Re: [OpenBabel-Devel] Unresolved external: etab on MSVC 2010

2012-05-13 Thread Chris Morley
On 12/05/2012 21:05, David Lonie wrote: > On Wed, May 9, 2012 at 8:57 AM, Noel O'Boyle > wrote: > > On 9 May 2012 13:22, David Lonie > wrote: > > On Wed, May 9, 2012 at 7:42 AM, David Lonie > mailto:david.lo...@k

Re: [OpenBabel-Devel] Unresolved external: etab on MSVC 2010

2012-05-13 Thread David Lonie
On Sun, May 13, 2012 at 7:15 AM, Chris Morley wrote: > On 12/05/2012 21:05, David Lonie wrote: > >> On Wed, May 9, 2012 at 8:57 AM, Noel O'Boyle > > wrote: >> >>On 9 May 2012 13:22, David Lonie >> wrote: >> >>On Wed,

Re: [OpenBabel-Devel] Unresolved external: etab on MSVC 2010

2012-05-13 Thread Chris Morley
On 13/05/2012 13:16, David Lonie wrote: > On Sun, May 13, 2012 at 7:15 AM, Chris Morley > wrote: > > On 12/05/2012 21:05, David Lonie wrote: > > On Wed, May 9, 2012 at 8:57 AM, Noel O'Boyle > mailto:baoille...@gmail.com> >

[OpenBabel-Devel] Compiler warnings with gcc 4.6

2012-05-13 Thread My Th
Hi! Some time ago I posted patches silencing a bunch of compiler warnings (patch #3424383), but there have been no response on them. Now I have rebased them on top of the current trunk and attached to the same tracker issue. So is there an interest to fix all those warnings? Reinis -

Re: [OpenBabel-Devel] reactions and polymers in openbabel

2012-05-13 Thread Chris Morley
Igor It is my understanding that it is not necessary to provide an explicit destructor for OBReaction because the compiler will generate a one automatically. It will be virtual because the base class OBBase has an explicit virtual destructor. The test program below seems to work as expected fo

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

2012-05-13 Thread Craig James
Hi Noel, Thanks for the pointer to your blog post ... it explains the issue well. I'll address the topic here, but let me know if it would be better to post on your blog for completeness or on the OB list for wider distribution. My overall answer to this whole question is that it's always a mista