Sorry - 4538. 2011/8/30 Noel O'Boyle <baoille...@gmail.com>: > 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 >> >> >> >
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