Clusterer (OpenChemLib 2021.2.0 API)

java.lang.Object
- com.actelion.research.calc.DataProcessor
- - com.actelion.research.chem.Clusterer<T>

public class Clusterer<T>
extends DataProcessor

Constructor Summary

Constructors
Constructor Description

Clusterer(DescriptorHandler<T,?> descriptorHandler, T[] descriptor)

Method Summary

All Methods Instance Methods Concrete Methods
Modifier and Type	Method	Description
`void`	`cluster(double similarityLimit, int clusterCountLimit)`	Defines the criteria for stopping the clustering.
`int`	`getClusterCount()`
`int`	`getClusterNo(int compound)`
`boolean`	`isRepresentative(int compound)`
`void`	`regenerateClusterNos()`	Renumber cluster numbers starting at 1 to eliminate unused numbers.

Methods inherited from class com.actelion.research.calc.DataProcessor
addProgressListener, removeProgressListener, setThreadMaster, setVerbose, startProgress, stopProgress, threadMustDie, updateProgress

Methods inherited from class java.lang.Object
clone, equals, finalize, getClass, hashCode, notify, notifyAll, toString, wait, wait, wait

- Constructor Detail
  - Clusterer
```
public Clusterer(DescriptorHandler<T,?> descriptorHandler,
                 T[] descriptor)
```
- Method Detail
  - cluster
```
public void cluster(double similarityLimit,
                    int clusterCountLimit)
```
    Defines the criteria for stopping the clustering. At least one of the two limits must be in the applicable valid range.
    
    Parameters:
    
    similarityLimit - >0...<=1.0 or 0.0 if not applied
    
    clusterCountLimit - >=2...objectCount or -1 if not applied
  - isRepresentative
```
public boolean isRepresentative(int compound)
```
  - getClusterNo
```
public int getClusterNo(int compound)
```
  - getClusterCount
```
public int getClusterCount()
```
  - regenerateClusterNos
```
public void regenerateClusterNos()
```
    Renumber cluster numbers starting at 1 to eliminate unused numbers.