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# -*- Mode: python; tab-width: 4; indent-tabs-mode:nil; coding:utf-8 -*- | ||
# vim: tabstop=4 expandtab shiftwidth=4 softtabstop=4 fileencoding=utf-8 | ||
# | ||
# MDAnalysis --- https://www.mdanalysis.org | ||
# Copyright (c) 2006-2017 The MDAnalysis Development Team and contributors | ||
# (see the file AUTHORS for the full list of names) | ||
# | ||
# Released under the GNU Public Licence, v2 or any higher version | ||
# | ||
# Please cite your use of MDAnalysis in published work: | ||
# | ||
# R. J. Gowers, M. Linke, J. Barnoud, T. J. E. Reddy, M. N. Melo, S. L. Seyler, | ||
# D. L. Dotson, J. Domanski, S. Buchoux, I. M. Kenney, and O. Beckstein. | ||
# MDAnalysis: A Python package for the rapid analysis of molecular dynamics | ||
# simulations. In S. Benthall and S. Rostrup editors, Proceedings of the 15th | ||
# Python in Science Conference, pages 102-109, Austin, TX, 2016. SciPy. | ||
# doi: 10.25080/majora-629e541a-00e | ||
# | ||
# N. Michaud-Agrawal, E. J. Denning, T. B. Woolf, and O. Beckstein. | ||
# MDAnalysis: A Toolkit for the Analysis of Molecular Dynamics Simulations. | ||
# J. Comput. Chem. 32 (2011), 2319--2327, doi:10.1002/jcc.21787 | ||
# | ||
import pytest | ||
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from MDAnalysisTests.datafiles import (PSF, DCD) | ||
from MDAnalysis.analysis.accesibility import SASA | ||
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class TestSASA(object): | ||
@pytest.fixture() | ||
def universe(): | ||
return mda.Universe(PSF, DCD) | ||
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def test_all_atoms(self, universe): | ||
sasa = SASA(universe) | ||
atoms = sasa.atoms() | ||
assert len(atoms) == len(universe.atoms) |