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not use joblib when n_job=1
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yuxuanzhuang committed May 1, 2024
1 parent fd01a36 commit c75337c
Showing 1 changed file with 0 additions and 3 deletions.
3 changes: 0 additions & 3 deletions testsuite/MDAnalysisTests/analysis/test_encore.py
Original file line number Diff line number Diff line change
Expand Up @@ -138,7 +138,6 @@ def test_parallel_calculation(self):
arguments[i][0]**2,
err_msg="Unexpected results from ParallelCalculation")

@pytest.mark.skip(reason='test to see if it times out')
def test_rmsd_matrix_with_superimposition(self, ens1):
conf_dist_matrix = encore.confdistmatrix.conformational_distance_matrix(
ens1,
Expand All @@ -156,7 +155,6 @@ def test_rmsd_matrix_with_superimposition(self, ens1):
for i, rmsd in enumerate(reference.results.rmsd):
assert_allclose(conf_dist_matrix[0, i], rmsd[2], rtol=0, atol=1.5e-3, err_msg=err_msg)

@pytest.mark.skip(reason='test to see if it times out')
def test_rmsd_matrix_with_superimposition_custom_weights(self, ens1):
conf_dist_matrix = encore.confdistmatrix.conformational_distance_matrix(
ens1,
Expand All @@ -177,7 +175,6 @@ def test_rmsd_matrix_with_superimposition_custom_weights(self, ens1):
for i in range(conf_dist_matrix_custom.size):
assert_allclose(conf_dist_matrix_custom[0, i], conf_dist_matrix[0, i], rtol=0, atol=1.5e-7)

@pytest.mark.skip(reason='test to see if it times out')
def test_rmsd_matrix_without_superimposition(self, ens1):
selection_string = "name CA"
selection = ens1.select_atoms(selection_string)
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