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

 object --+    
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??.instance --+
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             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)