rdkit.Chem.rdChemReactions.EnumerateLibraryBase

Package rdkit :: Package Chem :: Module rdChemReactions :: Class EnumerateLibraryBase |
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# Class EnumerateLibraryBase

     object --+
              |
    ??.instance --+
                  |
                 EnumerateLibraryBase

Known Subclasses:
  - EnumerateLibrary

Instance Methods | [hide private]
GetEnumerator(...) GetEnumerator( (EnumerateLibraryBase)arg1) -> EnumerationStrategyBase : Returns the enumation strategy for the current library |
GetPosition(...) GetPosition( (EnumerateLibraryBase)arg1) -> VectSizeT : Returns the current enumeration position into the reagent vectors |
GetReaction(...) GetReaction( (EnumerateLibraryBase)arg1) -> ChemicalReaction : Returns the chemical reaction for this library |
GetState(...) GetState( (EnumerateLibraryBase)arg1) -> str : Returns the current enumeration state (position) of the library. |
InitFromString(...) InitFromString( (EnumerateLibraryBase)arg1, (str)data) -> None : Inititialize the library from a binary string |
ResetState(...) ResetState( (EnumerateLibraryBase)arg1) -> None : Returns the current enumeration state (position) of the library to the start. |
Serialize(...) Serialize( (EnumerateLibraryBase)arg1) -> object : Serialize the library to a binary string. |
SetState(...) SetState( (EnumerateLibraryBase)arg1, (str)state) -> None : Sets the enumeration state (position) of the library. |
__bool__(...) __bool__( (EnumerateLibraryBase)arg1) -> bool : |
__init__(...) Raises an exception... |
__iter__(...) __iter__( (AtomPairsParameters)arg1) -> object : |
__next__(...) __next__( (EnumerateLibraryBase)arg1) -> object : Return the next molecule from the enumeration. |
__nonzero__(...) __nonzero__( (EnumerateLibraryBase)arg1) -> bool : |
__reduce__(...) helper for pickle |
next(...) next( (EnumerateLibraryBase)arg1) -> object : Return the next molecule from the enumeration. |
nextSmiles(...) nextSmiles( (EnumerateLibraryBase)arg1) -> VectorOfStringVectors : Return the next smiles string from the enumeration. |
Inherited from `unreachable.instance`: `__new__` Inherited from `object`: `__delattr__`, `__format__`, `__getattribute__`, `__hash__`, `__reduce_ex__`, `__repr__`, `__setattr__`, `__sizeof__`, `__str__`, `__subclasshook__`

Properties | [hide private]
Inherited from `object`: `__class__`

Method Details | [hide private]

### GetEnumerator(...) |
    GetEnumerator( (EnumerateLibraryBase)arg1) -> EnumerationStrategyBase :
        Returns the enumation strategy for the current library

        C++ signature :
            RDKit::EnumerationStrategyBase GetEnumerator(RDKit::EnumerateLibraryBase {lvalue})

### GetPosition(...) |
    GetPosition( (EnumerateLibraryBase)arg1) -> VectSizeT :
        Returns the current enumeration position into the reagent vectors

        C++ signature :
            std::vector<unsigned long, std::allocator<unsigned long> > GetPosition(RDKit::EnumerateLibraryBase {lvalue})

### GetReaction(...) |
    GetReaction( (EnumerateLibraryBase)arg1) -> ChemicalReaction :
        Returns the chemical reaction for this library

        C++ signature :
            RDKit::ChemicalReaction GetReaction(RDKit::EnumerateLibraryBase {lvalue})

### GetState(...) |
    GetState( (EnumerateLibraryBase)arg1) -> str :
        Returns the current enumeration state (position) of the library.
        This position can be used to restart the library from a known position

        C++ signature :
            std::string GetState(RDKit::EnumerateLibraryBase {lvalue})

### InitFromString(...) |
    InitFromString( (EnumerateLibraryBase)arg1, (str)data) -> None :
        Inititialize the library from a binary string

        C++ signature :
            void InitFromString(RDKit::EnumerateLibraryBase {lvalue},std::string)

### ResetState(...) |
    ResetState( (EnumerateLibraryBase)arg1) -> None :
        Returns the current enumeration state (position) of the library to the start.

        C++ signature :
            void ResetState(RDKit::EnumerateLibraryBase {lvalue})

### Serialize(...) |
    Serialize( (EnumerateLibraryBase)arg1) -> object :
        Serialize the library to a binary string.
        Note that the position in the library is serialized as well.  Care should
        be taken when serializing.  See GetState/SetState for position manipulation.

        C++ signature :
            boost::python::api::object Serialize(RDKit::EnumerateLibraryBase)

### SetState(...) |
    SetState( (EnumerateLibraryBase)arg1, (str)state) -> None :
        Sets the enumeration state (position) of the library.

        C++ signature :
            void SetState(RDKit::EnumerateLibraryBase {lvalue},std::string)

### __bool__(...) |
    __bool__( (EnumerateLibraryBase)arg1) -> bool :

        C++ signature :
            bool __bool__(RDKit::EnumerateLibraryBase*)

### __init__(...) (Constructor) |
    Raises an exception
    This class cannot be instantiated from Python
Overrides: object.__init__

### __iter__(...) |
    __iter__( (AtomPairsParameters)arg1) -> object :

        C++ signature :
            boost::python::api::object __iter__(boost::python::api::object)

### __next__(...) |
    __next__( (EnumerateLibraryBase)arg1) -> object :
        Return the next molecule from the enumeration.

        C++ signature :
            _object* __next__(RDKit::EnumerateLibraryBase*)

### __nonzero__(...) (Boolean test operator) |
    __nonzero__( (EnumerateLibraryBase)arg1) -> bool :

        C++ signature :
            bool __nonzero__(RDKit::EnumerateLibraryBase*)

### __reduce__(...) |
    helper for pickle
Overrides: object.__reduce__ (inherited documentation)

### next(...) |
    next( (EnumerateLibraryBase)arg1) -> object :
        Return the next molecule from the enumeration.

        C++ signature :
            _object* next(RDKit::EnumerateLibraryBase*)

### nextSmiles(...) |
    nextSmiles( (EnumerateLibraryBase)arg1) -> VectorOfStringVectors :
        Return the next smiles string from the enumeration.

        C++ signature :
            std::vector<std::vector<std::string, std::allocator<std::string> >, std::allocator<std::vector<std::string, std::allocator<std::string> > > > nextSmiles(RDKit::EnumerateLibraryBase {lvalue})