Does elasticity.predict_k_g actually work?

[materialsproject]

Does elasticity.predict_k_g actually work?

[dwinston]

I just tried this on a Linux system (matgen7.lbl.gov) with the same result:

mp-2340
Problem opening input file: /home/dwinston/kg_predict/env/lib/python2.7/site-packages/gbml-1.0-py2.7-linux-x86_64.egg/gbml/data/gbml-K-v1.00.data
---------------------------------------------------------------------------
SystemError                               Traceback (most recent call last)
<ipython-input-3-0bd4330d290c> in <module>()
----> 1 elasticity.predict_k_g('mp-2340')

/home/dwinston/kg_predict/env/lib/python2.7/site-packages/gbml-1.0-py2.7-linux-x86_64.egg/gbml/elasticity.pyc in predict_k_g(material_id)
    251         return (None, None, None)  # material_id not properly specified
    252
--> 253     (material_id_list, k_list, g_list, caveats_list) = predict_k_g_list([material_id])
    254
    255     if material_id_list is None:

/home/dwinston/kg_predict/env/lib/python2.7/site-packages/gbml-1.0-py2.7-linux-x86_64.egg/gbml/elasticity.pyc in predict_k_g_list(material_id_list)
    221         k_filename = os.path.join(os.path.dirname(__file__),DATAFILE_K)
    222         g_filename = os.path.join(os.path.dirname(__file__),DATAFILE_G)
--> 223         gbml.core.predict(k_filename, num_predictions, k_descriptors, k_predictions)
    224         gbml.core.predict(g_filename, num_predictions, g_descriptors, g_predictions)
    225

SystemError: error return without exception set

[dwinston]

So I see there are gbml-k-v0.9.data and gbml-g-v0.9.data files checked into the repo under gbml/data, but the current code requires e.g. gbml-K-v1.00.data (new version and uppercased). There might be other renaming issues that I'd rather not track down. @shreddd can you look over this / send to Randy so he can re-run his tests to get this all in a working state?

[rnotestine]

Sorry about the confusion. I should have only provided the latest version of each file, rather than dumping them all on shreddd to sort through. In any event, I believe I have straightened out the mismatches, so please try again.