Hello
I am new to using the openbabel API and really exciting to use OB. I have an
> existing C++ program in MSVC2008. I really like a lot and enjoy compute
with this great API. But I have a look like small problem actually:
I try to convert automatically different molfiles to fs file, and need a sdf
file as intermediate for a staff.
Then, first, when I convert just one mol file to sdf with this code, no
problem:
*-----------------------
OBConversion conv;
conv.OpenInAndOutFiles("molfiles/1.mol","test.sdf");
conv.SetInAndOutFormats("mol","sdf");
conv.AddOption("gen3D",conv.GENOPTIONS);
conv.Convert();
conv.CloseOutFile();
------------------------*
And I try to use the wildcards * to check all the mol files on the molfiles
directory:
*-----------------------
OBConversion conv;
conv.OpenInAndOutFiles("molfiles/*.mol","test.sdf");
conv.SetInAndOutFormats("mol","sdf");
conv.AddOption("gen3D",conv.GENOPTIONS);
conv.Convert();
conv.CloseOutFile();
------------------------*
But it did not work on this naive way.
Is there an other way to specify the wildcard on the API? I can perhaps use
some vector of string code, but when I just make the simple test
conv.OpenInAndOutFiles("molfiles/1.mol" "molfiles/2.mol","test.sdf");
It did not work too.
Any help will be really appreciate
Marianne
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