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 <openbabel/obconversion.h> #include <openbabel/mol.h> 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: "<<conv.WriteString(&mol)<<endl; cout<<"The molecular weight is "<< mol.GetMolWt(); return 0; // exit with success }</b> --------------- Everything compile fine but when I execute the code, I obtain --------------- *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. ------------------------------------------------------------------------------ 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-discuss mailing list OpenBabel-discuss@lists.sourceforge.net https://lists.sourceforge.net/lists/listinfo/openbabel-discuss