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

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             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__(...)
helper for pickle

Inherited from unreachable.instance: __new__

Inherited from object: __delattr__, __format__, __getattribute__, __hash__, __reduce_ex__, __repr__, __setattr__, __sizeof__, __str__, __subclasshook__

Class Variables [hide private]
  __instance_size__ = 32
Properties [hide private]

Inherited from object: __class__

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__(...)

 
helper for pickle

Overrides: object.__reduce__
(inherited documentation)