On Sat, Apr 16, 2011 at 7:55 PM, Tim Vandermeersch <tim.vandermeer...@gmail.com> wrote: > On Sat, Apr 16, 2011 at 7:50 PM, Tim Vandermeersch > <tim.vandermeer...@gmail.com> wrote: >> 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.
Never mind. I was working on some example files for the depiction code and I was drawing invalid stereo configurations. :( Thanks, Tim > Or could you point me to the relevant commit where you made the changes? > >> 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
