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Check for carbon in elements for Hill #586
Check for carbon in elements for Hill #586
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If carbon is not present, the elements should be sorted alphabetically (including hydrogen).
Codecov Report
@@ Coverage Diff @@
## master #586 +/- ##
==========================================
- Coverage 91.77% 91.77% -0.01%
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Files 62 62
Lines 3222 3220 -2
==========================================
- Hits 2957 2955 -2
Misses 265 265
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LGTM, thanks for spotting this
Actually, why don't the tests I just added fail, e.g. optimade-python-tools/tests/models/test_structures.py Lines 83 to 85 in d48b7a8
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Okay mb, I see that test was updated (it just looked different to my local version) |
Because I updated this exact test (as mentioned in the OP and found in the |
Fixes #585.
If carbon is not present, the elements should be sorted alphabetically (including hydrogen).
This changes a test to the corrected definition of Hill notation.