Skip to content
New issue

Have a question about this project? Sign up for a free GitHub account to open an issue and contact its maintainers and the community.

By clicking “Sign up for GitHub”, you agree to our terms of service and privacy statement. We’ll occasionally send you account related emails.

Already on GitHub? Sign in to your account

[WIP]Pytest Style analysis/test_align.py #1546

Merged
merged 4 commits into from Aug 3, 2017

Conversation

@utkbansal
Copy link
Member

@utkbansal utkbansal commented Jul 23, 2017

Fixes #

Changes made in this Pull Request:

PR Checklist

  • Tests?
  • Docs?
  • CHANGELOG updated?
  • Issue raised/referenced?
@kain88-de
Copy link
Member

@kain88-de kain88-de commented Jul 26, 2017

build fails

@kain88-de
Copy link
Member

@kain88-de kain88-de commented Jul 29, 2017

build still fails

@utkbansal utkbansal force-pushed the utkbansal:analysis-align branch from 0f3a5c0 to 3e557fc Jul 30, 2017
@utkbansal
Copy link
Member Author

@utkbansal utkbansal commented Jul 30, 2017

@kain88-de Build passed without changing anything.

assert_equal(rot, np.eye(3))
assert_equal(rmsd, None)
assert rmsd is None

This comment has been minimized.

@kain88-de

kain88-de Jul 30, 2017
Member

I have a feeling the first 3 tests can be parametrized.

This comment has been minimized.

@utkbansal

utkbansal Aug 1, 2017
Author Member

What do I name it?

This comment has been minimized.

@kain88-de

kain88-de Aug 3, 2017
Member

test_rotation_matrix_input?

This comment has been minimized.

@utkbansal

utkbansal Aug 3, 2017
Author Member

done.

err_msg="RMSD calculation between 1st and last "
"AdK frame gave wrong answer")
assert_almost_equal(rms.rmsd(last_frame, first_frame, superposition=True), rmsd, 6, err_msg="error: rmsd() is not symmetric")
assert_almost_equal(rmsd, 6.820321761927005, 5, err_msg="RMSD calculation between 1st and last AdK frame gave wrong answer")

This comment has been minimized.

@kain88-de

kain88-de Jul 30, 2017
Member

please avoid these super long lines. The pep8 standard is 80 chars

def test_rmsd_deprecated(self, universe, reference):
last_atoms_weight = universe.atoms.masses
A = universe.trajectory[0]
B = reference.trajectory[-1]
with warnings.catch_warnings(record=True) as warn:

This comment has been minimized.

@kain88-de

kain88-de Jul 30, 2017
Member

can use the warnings catcher from pytest pytest.warns

(a, b, w),
(a.astype(np.int), b.astype(np.int), w.astype(np.float32))
))
def test_rotation_matrix_input(self, a, b, weights): # TODO: Fix the name

This comment has been minimized.

@kain88-de

kain88-de Aug 3, 2017
Member

you left the fixme

@kain88-de kain88-de merged commit 858069f into MDAnalysis:develop Aug 3, 2017
1 check was pending
1 check was pending
continuous-integration/travis-ci/pr The Travis CI build is in progress
Details
Sign up for free to join this conversation on GitHub. Already have an account? Sign in to comment
Projects
None yet
Linked issues

Successfully merging this pull request may close these issues.

None yet

3 participants