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
 



--
View this message in context: 
http://forums.openbabel.org/Multiple-input-files-and-API-tp3634074p3634074.html
Sent from the openbabel-devel mailing list archive at Nabble.com.

------------------------------------------------------------------------------
All of the data generated in your IT infrastructure is seriously valuable.
Why? It contains a definitive record of application performance, security 
threats, fraudulent activity, and more. Splunk takes this data and makes 
sense of it. IT sense. And common sense.
http://p.sf.net/sfu/splunk-d2d-c2
_______________________________________________
OpenBabel-Devel mailing list
OpenBabel-Devel@lists.sourceforge.net
https://lists.sourceforge.net/lists/listinfo/openbabel-devel

Reply via email to