Re: [OpenBabel-Devel] Strange behavior when finding forcefields (Python)

2015-04-15 Thread Noel O'Boyle
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 wrote: > Thanks! I'll try as soon as I have a minute. > In the meantime, wouldn't be simpler to add this

Re: [OpenBabel-Devel] Strange behavior when finding forcefields (Python)

2015-04-15 Thread Stefano Forli
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://

Re: [OpenBabel-Devel] Strange behavior when finding forcefields (Python)

2015-04-14 Thread Noel O'Boyle
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

Re: [OpenBabel-Devel] Strange behavior when finding forcefields (Python)

2015-04-14 Thread Stefano Forli
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

Re: [OpenBabel-Devel] Strange behavior when finding forcefields (Python)

2015-04-14 Thread Noel O'Boyle
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 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 mi