Adds unwrap keyword to Asphericity method#2290
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richardjgowers merged 20 commits intoMDAnalysis:developfrom Jul 10, 2019
NinadBhat:asphericity-unwrap
Merged
Adds unwrap keyword to Asphericity method#2290richardjgowers merged 20 commits intoMDAnalysis:developfrom NinadBhat:asphericity-unwrap
richardjgowers merged 20 commits intoMDAnalysis:developfrom
NinadBhat:asphericity-unwrap
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Merge Upstream
Updating fork
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Will make changes to this once #2288 is merged |
Codecov Report
@@ Coverage Diff @@
## develop #2290 +/- ##
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+ Coverage 89.66% 89.67% +<.01%
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Files 172 172
Lines 21421 21427 +6
Branches 2792 2794 +2
===========================================
+ Hits 19208 19214 +6
Misses 1616 1616
Partials 597 597
Continue to review full report at Codecov.
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4 tasks
richardjgowers
requested changes
Jul 9, 2019
| @warn_if_not_unique | ||
| def asphericity(group, pbc=None): | ||
| @check_pbc_and_unwrap | ||
| def asphericity(group, pbc=None, unwrap=None, compound='group'): |
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You're adding a compound kwarg here with no tests, it's probably best not to add it now
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I have added tests for compound now. Should I remove it?
richardjgowers
approved these changes
Jul 10, 2019
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Fixes #2291
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