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.
- 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
