Package rdkit :: Package SimDivFilters :: Module rdSimDivPickers :: Class HierarchicalClusterPicker

class HierarchicalClusterPicker

 object --+    
          |    
??.instance --+
              |
             HierarchicalClusterPicker

A class for diversity picking of items using Hierarchical Clustering

Instance Methods

[hide private]

Cluster(...)
Cluster( (HierarchicalClusterPicker)arg1, (AtomPairsParameters)arg2, (int)arg3, (int)arg4) -> _vectSt6vectorIiSaIiEE : Return a list of clusters of item from the pool using hierachical clustering

Pick(...)
Pick( (HierarchicalClusterPicker)arg1, (AtomPairsParameters)arg2, (int)arg3, (int)arg4) -> _vecti : Pick a diverse subset of items from a pool of items using hierarchical clustering

__init__(...)
__init__( (object)arg1, (ClusterMethod)clusterMethod) -> None :

__reduce__(...)

Inherited from unreachable.instance: __new__

Class Variables

[hide private]

__instance_size__ = 32

Method Details

[hide private]

Cluster(...)


Cluster( (HierarchicalClusterPicker)arg1, (AtomPairsParameters)arg2, (int)arg3, (int)arg4) -> _vectSt6vectorIiSaIiEE :
    Return a list of clusters of item from the pool using hierachical clustering
    
    ARGUMENTS: 
      - distMat: 1D distance matrix (only the lower triangle elements)
      - poolSize: number of items in the pool
      - pickSize: number of items to pick from the pool
    

    C++ signature :
        std::vector<std::vector<int, std::allocator<int> >, std::allocator<std::vector<int, std::allocator<int> > > > Cluster(RDPickers::HierarchicalClusterPicker*,boost::python::api::object {lvalue},int,int)

Pick(...)


Pick( (HierarchicalClusterPicker)arg1, (AtomPairsParameters)arg2, (int)arg3, (int)arg4) -> _vecti :
    Pick a diverse subset of items from a pool of items using hierarchical clustering
    
    ARGUMENTS: 
      - distMat: 1D distance matrix (only the lower triangle elements)
      - poolSize: number of items in the pool
      - pickSize: number of items to pick from the pool
    

    C++ signature :
        std::vector<int, std::allocator<int> > Pick(RDPickers::HierarchicalClusterPicker*,boost::python::api::object {lvalue},int,int)

init(...)
(Constructor)


__init__( (object)arg1, (ClusterMethod)clusterMethod) -> None :

    C++ signature :
        void __init__(_object*,RDPickers::HierarchicalClusterPicker::ClusterMethod)

Overrides: object.__init__

reduce(...)

Overrides: object.__reduce__: (inherited documentation)

class HierarchicalClusterPicker

Cluster(...)

Pick(...)

__init__(...) (Constructor)

__reduce__(...)

init(...)
(Constructor)

reduce(...)