Dear all,
same guy here trying to use the devel. lib of Openbabel for windows
(msys, mingw64),
thanks to Noel O'Boyle I managed to build the lib, and after that build
my program ...
only to see that I could not open a file using babel on windows,
openbabel systematically
fails on the conv.Read or conv.ReadFile instructions, and I have no clue
why ...
any idea to help me ?
Thanks in advance for your help, again ...
Best regards.
Sébastien
Here is my code:
-------------------------------------------------------------------------------------------------------------------------------
OBConversion conv;
std::string filename;
filename = this_file;
std::string fileformat;
fileformat = this_format;
std::ifstream ifs(filename.c_str());
if (! ifs)
{
// Error reading file
cout<<"Reading failed";
return 1;
}
OBFormat * format = conv.FormatFromExt(fileformat.c_str());
if(! conv.SetInFormat(format))
{
cout<<"Set In Format failed";
// Error with this format
return 2;
}
OBMol mol;
conv.AddOption("b", OBConversion::INOPTIONS);
if (! conv.Read(& mol, &ifs))
{
// Error reading molecule in file
cout<<"Reading molecule failed";
// It always return at this point ...
// Note that before I tried to open the file using "ReadFile (&mol,
filename.c_str()))"
// the result was the same.
return 3;
}
if (mol.HasData(OBGenericDataType::UnitCell))
{
OBUnitCell * uc = (OBUnitCell *)mol.GetData(OBGenericDataType::UnitCell);
if (strcmp(this_format, "cif") == 0) uc -> FillUnitCell (&mol);
}
-------------------------------------------------------------------------------------------------------------------------------
--
===========================================================
Dr. Sébastien Le Roux
Ingénieur de Recherche CNRS
Institut de Physique et Chimie des Matériaux de Strasbourg
Département des Matériaux Organiques
23, rue du Loess
BP 43
F-67034 Strasbourg Cedex 2, France
E-mail: sebastien.ler...@ipcms.unistra.fr
Webpage: http://www.ipcms.unistra.fr/?page_id=14965&lang=en
RINGS project: http://rings-code.sourceforge.net/
ISAACS project: http://isaacs.sourceforge.net/
Fax: +33 3 88 10 72 46
Phone: +33 3 88 10 71 58
===========================================================
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