Addition of water selection documentation #4881
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addition of water in simple selection with its description
Codecov ReportAll modified and coverable lines are covered by tests ✅
Additional details and impacted files@@ Coverage Diff @@
## develop #4881 +/- ##
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- Coverage 93.65% 93.64% -0.02%
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Files 177 189 +12
Lines 21796 22862 +1066
Branches 3067 3067
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+ Hits 20414 21408 +994
- Misses 929 1002 +73
+ Partials 453 452 -1 ☔ View full report in Codecov by Sentry. |
hmacdope
requested changes
Jan 5, 2025
added mention of all available resnames for water that are recognized
IAlibay
requested changes
Jan 6, 2025
| is defined with a set of common water abbreviations present in | ||
| topology files and may not work with certain water residue names. | ||
| Currently the following water resnames are supported: | ||
| 3 letter resnames: ``H2O``, ``HOH``, ``OH2``, ``HHO``, ``OHH``, ``TIP``, |
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I'm not sure this will render out amazingly well - unfortunately the docs build seems to have failed.
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Cycling the PR to see if we can get RTD to rebuild. |
Co-authored-by: Irfan Alibay <[email protected]>
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Fixes #4880
Changes made in this Pull Request:
waterkeyword description inselections.rstI would assume since it is a short PR fix that is connected to #4854 there is no necessity for an modification of
the
CHANGELOGand creation of a new mention for this short fix, although I could add the mention of this PR in the line where I mention the implementation of thewatertoken in the first place, if this is preferedPR Checklist
Developers certificate of origin
📚 Documentation preview 📚: https://mdanalysis--4881.org.readthedocs.build/en/4881/