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object --+ | ??.instance --+ | ForwardSDMolSupplier
A class which supplies molecules from file-like object containing SD data. Usage examples: 1) Lazy evaluation: the molecules are not constructed until we ask for them: >>> suppl = ForwardSDMolSupplier(file('in.sdf')) >>> for mol in suppl: ... if mol is not None: mol.GetNumAtoms() 2) we can also read from compressed files: >>> import gzip >>> suppl = ForwardSDMolSupplier(gzip.open('in.sdf.gz')) >>> for mol in suppl: ... if mol is not None: print mol.GetNumAtoms() Properties in the SD file are used to set properties on each molecule. The properties are accessible using the mol.GetProp(propName) method.
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Inherited from Inherited from |
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Inherited from |
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__init__( (object)arg1, (AtomPairsParameters)fileobj [, (bool)sanitize=True [, (bool)removeHs=True [, (bool)strictParsing=True]]]) -> None : C++ signature : void __init__(_object*,boost::python::api::object {lvalue} [,bool=True [,bool=True [,bool=True]]]) __init__( (object)arg1, (streambuf)streambuf [, (bool)sanitize=True [, (bool)removeHs=True [, (bool)strictParsing=True]]]) -> None : C++ signature : void __init__(_object*,boost_adaptbx::python::streambuf {lvalue} [,bool=True [,bool=True [,bool=True]]]) __init__( (object)arg1, (str)filename [, (bool)sanitize=True [, (bool)removeHs=True [, (bool)strictParsing=True]]]) -> None : C++ signature : void __init__(_object*,std::__cxx11::basic_string<char, std::char_traits<char>, std::allocator<char> > [,bool=True [,bool=True [,bool=True]]])
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__iter__( (ForwardSDMolSupplier)arg1) -> ForwardSDMolSupplier : C++ signature : (anonymous namespace)::LocalForwardSDMolSupplier* __iter__((anonymous namespace)::LocalForwardSDMolSupplier*) |
helper for pickle
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atEnd( (ForwardSDMolSupplier)arg1) -> bool : Returns whether or not we have hit EOF. C++ signature : bool atEnd((anonymous namespace)::LocalForwardSDMolSupplier {lvalue}) |
next( (ForwardSDMolSupplier)arg1) -> Mol : Returns the next molecule in the file. Raises _StopIteration_ on EOF. C++ signature : RDKit::ROMol* next((anonymous namespace)::LocalForwardSDMolSupplier*) |
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