Re: [OpenBabel-Devel] windows build fails for qeq.cpp and qtie.cpp

2010-07-06 Thread Noel O'Boyle
I hope you can get this to work. I tried using boost::erf and got weird boost errors - presumably something I was doing wrong. On 5 July 2010 23:06, Tim Vandermeersch wrote: > Hi, > > While checking if the spectrophore code builds on windows I noticed > the charge methods (qeq and qtie) require t

[OpenBabel-Devel] Memory leak

2010-07-06 Thread Noel O'Boyle
Hi all, According to VLD, here's another OBConversion memory leak at line 776 in obconversion.cpp: pLineEndBuf = new LErdbuf(pInStream->rdbuf()); Maybe someone could take a look. - Noel -- This SF.net email is sponsored

Re: [OpenBabel-Devel] User docs

2010-07-06 Thread Konstantin Tokarev
> How about now? > http://baoilleach.webfactional.com/site_media/ob-docs/FileFormats/SVG_depiction.html Out of curiosity: can Sphinx documentation be localized, say using .po files? -- Regards, Konstantin -- This SF.n

Re: [OpenBabel-Devel] User docs

2010-07-06 Thread Noel O'Boyle
On 6 July 2010 14:00, Konstantin Tokarev wrote: > >>  How about now? >> http://baoilleach.webfactional.com/site_media/ob-docs/FileFormats/SVG_depiction.html > > Out of curiosity: can Sphinx documentation be localized, say using .po files? I don't know anything about this, but Google points to ht

[OpenBabel-Devel] Ring.cpp problem?

2010-07-06 Thread Noel O'Boyle
Hi Tim, I recently updated to latest trunk and I'm getting a segfault which seems to be due to some problem in ring.cpp (but I could be wrong). The segfault is triggered by GetParent() Line 606 in ring.cpp which does not return a valid molecule. I'd appreciate if you could look into it. Here's th

Re: [OpenBabel-Devel] Silicos: Spectrophores ported under OB

2010-07-06 Thread Geoffrey Hutchison
On Jul 6, 2010, at 12:26 AM, Andrew Dalke wrote: > It expect it will take about a decade to be a serious problem, but there's > no reason that new contributions can't using a "or any later version", > which would help reduce the severity of future problems. I have some general concerns about usi

Re: [OpenBabel-Devel] Silicos: Spectrophores ported under OB

2010-07-06 Thread Andrew Dalke
On Jul 6, 2010, at 11:58 AM, Geoffrey Hutchison wrote: > I have some general concerns about using GPLv2 "or later" with the Silicos > code right now, since it is currently covered by an expiring patent. I > suspect this would be an easy change once the patent expires next year. I see your point.