__init__(...)
(Constructor)
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__init__( (AtomPairsParameters)arg1, (AtomPairsParameters)fileObj [, (str)delimiter=' ' [, (str)nameHeader='Name' [, (bool)includeHeader=True [, (bool)isomericSmiles=False [, (bool)kekuleSmiles=False]]]]]) -> object :
C++ signature :
void* __init__(boost::python::api::object,boost::python::api::object {lvalue} [,std::__cxx11::basic_string<char, std::char_traits<char>, std::allocator<char> >=' ' [,std::__cxx11::basic_string<char, std::char_traits<char>, std::allocator<char> >='Name' [,bool=True [,bool=False [,bool=False]]]]])
__init__( (object)arg1, (str)fileName [, (str)delimiter=' ' [, (str)nameHeader='Name' [, (bool)includeHeader=True [, (bool)isomericSmiles=False [, (bool)kekuleSmiles=False]]]]]) -> None :
Constructor.
ARGUMENTS:
- fileName: name of the output file. ('-' to write to stdout)
- delimiter: (optional) delimiter to be used to separate entries on each line.
- nameHeader: (optional) text to use for the name column in the header line.
If this is blank, names will not be included in the output.
- includeHeader: (optional) toggles inclusion of a header line in the output file.
- isomericSmiles: (optional) toggles output of isomeric smiles (includes stereochem information).
- kekuleSmiles: (optional) toggles output of kekule smiles (no aromatic bonds for molecules that have been kekulized).
C++ signature :
void __init__(_object*,std::__cxx11::basic_string<char, std::char_traits<char>, std::allocator<char> > [,std::__cxx11::basic_string<char, std::char_traits<char>, std::allocator<char> >=' ' [,std::__cxx11::basic_string<char, std::char_traits<char>, std::allocator<char> >='Name' [,bool=True [,bool=False [,bool=False]]]]])
- Overrides:
object.__init__
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