changed dihedral atom group selection strings in test_dihedral.py #218
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…achieve an ordered selection format
cadeduckworth
commented
Nov 4, 2022
cadeduckworth
commented
Nov 4, 2022
…h assert atom group order
… pytest locally * selection string format updated, final, correct, and consistent with original intended selection order * updated values calculated for circmean, circvar for use in test_results_recursive2() * changed order for arguments in assert_almost_equal() for use in test_results_recursive2() to align with format in numpy.testing docs, (actual, desired) for readability, does not affect accuracy or testing purposes
Codecov Report
@@ Coverage Diff @@
## develop #218 +/- ##
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+ Coverage 78.52% 78.76% +0.24%
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Files 11 11
Lines 1676 1691 +15
Branches 255 255
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+ Hits 1316 1332 +16
Misses 276 276
+ Partials 84 83 -1
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orbeckst
requested changes
Nov 14, 2022
This was referenced Nov 14, 2022
…) to skip test in python<3.8 due to scipy version conflicts when calculating circvar
cadeduckworth
added a commit
that referenced
this pull request
Nov 17, 2022
orbeckst
approved these changes
Nov 17, 2022
|
Well done, thank you @cadeduckworth ! |
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changed selection string format for dihedral atom groups: