example

[euhruska]

in vampnet/examples/Alanine_dipeptide.ipynb I think load has to be replaced with fetch

traj_whole, dihedral = vamp_data_generator.get_alanine_data()
---------------------------------------------------------------------------
NotImplementedError                       Traceback (most recent call last)
<ipython-input-5-75612c26cdc4> in <module>()
----> 1 traj_whole, dihedral = vamp_data_generator.get_alanine_data()
      2 
      3 traj_data_points, input_size = traj_whole.shape

xxx/lib/python3.6/site-packages/vampnet-0.1.4.dev2+gf2c6dd8.d20180829-py3.6.egg/vampnet/data_generator.py in get_alanine_data(input_type, return_dihedrals, number_files)
    183     elif input_type == 'coordinates':
    184 
--> 185         local_filename = mdshare.load('alanine-dipeptide-3x250ns-heavy-atom-positions.npz')
    186 
    187         traj_whole = np.load(local_filename)['arr_0']

xxx/lib/python3.6/site-packages/mdshare/__init__.py in load(*args, **kwargs)
     51 
     52 def load(*args, **kwargs):
---> 53     raise NotImplementedError('use fetch')

NotImplementedError: use fetch