This behaviour is in the underlying C++ library. It gets confusing if the Python (and other language) bindings don't mirror the same behaviour.
- Noel On 15 April 2015 at 20:07, Stefano Forli <fo...@scripps.edu> wrote: > Thanks! I'll try as soon as I have a minute. > In the meantime, wouldn't be simpler to add this line > > _obconv = ob.OBConversion() > > somewhere in openbabel.py and remove the need to mention this gotcha? > Best! > > S > > > On 04/14/2015 12:03 PM, Noel O'Boyle wrote: >> >> You can fork the docs on github: >> https://github.com/openbabel/documentation >> >> It would be SUPER AWESOME if you contributed. Some of the existing >> documentation was written by me trying to figure out what the software >> did. But now I know too much to remember what's it like for someone >> "newer" to Open Babel. >> >> Regards, >> - Noel >> >> On 14 April 2015 at 18:42, Stefano Forli <fo...@scripps.edu> wrote: >>> >>> Thanks for the reply! >>> >>> I've realized I've asked a lot of questions about several aspects of the >>> Python module in both Dev and Users list, that were related to details >>> not >>> much covered in the documentation. >>> I'm wondering if there's a way to contribute back and add all this >>> information somewhere >>> in the web pages. >>> >>> S >>> >>> >>> On 04/14/2015 03:14 AM, Noel O'Boyle wrote: >>>> >>>> >>>> It's true. To trigger plugin detection you need to make an >>>> obconversion object. This is a gotcha. Pybel does this on import. >>>> >>>> - Noel >>>> >>>> On 13 April 2015 at 23:12, Stefano Forli <fo...@scripps.edu> wrote: >>>>> >>>>> >>>>> Hi all, >>>>> I was debugging my Python code and I found a behavior that doesn't make >>>>> much >>>>> sense to me unless I'm missing something. >>>>> >>>>> Apparently, available forcefields are not found unless an OBConversion >>>>> instance is created. I've made up an example by borrowing some code >>>>> from >>>>> Pybel, see attached. >>>>> >>>>> In fact, I've noticed that Pybel does indeed create an instance of it >>>>> very >>>>> early, so I'm wondering if there's an underlying reason for that. >>>>> Thanks, >>>>> >>>>> S >>>>> >>>>> -- >>>>> Stefano Forli, PhD >>>>> >>>>> Staff Scientist >>>>> Molecular Graphics Laboratory >>>>> Dept. of Integrative Structural >>>>> and Computational Biology, MB-112F >>>>> The Scripps Research Institute >>>>> 10550 North Torrey Pines Road >>>>> La Jolla, CA 92037-1000, USA. >>>>> >>>>> tel: +1 (858)784-2055 >>>>> fax: +1 (858)784-2860 >>>>> email: fo...@scripps.edu >>>>> http://www.scripps.edu/~forli/ >>>>> >>>>> >>>>> >>>>> ------------------------------------------------------------------------------ >>>>> BPM Camp - Free Virtual Workshop May 6th at 10am PDT/1PM EDT >>>>> Develop your own process in accordance with the BPMN 2 standard >>>>> Learn Process modeling best practices with Bonita BPM through live >>>>> exercises >>>>> http://www.bonitasoft.com/be-part-of-it/events/bpm-camp-virtual- >>>>> event?utm_ >>>>> source=Sourceforge_BPM_Camp_5_6_15&utm_medium=email&utm_campaign=VA_SF >>>>> _______________________________________________ >>>>> OpenBabel-Devel mailing list >>>>> OpenBabel-Devel@lists.sourceforge.net >>>>> https://lists.sourceforge.net/lists/listinfo/openbabel-devel >>>>> >>> >>> -- >>> Stefano Forli, PhD >>> >>> Staff Scientist >>> Molecular Graphics Laboratory >>> Dept. of Integrative Structural >>> and Computational Biology, MB-112F >>> The Scripps Research Institute >>> 10550 North Torrey Pines Road >>> La Jolla, CA 92037-1000, USA. >>> >>> tel: +1 (858)784-2055 >>> fax: +1 (858)784-2860 >>> email: fo...@scripps.edu >>> http://www.scripps.edu/~forli/ > > > -- > Stefano Forli, PhD > > Staff Scientist > Molecular Graphics Laboratory > Dept. of Integrative Structural > and Computational Biology, MB-112F > The Scripps Research Institute > 10550 North Torrey Pines Road > La Jolla, CA 92037-1000, USA. > > tel: +1 (858)784-2055 > fax: +1 (858)784-2860 > email: fo...@scripps.edu > http://www.scripps.edu/~forli/ ------------------------------------------------------------------------------ BPM Camp - Free Virtual Workshop May 6th at 10am PDT/1PM EDT Develop your own process in accordance with the BPMN 2 standard Learn Process modeling best practices with Bonita BPM through live exercises http://www.bonitasoft.com/be-part-of-it/events/bpm-camp-virtual- event?utm_ source=Sourceforge_BPM_Camp_5_6_15&utm_medium=email&utm_campaign=VA_SF _______________________________________________ OpenBabel-Devel mailing list OpenBabel-Devel@lists.sourceforge.net https://lists.sourceforge.net/lists/listinfo/openbabel-devel
