rdkit.DataStructs.cDataStructs.MultiFPBReader

Package rdkit :: Package DataStructs :: Module cDataStructs :: Class MultiFPBReader |
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[frames] | no frames]

# 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)