Package rdkit :: Package DataStructs :: Module cDataStructs :: Class MultiFPBReader

Class MultiFPBReader

 object --+    
          |    
??.instance --+
              |
             MultiFPBReader

A class for reading and searching multiple FPB files from Andrew Dalke's chemfp.
Note that this functionality is still experimental and the API may
change in future releases.

Instance Methods

[hide private]

AddReader(...)
AddReader( (MultiFPBReader)arg1, (FPBReader)arg2) -> int : adds an FPBReader to our set of readers

GetContainingNeighbors(...)
GetContainingNeighbors( (MultiFPBReader)arg1, (str)bv [, (int)numThreads=1]) -> tuple : returns indices of neighbors that contain this fingerprint (where all bits from this fingerprint are also set)

GetNumBits(...)
GetNumBits( (MultiFPBReader)arg1) -> int : returns the number of bits in a fingerprint

GetReader(...)
GetReader( (MultiFPBReader)arg1, (int)arg2) -> FPBReader : returns one of our readers

GetTanimotoNeighbors(...)
GetTanimotoNeighbors( (MultiFPBReader)arg1, (str)bv [, (float)threshold=0.7 [, (int)numThreads=1]]) -> tuple : returns tanimoto similarities to and indices of all neighbors above the specified threshold

GetTverskyNeighbors(...)
GetTverskyNeighbors( (MultiFPBReader)arg1, (str)bv, (float)ca, (float)cb [, (float)threshold=0.7 [, (int)numThreads=1]]) -> tuple : returns Tversky similarities to and indices of all neighbors above the specified threshold

Init(...)
Init( (MultiFPBReader)arg1) -> None : Call Init() on each of our children.

__init__(...)
__init__( (object)arg1 [, (bool)initOnSearch=False]) -> None : docstring

__len__(...)
__len__( (MultiFPBReader)arg1) -> int :

__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__ = 48

Properties

[hide private]

Inherited from object: __class__

Method Details

[hide private]

AddReader(...)


AddReader( (MultiFPBReader)arg1, (FPBReader)arg2) -> int :
    adds an FPBReader to our set of readers

    C++ signature :
        unsigned int AddReader(RDKit::MultiFPBReader {lvalue},RDKit::FPBReader*)

GetContainingNeighbors(...)


GetContainingNeighbors( (MultiFPBReader)arg1, (str)bv [, (int)numThreads=1]) -> tuple :
    returns indices of neighbors that contain this fingerprint (where all bits from this fingerprint are also set)

    C++ signature :
        boost::python::tuple GetContainingNeighbors(RDKit::MultiFPBReader const*,std::string [,unsigned int=1])

GetNumBits(...)


GetNumBits( (MultiFPBReader)arg1) -> int :
    returns the number of bits in a fingerprint

    C++ signature :
        unsigned int GetNumBits(RDKit::MultiFPBReader {lvalue})

GetReader(...)


GetReader( (MultiFPBReader)arg1, (int)arg2) -> FPBReader :
    returns one of our readers

    C++ signature :
        RDKit::FPBReader* GetReader(RDKit::MultiFPBReader {lvalue},unsigned int)

GetTanimotoNeighbors(...)


GetTanimotoNeighbors( (MultiFPBReader)arg1, (str)bv [, (float)threshold=0.7 [, (int)numThreads=1]]) -> tuple :
    returns tanimoto similarities to and indices of all neighbors above the specified threshold

    C++ signature :
        boost::python::tuple GetTanimotoNeighbors(RDKit::MultiFPBReader const*,std::string [,double=0.7 [,unsigned int=1]])

GetTverskyNeighbors(...)


GetTverskyNeighbors( (MultiFPBReader)arg1, (str)bv, (float)ca, (float)cb [, (float)threshold=0.7 [, (int)numThreads=1]]) -> tuple :
    returns Tversky similarities to and indices of all neighbors above the specified threshold

    C++ signature :
        boost::python::tuple GetTverskyNeighbors(RDKit::MultiFPBReader const*,std::string,double,double [,double=0.7 [,unsigned int=1]])

Init(...)


Init( (MultiFPBReader)arg1) -> None :
    Call Init() on each of our children. This can take a while.
    

    C++ signature :
        void Init(RDKit::MultiFPBReader {lvalue})

init(...)
(Constructor)


__init__( (object)arg1 [, (bool)initOnSearch=False]) -> None :
    docstring

    C++ signature :
        void __init__(_object* [,bool=False])

Overrides: object.__init__

len(...)
(Length operator)


__len__( (MultiFPBReader)arg1) -> int :

    C++ signature :
        unsigned int __len__(RDKit::MultiFPBReader {lvalue})

reduce(...)

helper for pickle

Overrides: object.__reduce__: (inherited documentation)

Class MultiFPBReader

AddReader(...)

GetContainingNeighbors(...)

GetNumBits(...)

GetReader(...)

GetTanimotoNeighbors(...)

GetTverskyNeighbors(...)

Init(...)

__init__(...) (Constructor)

__len__(...) (Length operator)

__reduce__(...)

init(...)
(Constructor)

len(...)
(Length operator)

reduce(...)