rdkit.DataStructs.cDataStructs.FPBReader

Package rdkit :: Package DataStructs :: Module cDataStructs :: Class FPBReader |
[hide private]
[frames] | no frames]

# 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)