Package rdkit :: Package DataStructs :: Module cDataStructs :: Class FPBReader
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Class FPBReader

 object --+    
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??.instance --+
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             FPBReader

A class for reading and searching 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]
 
GetBytes(...)
GetBytes( (FPBReader)arg1, (int)arg2) -> object : returns a particular fingerprint as bytes
 
GetContainingNeighbors(...)
GetContainingNeighbors( (FPBReader)arg1, (str)bv) -> tuple : returns indices of neighbors that contain this fingerprint (where all bits from this fingerprint are also set)
 
GetFP(...)
GetFP( (FPBReader)arg1, (int)arg2) -> ExplicitBitVect : returns a particular fingerprint as an ExplicitBitVect
 
GetId(...)
GetId( (FPBReader)arg1, (int)arg2) -> str : returns the id of a particular fingerprint
 
GetNumBits(...)
GetNumBits( (FPBReader)arg1) -> int : returns the number of bits in a fingerprint
 
GetTanimoto(...)
GetTanimoto( (FPBReader)arg1, (int)arg2, (str)arg3) -> float : return the tanimoto similarity of a particular fingerprint to the bytes provided
 
GetTanimotoNeighbors(...)
GetTanimotoNeighbors( (FPBReader)arg1, (str)bv [, (float)threshold=0.7]) -> tuple : returns tanimoto similarities to and indices of all neighbors above the specified threshold
 
GetTversky(...)
GetTversky( (FPBReader)arg1, (int)arg2, (str)arg3, (float)arg4, (float)arg5) -> float : return the Tverksy similarity of a particular fingerprint to the bytes provided
 
GetTverskyNeighbors(...)
GetTverskyNeighbors( (FPBReader)arg1, (str)bv, (float)ca, (float)cb [, (float)threshold=0.7]) -> tuple : returns Tversky similarities to and indices of all neighbors above the specified threshold
 
Init(...)
Init( (FPBReader)arg1) -> None : Read the fingerprints from the file.
 
__getitem__(...)
__getitem__( (FPBReader)arg1, (int)arg2) -> tuple :
 
__init__(...)
__init__( (object)arg1, (str)filename [, (bool)lazy=False]) -> None : docstring
 
__len__(...)
__len__( (FPBReader)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__ = 40
Properties [hide private]

Inherited from object: __class__

Method Details [hide private]

GetBytes(...)

 

GetBytes( (FPBReader)arg1, (int)arg2) -> object :
    returns a particular fingerprint as bytes

    C++ signature :
        boost::python::api::object GetBytes(RDKit::FPBReader const*,unsigned int)

GetContainingNeighbors(...)

 

GetContainingNeighbors( (FPBReader)arg1, (str)bv) -> 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::FPBReader const*,std::string)

GetFP(...)

 

GetFP( (FPBReader)arg1, (int)arg2) -> ExplicitBitVect :
    returns a particular fingerprint as an ExplicitBitVect

    C++ signature :
        boost::shared_ptr<ExplicitBitVect> GetFP(RDKit::FPBReader {lvalue},unsigned int)

GetId(...)

 

GetId( (FPBReader)arg1, (int)arg2) -> str :
    returns the id of a particular fingerprint

    C++ signature :
        std::string GetId(RDKit::FPBReader {lvalue},unsigned int)

GetNumBits(...)

 

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

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

GetTanimoto(...)

 

GetTanimoto( (FPBReader)arg1, (int)arg2, (str)arg3) -> float :
    return the tanimoto similarity of a particular fingerprint to the bytes provided

    C++ signature :
        double GetTanimoto(RDKit::FPBReader const*,unsigned int,std::string)

GetTanimotoNeighbors(...)

 

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

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

GetTversky(...)

 

GetTversky( (FPBReader)arg1, (int)arg2, (str)arg3, (float)arg4, (float)arg5) -> float :
    return the Tverksy similarity of a particular fingerprint to the bytes provided

    C++ signature :
        double GetTversky(RDKit::FPBReader const*,unsigned int,std::string,double,double)

GetTverskyNeighbors(...)

 

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

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

Init(...)

 

Init( (FPBReader)arg1) -> None :
    Read the fingerprints from the file. This can take a while.
    

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

__getitem__(...)
(Indexing operator)

 

__getitem__( (FPBReader)arg1, (int)arg2) -> tuple :

    C++ signature :
        boost::python::tuple __getitem__(RDKit::FPBReader const*,unsigned int)

__init__(...)
(Constructor)

 

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

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

Overrides: object.__init__

__len__(...)
(Length operator)

 

__len__( (FPBReader)arg1) -> int :

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

__reduce__(...)

 
helper for pickle

Overrides: object.__reduce__
(inherited documentation)