rdkit.Chem.rdmolfiles.ForwardSDMolSupplier

Package rdkit :: Package Chem :: Module rdmolfiles :: Class ForwardSDMolSupplier |
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# Class ForwardSDMolSupplier

     object --+
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    ??.instance --+
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                 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__(...) helper for pickle |
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__` 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]

### __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__(...) |
    helper for pickle
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*)