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Fixes #3743: Modernize test assertions in test_base.py #4951

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Merged
RMeli merged 7 commits into from
Apr 15, 2025
+5 −4
Merged

Fixes #3743: Modernize test assertions in test_base.py #4951

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c16bbc4
Modernize test assertions in test_base.py for #3743: replace assert_a…
Abdulrahman-PROG Apr 14, 2025
65e97b2
Add md/ to .gitignore
Abdulrahman-PROG Apr 14, 2025
ea7e0a0
Add Abdulrahman Elbanna to package/AUTHORS under 2025
Abdulrahman-PROG Apr 14, 2025
3c2240b
Revert changes to AUTHORS and CHANGELOG to match upstream develop branch
Abdulrahman-PROG Apr 14, 2025
9d1816a
Revert addition of md/ to .gitignore to focus PR on test_base.py changes
Abdulrahman-PROG Apr 14, 2025
aeb89e9
Add Abdulrahman Elbanna to package/AUTHORS under 2025
Abdulrahman-PROG Apr 14, 2025
7dd52d9
Add @Abdulrahman-PROG to CHANGELOG contributors for 2.10.0
Abdulrahman-PROG Apr 14, 2025
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1 change: 1 addition & 0 deletions package/AUTHORS
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Original file line number Diff line number Diff line change
Expand Up @@ -254,6 +254,7 @@ Chronological list of authors
- Yu-Yuan (Stuart) Yang
- James Rowe
- Debasish Mohanty
- Abdulrahman Elbanna


External code
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2 changes: 1 addition & 1 deletion package/CHANGELOG
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Expand Up @@ -14,7 +14,7 @@ The rules for this file:


-------------------------------------------------------------------------------
??/??/?? IAlibay, orbeckst, BHM-Bob, TRY-ER
??/??/?? IAlibay, orbeckst, BHM-Bob, TRY-ER, Abdulrahman-PROG


* 2.10.0
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6 changes: 3 additions & 3 deletions testsuite/MDAnalysisTests/analysis/test_base.py
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Expand Up @@ -27,7 +27,7 @@
import numpy as np
import pytest
from MDAnalysis.analysis import backends, base
from numpy.testing import assert_allclose, assert_almost_equal, assert_equal
from numpy.testing import assert_allclose, assert_equal

from MDAnalysisTests.datafiles import DCD, PSF, TPR, XTC
from MDAnalysisTests.util import no_deprecated_call
Expand Down Expand Up @@ -279,7 +279,7 @@ def test_start_stop_step_parallel(u, run_kwargs, frames, client_FrameAnalysis):
assert an.n_frames == len(frames)
assert_equal(an.found_frames, frames)
assert_equal(an.frames, frames, err_msg=FRAMES_ERR)
assert_almost_equal(an.times, frames + 1, decimal=4, err_msg=TIMES_ERR)
assert_allclose(an.times, frames + 1, rtol=0, atol=1e-4, err_msg=TIMES_ERR)


def test_reset_n_parts_to_n_frames(u):
Expand Down Expand Up @@ -614,7 +614,7 @@ def test_AnalysisFromFunction_args_content(u, client_AnalysisFromFunction):
assert len(ans.args) == 3
result = np.sum(ans.run(**client_AnalysisFromFunction).results.timeseries)
assert_allclose(result, -317054.67757345125, rtol=0, atol=1.5e-6)
assert_almost_equal(result, -317054.67757345125, decimal=6)
assert_allclose(result, -317054.67757345125, rtol=0, atol=1e-6)
assert (ans.args[0] is protein) and (ans.args[1] is another)
assert ans._trajectory is protein.universe.trajectory

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