rdkit.SimDivFilters.rdSimDivPickers.HierarchicalClusterPicker

Package rdkit :: Package SimDivFilters :: Module rdSimDivPickers :: Class HierarchicalClusterPicker |
[hide private]
[frames] | no frames]

# Class HierarchicalClusterPicker

     object --+
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    ??.instance --+
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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__`, `__getattribute__`, `__hash__`, `__reduce_ex__`, `__repr__`, `__setattr__`, `__str__`

Class Variables | [hide private]
| __instance_size__ = `16`

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)