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
}*
---------------
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.I probably forget something important. Thank
you
Marianne
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