Hi Noel, I was looking through the Python test failure (testsym.py, Test interconversion between SMILES and 3D MDL).
The failing case seems to be this one: ([0, 0, 0, 0, 1], []), # 'Cl[C@@](Br)(F)I' ([0, 0, 0, 0, 2], []), # 'Cl[C@](Br)(F)I' ([0, 0, 0, 0, 3], [0, 0, 0, 4]), # 'ClC(Br)(F)I' It's that last 0,0,0,4 which fails. Isn't this going to fall under the "unknown stereo" case from this patch? http://openbabel.svn.sf.net/viewvc/openbabel?view=revision&revision=4552 So my question is whether the test results need to be updated for the unknown stereo case now. Thanks, -Geoff ------------------------------------------------------------------------------ BlackBerry® DevCon Americas, Oct. 18-20, San Francisco, CA Learn about the latest advances in developing for the BlackBerry® mobile platform with sessions, labs & more. See new tools and technologies. Register for BlackBerry® DevCon today! http://p.sf.net/sfu/rim-devcon-copy1 _______________________________________________ OpenBabel-Devel mailing list OpenBabel-Devel@lists.sourceforge.net https://lists.sourceforge.net/lists/listinfo/openbabel-devel
