Hi! In fact this test produces inconsistent results.. if I run it multiple times, some of them it will pass, sometimes fail: AssertionError: u'I[CH][C]1CN1' != 'I/C=C\\1/CN1' or AssertionError: u'I/C=C\\1/CN1' != 'I/C=C/1\\CN1'
Reinis O , 2011-08-30 16:15 +0100, Noel O'Boyle rakstīja: > Hi Geoff, > > pytest_sym has been failing since r4538. The "Simplify rotation code" > in builder.cpp part of r4538 must not be quite right. The test case > is: > > obabel -:"I/C=C/1\NC1" -oxyz --gen3d | bin/obabel -ixyz -ocan > > Before r4538, it gives I/C=C\1/CN1; afterwards, it gives I[CH][C]1CN1. > It's not the length of the double-bond that has changed; rather the > ring is not placed correctly. I'm attaching the xyz files for before > and after. > > - Noel > ------------------------------------------------------------------------------ > Special Offer -- Download ArcSight Logger for FREE! > Finally, a world-class log management solution at an even better > price-free! And you'll get a free "Love Thy Logs" t-shirt when you > download Logger. Secure your free ArcSight Logger TODAY! > http://p.sf.net/sfu/arcsisghtdev2dev > _______________________________________________ OpenBabel-Devel mailing list > OpenBabel-Devel@lists.sourceforge.net > https://lists.sourceforge.net/lists/listinfo/openbabel-devel ------------------------------------------------------------------------------ Special Offer -- Download ArcSight Logger for FREE! Finally, a world-class log management solution at an even better price-free! And you'll get a free "Love Thy Logs" t-shirt when you download Logger. Secure your free ArcSight Logger TODAY! http://p.sf.net/sfu/arcsisghtdev2dev _______________________________________________ OpenBabel-Devel mailing list OpenBabel-Devel@lists.sourceforge.net https://lists.sourceforge.net/lists/listinfo/openbabel-devel
