Yes - the test needs to be updated. I'll sort it out. On 13 September 2011 19:15, Geoffrey Hutchison <geo...@pitt.edu> wrote: > 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
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