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Changes cell_angle units to degree (Issue #2327)#2339

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richardjgowers merged 2 commits intoMDAnalysis:developfrom
IAlibay:NCDFWriter
Sep 4, 2019
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Changes cell_angle units to degree (Issue #2327)#2339
richardjgowers merged 2 commits intoMDAnalysis:developfrom
IAlibay:NCDFWriter

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@IAlibay IAlibay commented Sep 4, 2019

Partly fixes #2327

Apologies, this is very much a micro commit. Since I didn't manage to get this through before 0.20.0, I thought I might as well get it done asap so that the reader units deprecation makes more sense in 1.0.

A PR addressing the rest of #2327 is in progress, but considering how close we are to the start of term, it might get stalled for a few months.

Changes made in this Pull Request:

  • Changes the units of the cell_angle variable in the NetCDF writer to degree instead of degrees.
  • Adds tests for units of files created by the NetCDF writer.

PR Checklist

  • Tests?
  • Docs?
  • CHANGELOG updated?
  • Issue raised/referenced?

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codecov bot commented Sep 4, 2019

Codecov Report

Merging #2339 into develop will not change coverage.
The diff coverage is 100%.

Impacted file tree graph

@@           Coverage Diff            @@
##           develop    #2339   +/-   ##
========================================
  Coverage    89.89%   89.89%           
========================================
  Files          173      173           
  Lines        21784    21784           
  Branches      2861     2861           
========================================
  Hits         19583    19583           
  Misses        1609     1609           
  Partials       592      592
Impacted Files Coverage Δ
package/MDAnalysis/coordinates/TRJ.py 94.81% <100%> (ø) ⬆️

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Looks good, couple comments

@richardjgowers richardjgowers merged commit 1e8167c into MDAnalysis:develop Sep 4, 2019
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Cool, thanks @IAlibay , micro fixes are fine and easier to review

@IAlibay IAlibay deleted the NCDFWriter branch September 5, 2019 13:29
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Improving the NCDFWriter behaviour (units + scale_factors)

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