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object --+ | ??.instance --+ | 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.
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Inherited from |
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__instance_size__ = 40
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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( (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::__cxx11::basic_string<char, std::char_traits<char>, std::allocator<char> >) |
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( (FPBReader)arg1, (int)arg2) -> str : returns the id of a particular fingerprint C++ signature : std::__cxx11::basic_string<char, std::char_traits<char>, std::allocator<char> > GetId(RDKit::FPBReader {lvalue},unsigned int) |
GetNumBits( (FPBReader)arg1) -> int : returns the number of bits in a fingerprint C++ signature : unsigned int GetNumBits(RDKit::FPBReader {lvalue}) |
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::__cxx11::basic_string<char, std::char_traits<char>, std::allocator<char> >) |
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::__cxx11::basic_string<char, std::char_traits<char>, std::allocator<char> > [,double=0.7]) |
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::__cxx11::basic_string<char, std::char_traits<char>, std::allocator<char> >,double,double) |
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::__cxx11::basic_string<char, std::char_traits<char>, std::allocator<char> >,double,double [,double=0.7]) |
Init( (FPBReader)arg1) -> None : Read the fingerprints from the file. This can take a while. C++ signature : void Init(RDKit::FPBReader {lvalue}) |
__getitem__( (FPBReader)arg1, (int)arg2) -> tuple : C++ signature : boost::python::tuple __getitem__(RDKit::FPBReader const*,unsigned int) |
__init__( (object)arg1, (str)filename [, (bool)lazy=False]) -> None : docstring C++ signature : void __init__(_object*,std::__cxx11::basic_string<char, std::char_traits<char>, std::allocator<char> > [,bool=False])
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__len__( (FPBReader)arg1) -> int : C++ signature : unsigned int __len__(RDKit::FPBReader {lvalue}) |
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