gen3d has some random code in there. (Should be removed as it leads to debugging problems.)
Before r4532 does it sometimes fail? - Noel On 30 August 2011 16:31, My Th <rei4...@gmail.com> wrote: > 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
