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

MDAnalysisTests.analysis.test_encore.TestEncore. test_dres_without_superimposition fails randomly #2158

Closed
xiki-tempula opened this issue Dec 4, 2018 · 1 comment

Comments

@xiki-tempula
Copy link
Contributor

xiki-tempula commented Dec 4, 2018

test_dres_without_superimposition fails randomly as is seen in https://travis-ci.com/MDAnalysis/mdanalysis/jobs/162709617 from PR #2087 .

The error message goes as:

    def test_dres_without_superimposition(self, ens1, ens2):
        distance_matrix = encore.get_distance_matrix(
            encore.merge_universes([ens1, ens2]),
            superimpose=False)
        results, details = encore.dres([ens1, ens2],
                                       distance_matrix = distance_matrix)
        result_value = results[0,1]
        expected_value = 0.68
        assert_almost_equal(result_value, expected_value, decimal=1,
>                           err_msg="Unexpected value for Dim. reduction Ensemble Similarity: {0:f}. Expected {1:f}.".format(result_value, expected_value))
E       AssertionError: 
E       Arrays are not almost equal to 1 decimals
E       Unexpected value for Dim. reduction Ensemble Similarity: 0.606882. Expected 0.680000.
E        ACTUAL: 0.60688156691445183
E        DESIRED: 0.68
testsuite/MDAnalysisTests/analysis/test_encore.py:303: AssertionError
@xiki-tempula xiki-tempula changed the title MDAnalysisTests.analysis.test_encore.TestEncore.test_dres_convergence fails randomly MDAnalysisTests.analysis.test_encore.TestEncore. test_dres_without_superimposition fails randomly Dec 4, 2018
@orbeckst
Copy link
Member

orbeckst commented Dec 4, 2018

See #1933 for discussion.

Sign up for free to join this conversation on GitHub. Already have an account? Sign in to comment
Labels
None yet
Projects
None yet
Development

No branches or pull requests

2 participants