworks.

Specified by:

getFrameworksCount in interface FrameworkClusteringResults

Returns:

framworks count.

getHierarchy

public IDBasedHierarchicClustering getHierarchy()

Description copied from interface: FrameworkClusteringResults

Get clustering hierarchy. Cluster representants are set to an arbitrary structure from the cluster.

Specified by:

getHierarchy in interface FrameworkClusteringResults

Returns:

Clustering hierarchy

getFrameworkAsSmilesFunction

public Function<Integer,String> getFrameworkAsSmilesFunction()

Description copied from interface: FrameworkClusteringResults

Delegate FrameworkClusteringResults.getFrameworkAsSmiles(int).

Specified by:

getFrameworkAsSmilesFunction in interface FrameworkClusteringResults

Returns:

Function to retrieve frameworks for clusterIds as SMILES Strings.

getFrameworkAsMoleculeFunction

public Function<Integer,Molecule> getFrameworkAsMoleculeFunction()

Description copied from interface: FrameworkClusteringResults

Delegate FrameworkClusteringResults.getFrameworkAsMolecule(int).

Specified by:

getFrameworkAsMoleculeFunction in interface FrameworkClusteringResults

Returns:

Function to retrieve frameworks for clusterIds as Molecule objects..