SplitByName usage in python script

[krb0073]

Hey Everyone,
I had a quick question about the splitByName function from AtomicGroup. When playing around with the other splitBy* functions they all return vectors grouped by the desired subset. When I use splitByName, the only thing returned is a Swig Object. This happens no matter what selections give loos.selectAtoms() in python. I was wondering what the proper way is to use splitByName function?

Thanks for your help,
Kyle

[agrossfield]

Hi Kyle,

I'd actually forgotten AtomicGroup.splitByName() even exists -- oops! I just checked the docs (http://grossfieldlab.github.io/loos/classloos_1_1_atomic_group.html), and the return type of the other splitBy methods in c++ is a vector, which gets turned into a list of AtomicGroup's in our SWIG wrapper. The return type of splitByName is std::map< std::string, AtomicGroup > -- my guess is we forgot to include a manual entry in the swig file to copy from a c++ map to a python dictionary, which I guess would be the most logical thing.

I just opened Issue #68 to deal with it. I can't look at it right now, but I'll try to make sure either @tromo or I take a look this week.

Alan

[agrossfield]

I created a pull request (#69) that I think fixes the problem. We should merge it in the next day or so. Once that's done, you'll need to pull down the latest version of the main branch with git pull, then rebuild loos with scons PREFIX=$CONDA_PREFIX -j8 install. At that point, it should work.

One thing I should have asked before: what are you trying to do with it? Part of why it never got exported to swig before is that we usually just use selections to accomplish the same things

[agrossfield]

Pull request merged.