rdkit.Chem.rdmolfiles.ForwardSDMolSupplier

class ForwardSDMolSupplier

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.

Instance Methods

[hide private]

__init__(...)
__init__( (object)arg1, (AtomPairsParameters)fileobj [, (bool)sanitize=True [, (bool)removeHs=True [, (bool)strictParsing=True]]]) -> None :

__iter__(...)
__iter__( (ForwardSDMolSupplier)arg1) -> ForwardSDMolSupplier :

__reduce__(...)

atEnd(...)
atEnd( (ForwardSDMolSupplier)arg1) -> bool : Returns whether or not we have hit EOF.

next(...)
next( (ForwardSDMolSupplier)arg1) -> Mol : Returns the next molecule in the file.

Inherited from unreachable.instance: __new__

init(...)
(Constructor)


__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]]])

Overrides: object.__init__

iter(...)


__iter__( (ForwardSDMolSupplier)arg1) -> ForwardSDMolSupplier :

    C++ signature :
        (anonymous namespace)::LocalForwardSDMolSupplier* __iter__((anonymous namespace)::LocalForwardSDMolSupplier*)

reduce(...)

Overrides: object.__reduce__: (inherited documentation)

atEnd(...)


atEnd( (ForwardSDMolSupplier)arg1) -> bool :
    Returns whether or not we have hit EOF.
    

    C++ signature :
        bool atEnd((anonymous namespace)::LocalForwardSDMolSupplier {lvalue})

next(...)


next( (ForwardSDMolSupplier)arg1) -> Mol :
    Returns the next molecule in the file.  Raises _StopIteration_ on EOF.
    

    C++ signature :
        RDKit::ROMol* next((anonymous namespace)::LocalForwardSDMolSupplier*)