jklustor-overlap-0.0.2-20140619012940 (ChemAxon)


com.chemaxon.overlap
Interface Similarity<D extends com.chemaxon.descriptors.common.Descriptor>

Type Parameters:
D - Underlying descriptor type TODO: implement blocking multithreaded entry point - add ExecutorService? TODO: dissimilarity histogram query

public interface Similarity<D extends com.chemaxon.descriptors.common.Descriptor>

Query interface for the similarity subsystem.

Note that this interface is not used currently.

A general contract of com.chemaxon.descriptors API regarding comparison is that only those descriptors can be compared which are generated using the same DescriptorGenerator instance. This contract applies to queries executed.

Author:
Gabor Imre

Method Summary
 SimilarityResultNode findMostSimilar(D query, com.chemaxon.calculations.common.SubProgressObserver po)
          Look up the most similar node.
 AsyncResult<SimilarityResultNode> findMostSimilar(D query, com.chemaxon.calculations.common.SubProgressObserver po, ExecutorService executors)
          Look up the most similar node.
 ImmutableList<SimilarityResultNode> findMostSimilars(D query, com.chemaxon.calculations.common.SubProgressObserver po, int maxCount)
          Look up the most similar nodes.
 AsyncResult<ImmutableList<SimilarityResultNode>> findMostSimilars(D query, com.chemaxon.calculations.common.SubProgressObserver po, int maxCount, ExecutorService executors)
          Look up the most similar nodes.
 

Method Detail

findMostSimilar

SimilarityResultNode findMostSimilar(D query,
                                     com.chemaxon.calculations.common.SubProgressObserver po)
Look up the most similar node.

Parameters:
query - Query descriptor
po - Observer to track progress
Returns:
The most similar node. If multiple nodes share the best dissimilarity, one of them is choosen arbitrarily.

findMostSimilars

ImmutableList<SimilarityResultNode> findMostSimilars(D query,
                                                     com.chemaxon.calculations.common.SubProgressObserver po,
                                                     int maxCount)
Look up the most similar nodes.

Parameters:
query - Query descriptor
po - Observer to track progress
maxCount - Max return count. If the underlying similarity space contains fewer structures then all of them will be returned.
Returns:
List of most similar nodes, in increasing similarity order.

findMostSimilar

AsyncResult<SimilarityResultNode> findMostSimilar(D query,
                                                  com.chemaxon.calculations.common.SubProgressObserver po,
                                                  ExecutorService executors)
Look up the most similar node.

Parameters:
query - Query descriptor
po - Observer to track progress
executors - Executors to use for executing the search. When MoreExecutors.sameThreadExecutor() is passed then the method will block until the final result is found.
Returns:
Wrapper for the most similar node. If multiple nodes share the best dissimilarity, one of them is choosen arbitrarily.

findMostSimilars

AsyncResult<ImmutableList<SimilarityResultNode>> findMostSimilars(D query,
                                                                  com.chemaxon.calculations.common.SubProgressObserver po,
                                                                  int maxCount,
                                                                  ExecutorService executors)
Look up the most similar nodes.

Parameters:
query - Query descriptor
po - Observer to track progress.
maxCount - Max return count. If the underlying similarity space contains fewer structures then all of them will be returned.
executors - Executors to use for executing the search. When MoreExecutors.sameThreadExecutor() is passed then the method will block until the final result is found.
Returns:
Wrapper for List of most similar nodes, in increasing similarity order.

jklustor-overlap-0.0.2-20140619012940 (ChemAxon)