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Sign up[Review Needed]Pytest Style analysis/test_waterdynamics.py #1571
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| SELECTION2, | ||
| 0, 5, 3) | ||
| hbl.run(verbose=False) | ||
| assert round(hbl.timeseries[2][1], 5) == 0.75 |
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utkbansal
Jul 30, 2017
Member
@jbarnoud I think it the exact equal works then we don't need to do almost equals!?
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jbarnoud
Jul 30, 2017
Contributor
It looks like the test tries to compare hbl.timeseries[2][1] to 0.75 but has precision issues. This is what assert_almost equal is for.
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| sp_zero.run(verbose=False) | ||
| assert_equal(sp_zero.timeseries[1], 0.0) | ||
| SELECTION1 = "byres name OH2" | ||
| SELECTION2 = SELECTION1 |
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jbarnoud
Jul 30, 2017
Contributor
I do not see a reason to have the SELECTION2 constant. SELECTION1 can be used instead just as well.
| msd_zero = MDAnalysis.analysis.waterdynamics.MeanSquareDisplacement( | ||
| universe, | ||
| SELECTION2, 0, 10, 2) | ||
| msd_zero.run(verbose=False) |
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kain88-de
Jul 30, 2017
Member
adding the verbose=False is not necessary. That already is the default.
richardjgowers
merged commit 081429a
into
MDAnalysis:develop
Aug 1, 2017
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utkbansal commentedJul 30, 2017
Fixes #
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