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Autodesk / molecular-design-toolkit

Notebook-integrated tools for molecular simulation and visualization
http://moldesign.bionano.autodesk.com
Apache License 2.0
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RuntimeError in python 2 - instantiating EnergyModels #155

Closed avirshup closed 7 years ago

avirshup commented 7 years ago

h/t @loriab

Raises this error in Python 2.7, not 3.x

>>> mol = mdt.from_name('bipyridine')
Connecting to docker host at None... done
Job "opsin, bipyridine" launched. id:411304c323496c3b36d86ee1ddc9a8530878fb2e2e583b19fadce64c5bb29853
>>> mol.set_energy_model(mdt.models.RHF(basis='STO-3G'))
Traceback (most recent call last):
  File "<stdin>", line 1, in <module>
  File "moldesign/utils/callsigs.py", line 236, in f
    return self.mthd(obj, *args, **kwargs)
  File "moldesign/models/models.py", line 48, in __init__
    super().__init__(*args, **kwargs)
  File "/Users/loriab/linux/miniconda3/envs/moldesign_env/lib/python2.7/site-packages/future/builtins/newsuper.py", line 100, in newsuper
    raise RuntimeError('super() called outside a method')
RuntimeError: super() called outside a method

Appears to be PythonCharmers/python-future#267