Re: [Open Babel] SegFault while adding hydrogens (Python)

2015-04-29 Thread Noel O'Boyle
I would say that it's something no-one should ever do (but that everyone does at least once when learning!). The cost of protecting you against this would slow down Open Babel across the board. We welcome patches to the documentation. - Noel On 28 April 2015 at 22:50, Stefano Forli wrote: > Hi,

Re: [Open Babel] SegFault while adding hydrogens (Python)

2015-04-28 Thread Dimitri Maziuk
On 04/28/2015 05:53 PM, Stefano Forli wrote: > Modifying what you're iterating is a terrible practice most of the > times, and punishment is deserved. C++ iterators are pointers, modifying them is how it works. It's python that's horrible. ... Nevertheless that's valid Python > code, and the seg

Re: [Open Babel] SegFault while adding hydrogens (Python)

2015-04-28 Thread Stefano Forli
I totally agree with you, and it was silly from me to do it in the first place (in fact, I triggered the problem while cleaning up my code). Modifying what you're iterating is a terrible practice most of the times, and punishment is deserved. Nevertheless that's valid Python code, and the segm

Re: [Open Babel] SegFault while adding hydrogens (Python)

2015-04-28 Thread Dimitri Maziuk
On 04/28/2015 04:50 PM, Stefano Forli wrote: > Now, I understand that a segFault shouldn't happen, but I'm not sure > what would be the way to prevent it. Is this a bug or something that > nobody should ever do (and it should be added to the documentation)? It's something nobody should ever do: p

[Open Babel] SegFault while adding hydrogens (Python)

2015-04-28 Thread Stefano Forli
Hi, I found what looks like another gotcha in the Python implementation, so I'm reporting it because it could be useful to somebody else (also because I want to understand if there's something absolutely wrong about what I do). The following code will result in a segmentation fault when runnin