[WIP]Pytest Style analysis/test_contacts.py #1545
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kain88-de
requested changes
Jul 24, 2017
| assert contacts.hard_cut_q([2], 1) == 0 | ||
| assert contacts.hard_cut_q([2, 0.5], 1) == 0.5 | ||
| assert contacts.hard_cut_q([2, 3], [3, 4]) == 1 | ||
| assert contacts.hard_cut_q([4, 5], [3, 4]) == 0 |
| assert_equal(contacts.radius_cut_q([2], None, 1), 0) | ||
| assert_equal(contacts.radius_cut_q([2, 0.5], None, 1), 0.5) | ||
| assert contacts.radius_cut_q([1], None, 2) == 1 | ||
| assert contacts.radius_cut_q([2], None, 1) == 0 |
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| from MDAnalysisTests import tempdir | ||
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| def test_soft_cut_q(): | ||
| # just check some of the extremal points | ||
| assert_equal(contacts.soft_cut_q([0], [0]), .5) | ||
| assert contacts.soft_cut_q([0], [0]) == .5 | ||
| assert_almost_equal(contacts.soft_cut_q([100], [0]), 0) | ||
| assert_almost_equal(contacts.soft_cut_q([-100], [0]), 1) |
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@kain88-de Should I break this into two functions? One with assert and another with assert_almost_equal which would be parametrized?
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they can all use assert_almost_equal
| @staticmethod | ||
| @pytest.fixture() | ||
| def trajectory(universe): | ||
| return universe.trajectory |
| def _run_Contacts(self, **kwargs): | ||
| acidic = self.universe.select_atoms(self.sel_acidic) | ||
| basic = self.universe.select_atoms(self.sel_basic) | ||
| def _run_Contacts(self, universe, **kwargs): |
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This should rather be a fixture
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Not sure how I'd pass it **kwargs then.
kain88-de
approved these changes
Jul 26, 2017
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