Added a norm attribute to InterRDF classes
#3687
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This PR adds a `norm` attribute to the two rdf classes `InterRDF` and `InterRDF_s`. It works similar as the density parameter which was only available for `InterRDF_s`. Also, the universe attribute in `InterRDF_s` is depricated because the universe can be accessed via the AtomGroups. Finally, I slightly cleaned up the code and moved the attributes within the classes themselves.
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Hello @PicoCentauri! Thanks for updating this PR. We checked the lines you've touched for PEP 8 issues, and found: There are currently no PEP 8 issues detected in this Pull Request. Cheers! 🍻 Comment last updated at 2022-06-07 07:26:38 UTC |
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## develop #3687 +/- ##
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Coverage 94.35% 94.35%
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Files 191 191
Lines 24975 24984 +9
Branches 3365 3375 +10
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+ Hits 23565 23574 +9
Misses 1362 1362
Partials 48 48
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I bumped the version informations to 2.3.0 and added a note to the CHANGELOG. Thanks at @orbeckst and @richardjgowers for rewieing. |
Did you push? The changes aren't showing up here for some reason. |
of course not 😅 |
package/MDAnalysis/analysis/rdf.py
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| The `exclusion_block` keyword allows the masking of pairs from | ||
| within the same molecule. For example, if there are 7 of each | ||
| atom in each molecule, the exclusion mask `(7, 7)` can be used. | ||
| The ``exclusion_block`` keyword allows the masking of pairs from |
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We actually use the single backticks to refer to keyword arguments (which uses just the default reST role), although this may be inconsistent throughout.
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😅 o we should have docs about that because I've definitely been using double backticks for keywords because otherwise the italics is hard to read (and I use the :attr: and :meth: for other things)
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The example at https://userguide.mdanalysis.org/stable/contributing_code.html#guidelines-for-writing-docstrings use the single backticks.
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Good to know. I changed the docs and it actually also looks cleaner when one is able to distinguish between arguments and inline code snippets.
Changes made in this Pull Request:
This PR adds a
normattribute to the two RDF classesInterRDFandInterRDF_s. It works similarly to the density parameter which was only available forInterRDF_s.Also, the universe attribute in
InterRDF_sis deprecated because the universe is directly available via the AtomGroups.Finally, I slightly cleaned up the code and moved the attributes within the classes themselves.
PR Checklist