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[WIP]Pytest Style analysis/test_contacts.py #1545

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merged 2 commits into from Jul 26, 2017

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@utkbansal utkbansal commented Jul 23, 2017

Fixes #

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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

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@kain88-de

kain88-de Jul 24, 2017
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Parametrize

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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@kain88-de

kain88-de Jul 24, 2017
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Parametrize


from MDAnalysisTests import tempdir


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

kain88-de Jul 24, 2017
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Parametrize

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@utkbansal

utkbansal Jul 25, 2017
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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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@kain88-de

kain88-de Jul 25, 2017
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they can all use assert_almost_equal

@staticmethod
@pytest.fixture()
def trajectory(universe):
return universe.trajectory

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@kain88-de

kain88-de Jul 24, 2017
Member

No fixture needed

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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@kain88-de

kain88-de Jul 24, 2017
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This should rather be a fixture

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@utkbansal

utkbansal Jul 25, 2017
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Not sure how I'd pass it **kwargs then.

@kain88-de kain88-de merged commit ed3018a into MDAnalysis:develop Jul 26, 2017
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