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object --+
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??.instance --+
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EnumerateLibraryBase
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Inherited from Inherited from |
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GetEnumerator( (EnumerateLibraryBase)arg1) -> EnumerationStrategyBase :
Returns the enumation strategy for the current library
C++ signature :
RDKit::EnumerationStrategyBase GetEnumerator(RDKit::EnumerateLibraryBase {lvalue})
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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})
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GetReaction( (EnumerateLibraryBase)arg1) -> ChemicalReaction :
Returns the chemical reaction for this library
C++ signature :
RDKit::ChemicalReaction GetReaction(RDKit::EnumerateLibraryBase {lvalue})
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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})
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InitFromString( (EnumerateLibraryBase)arg1, (str)data) -> None :
Inititialize the library from a binary string
C++ signature :
void InitFromString(RDKit::EnumerateLibraryBase {lvalue},std::string)
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ResetState( (EnumerateLibraryBase)arg1) -> None :
Returns the current enumeration state (position) of the library to the start.
C++ signature :
void ResetState(RDKit::EnumerateLibraryBase {lvalue})
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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)
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SetState( (EnumerateLibraryBase)arg1, (str)state) -> None :
Sets the enumeration state (position) of the library.
C++ signature :
void SetState(RDKit::EnumerateLibraryBase {lvalue},std::string)
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__bool__( (EnumerateLibraryBase)arg1) -> bool :
C++ signature :
bool __bool__(RDKit::EnumerateLibraryBase*)
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Raises an exception This class cannot be instantiated from Python
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__iter__( (AtomPairsParameters)arg1) -> object :
C++ signature :
boost::python::api::object __iter__(boost::python::api::object)
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__next__( (EnumerateLibraryBase)arg1) -> object :
Return the next molecule from the enumeration.
C++ signature :
_object* __next__(RDKit::EnumerateLibraryBase*)
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__nonzero__( (EnumerateLibraryBase)arg1) -> bool :
C++ signature :
bool __nonzero__(RDKit::EnumerateLibraryBase*)
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helper for pickle
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next( (EnumerateLibraryBase)arg1) -> object :
Return the next molecule from the enumeration.
C++ signature :
_object* next(RDKit::EnumerateLibraryBase*)
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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})
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