Dear all,
I've used OpenBabel for a while now as part of some software I'm developing
during my PhD research. Today, I decided to update OB, and did so via SVN,
followed by a recompile. Everything went smoothly, but now OB refuses to read
in SMILES strings when called by my software, and I can't figure out why.
Here's the very brief code involved:
------------------------------------------------------------
stringstream ss(SMILES);
OpenBabel::OBConversion conv(&ss);
OpenBabel::OBMol mol;
if(conv.SetInFormat("smi"))
// ALSO TRIED:
// OpenBabel::OBFormat * inFormat =
conv.FormatFromMIME("chemical/x-daylight-smiles");
// if(conv.SetInFormat(inFormat))
{
if(conv.Read(&mol))
{
// do stuff
}
else
cout << "if( conv.Read(&mol)) => false " << endl;
}
else
cout << "if(conv.SetInFormat(\"smi\")) => false " << endl;
------------------------------------------------------------
This code compiles fine, but only ever spits out the "if (conv.Read(&mol)) =>
false" message when attempting to read SMILES. Does anyone have an idea why
this might be happening? It worked fine before updating.
With sincere thanks,
N David Brown
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