Re: [Open Babel] Help: everything compile well... But no results

[Tim Vandermeersch]

Hi,

On Mon, Jun 27, 2011 at 4:03 PM, Marianne <marianne.se...@epfl.ch> wrote:
> Hello
>
> I am new to using the openbabel API and really exciting to use OB. I have an
> existing C++ program in MSVC2008, I would like to use some of the functions
> in Openbabel (Isomorphism).
>
> I followed the instructions on the website and built the windows-vc2008 and
> then tried to add the sample code in C++  to make test of the results first:
>
> ------------------
> *#include &lt;openbabel/obconversion.h&gt;
> #include &lt;openbabel/mol.h&gt;
>
> using namespace std;
> using namespace OpenBabel;
>
> int _tmain(int argc,char **argv) {
>       // Read molecule from SMILES string
>
>       OBConversion conv;
>       OBMol mol;
>       conv.SetInFormat("smi");
>           conv.ReadString(&mol, "C(Cl)(=O)CCC(=O)Cl");
>
>
>
>       // Print out some general information
>
>           conv.SetOutFormat("can");
>       cout<<"Canonical SMILES:
> "<&lt;conv.WriteString(&amp;mol)&lt;&lt;endl;
>       cout&lt;&lt;&quot;The molecular weight is &quot;&lt;&lt;
> mol.GetMolWt();
>
>
>         return 0; // exit with success
>  }&lt;/b&gt;
> ---------------
>
> Everything compile fine but when I execute the code, I obtain

I don't see anything wrong with the code but you could try to check
the return values from some functions. OBConversion::SetInFormat,
OBConversion::SetOutFormat and OBConversion::ReadString all return
true on success. For example, if the format plugins are not found
SetInFormat will return false.

Tim

> ---------------
> *Canonical SMILES:
> The molecular weight is 0*
>
> ---------------
>
> I link this small program with
> 1) Include files:
> openbabel-2.3.0\windows-vc2008\build\include
> openbabel-2.3.0\windows-vc2008\include
> openbabel-2.3.0\include
>
> 2) Source file:
> openbabel-2.3.0\src
>
> 3) Lib file:
> openbabel-2.3.0\windows-vc2008\build\src\Release\openbabel-2.lib
>
>
> openbabel-2.dll is added  in the exe folder.
>
>
> Help will be really appreciate. Thank you
>
>
> Marianne
>
> --
> View this message in context: 
> http://forums.openbabel.org/Help-everything-compile-well-But-no-results-tp3627796p3627796.html
> Sent from the General discussion mailing list archive at Nabble.com.
>
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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
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