On Sat, Apr 16, 2011 at 7:38 PM, Noel O'Boyle <baoille...@gmail.com> wrote: > Looking at the unittest I can see why it fails. > > I changed the mol format writer so that it does not use wedge/hash > bond designations by default, but rather it calculates them itself > from Stereo objects. You can specify the "w" option to bring it back.
Do you know how to fix the unit test? I can't seem to find the right options for OBConversion::AddOption. Thanks, Tim > - Noel > > On 16 April 2011 18:30, Tim Vandermeersch <tim.vandermeer...@gmail.com> wrote: >> Hi, >> >> While working with Molsketch, I noticed the stereo bond flags are not >> written for many formats. I wrote a simple unit test for this and >> committed this. Until recently, this was working. I'll try to find the >> commit but if anyone has a clue please let me know. >> >> Thanks, >> Tim >> >> ------------------------------------------------------------------------------ >> Benefiting from Server Virtualization: Beyond Initial Workload >> Consolidation -- Increasing the use of server virtualization is a top >> priority.Virtualization can reduce costs, simplify management, and improve >> application availability and disaster protection. Learn more about boosting >> the value of server virtualization. http://p.sf.net/sfu/vmware-sfdev2dev >> _______________________________________________ >> OpenBabel-Devel mailing list >> OpenBabel-Devel@lists.sourceforge.net >> https://lists.sourceforge.net/lists/listinfo/openbabel-devel >> > ------------------------------------------------------------------------------ Benefiting from Server Virtualization: Beyond Initial Workload Consolidation -- Increasing the use of server virtualization is a top priority.Virtualization can reduce costs, simplify management, and improve application availability and disaster protection. Learn more about boosting the value of server virtualization. http://p.sf.net/sfu/vmware-sfdev2dev _______________________________________________ OpenBabel-Devel mailing list OpenBabel-Devel@lists.sourceforge.net https://lists.sourceforge.net/lists/listinfo/openbabel-devel
