On Apr 12, 2010, at 12:26 PM, Geoffrey Hutchison wrote: > # InChI=1S/2C5H5.2C5H.2Fe/c4*1-2-4-5-3-1;;/h2*1-5H;2*1H;;/q;;;;;+2 > # InChI=1S/4C5H5.2Fe/c4*1-2-4-5-3-1;;/h4*1-5H;;/q;;2*-1;;+2 ... > * Chris: what data files could mess up the test?
I should point out that the failures all seem to occur during alias parsing -- particularly formula parsing?! Ideas are *most* welcome. Cheers, -Geoff --- Prof. Geoffrey Hutchison Department of Chemistry University of Pittsburgh tel: (412) 648-0492 email: [email protected] web: http://hutchison.chem.pitt.edu/ ------------------------------------------------------------------------------ Download Intel® Parallel Studio Eval Try the new software tools for yourself. Speed compiling, find bugs proactively, and fine-tune applications for parallel performance. See why Intel Parallel Studio got high marks during beta. http://p.sf.net/sfu/intel-sw-dev _______________________________________________ OpenBabel-Devel mailing list [email protected] https://lists.sourceforge.net/lists/listinfo/openbabel-devel
