Re: [Open Babel] Segfault when merging molecules through python API

2013-07-15 Thread Fred Ludlow
orkaround I'm already using, so I'll stick with that! Cheers, Fred > ____________ > From: Noel O'Boyle > To: Fred Ludlow > Cc: "openbabel-discuss@lists.sourceforge.net" > > Sent: Monday, July 8, 2013 2:04 PM > Subject: Re

Re: [Open Babel] Segfault when merging molecules through python API

2013-07-08 Thread S.L. Chan
Cc: "openbabel-discuss@lists.sourceforge.net" > >Sent: Monday, July 8, 2013 2:04 PM >Subject: Re: [Open Babel] Segfault when merging molecules through python API > > >I've reproduced this behaviour. As you say it's fairly subtle. In fact >I can't tell whether it

Re: [Open Babel] Segfault when merging molecules through python API

2013-07-08 Thread Noel O'Boyle
I've reproduced this behaviour. As you say it's fairly subtle. In fact I can't tell whether it's a bug at our end or a feature of swig in general. It appears that obmol += newmol replaces the underlying OBMol with a new one. You can see this by printing out the obmol (the address changes) in a non

[Open Babel] Segfault when merging molecules through python API

2013-07-03 Thread Fred Ludlow
Hi, I've come across a subtle bug (or misunderstanding on my part..?) when merging molecules from python... I've attached a minimal example that segfaults (tested on Red Hat Enterprise Linux, python 2.7, openbabel 2.3.1). Essentially, it seems that if I do something like mol1 += mol2 inside a fu