codecov-commenter
commented
2 years ago Codecov Report
Merging #176 (baaea46) into main (379bd9e) will increase coverage by
0.00%. The diff coverage is100.00%.
@@ Coverage Diff @@
## main #176 +/- ##
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Coverage 98.31% 98.31%
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Files 44 44
Lines 1718 1724 +6
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+ Hits 1689 1695 +6
Misses 29 29 | Flag | Coverage Δ | |
|---|---|---|
| unittests | 98.31% <100.00%> (+<0.01%) |
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| Impacted Files | Coverage Δ | |
|---|---|---|
| reciprocalspaceship/utils/__init__.py | 100.00% <100.00%> (ø) |
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| reciprocalspaceship/utils/asu.py | 100.00% <100.00%> (ø) |
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| reciprocalspaceship/utils/phases.py | 100.00% <100.00%> (ø) |
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| reciprocalspaceship/utils/symmetry.py | 100.00% <100.00%> (ø) |
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Aligning maps of isomorphous structures can benefit from classifying polar space groups. This is useful for distinguishing which cases have a discrete set of alternative origins vs. continuous alternatives (see #174).
This PR implements a
reciprocalspaceship.utils.is_polar()utility function that classifies a space group as polar. This function is tested against the 530 spacegroup settings insgtbx.