Re: [OpenBabel-Devel] Bug in OBCisTransStereo?

2012-05-20 Thread Craig James
On Sun, May 20, 2012 at 10:19 AM, Noel O'Boyle wrote: > Can you provide some small example code that triggers this? > I've been trying to find a simple example but haven't yet. I'll keep working on it. Craig > > - Noel > > On 16 May 2012 02:08, Craig James wrote: > >> This looks like a bug

Re: [OpenBabel-Devel] Bug in OBCisTransStereo?

2012-05-20 Thread Noel O'Boyle
Can you provide some small example code that triggers this? - Noel On 16 May 2012 02:08, Craig James wrote: > This looks like a bug but I wanted to post it here before adding it to the > bug database. It's using some memory after freeing it. > > This is output from valgrind. The first stack t

Re: [OpenBabel-Devel] Bad bug? Cis/Trans in SMILES dropped in 2.3.x

2012-05-20 Thread Noel O'Boyle
On 16 May 2012 16:28, Craig James wrote: > On Mon, May 14, 2012 at 3:46 AM, Noel O'Boyle wrote: > >> See also this thread: >> http://www.mail-archive.com/blueobelisk-discuss@lists.sourceforge.net/msg00665.html >> >> where Greg Landrum dissuades me from including stereo in 0D Mol file. >> > >