Skip to content

Commit

Permalink
add basic test
Browse files Browse the repository at this point in the history
  • Loading branch information
pegerto-ck committed Feb 18, 2023
1 parent ec9f398 commit 001ae79
Showing 1 changed file with 36 additions and 0 deletions.
36 changes: 36 additions & 0 deletions testsuite/MDAnalysisTests/analysis/test_accesibility.py
Original file line number Diff line number Diff line change
@@ -0,0 +1,36 @@
# -*- 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

from MDAnalysisTests.datafiles import (PSF, DCD)
from MDAnalysis.analysis.accesibility import SASA

class TestSASA(object):
@pytest.fixture()
def universe():
return mda.Universe(PSF, DCD)

def test_all_atoms(self, universe):
sasa = SASA(universe)
atoms = sasa.atoms()
assert len(atoms) == len(universe.atoms)

0 comments on commit 001ae79

Please sign in to comment.