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

 object --+    
          |    
??.instance --+
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             EnumerateLibraryBase
Known Subclasses:

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})