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.
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
