Fix InterRDF_s normalization problem when given density = True#121
Fix InterRDF_s normalization problem when given density = True#121orbeckst merged 7 commits intoMDAnalysis:masterfrom
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VOD555
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Balasubra
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Tests for density function failed as described in #122 . |
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lgtm – but please also raise an issue for serial MDA, especially as we want to do a quick bug-fix release 1.0.1 MDAnalysis/mdanalysis#2768
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| @pytest.fixture(scope='module') | ||
| def rdf_ref(u): |
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Is the reference the normal RDF calculation with a single atom in each group?
| rdf = [] | ||
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| for i, (nA, nB) in enumerate(self.ag_shape): | ||
| for i in range(len(self.ag_shape)): |
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Is this also broken in MDAnalysis.analysis.rdf.InterRDF_s?
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- update CHANGELOG
- merge master
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I merged master. |
Codecov Report
@@ Coverage Diff @@
## master #121 +/- ##
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Coverage 97.93% 97.93%
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Files 12 12
Lines 775 775
Branches 91 91
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Hits 759 759
Misses 10 10
Partials 6 6
Continue to review full report at Codecov.
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Update the CHANGELOG and fix the PEP8 issues and then this should be good to go. Or do you have any other concerns, @VOD555? |
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Fixes #120
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