Issue 2327 - Warn of upcoming scale_factor changes#3185
Issue 2327 - Warn of upcoming scale_factor changes#3185IAlibay merged 6 commits intoMDAnalysis:masterfrom
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Codecov Report
@@ Coverage Diff @@
## master #3185 +/- ##
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+ Coverage 90.96% 91.81% +0.84%
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Files 162 167 +5
Lines 22192 22699 +507
Branches 3201 3201
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+ Hits 20187 20840 +653
- Misses 1382 1775 +393
+ Partials 623 84 -539
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lilyminium
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Looks good, thanks @IAlibay. Is there currently a PR open implementing these changes in 2.0?
Also please can you resolve the CHANGELOG conflict :)
Not yet, I'll deal with it post-1.1.0 release / dealing with our March deadlines 😉 |
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I can't seem to squash-merge this on the app (merge seems to be the only option). If anyone else feels like doing it, please feel free! |
Towards MDAnalysis#2327 # Work done in this PR * Adds warning for upcoming changes to scale_factor writing in NCDFWriter
- Fixes #2327 - Completes #3185 - Adds `scale_factor` writing support to NCDFWriter. - Changes the default `scale_factor` value for velocity writing to 20.455 in order to match the AMBER default Co-authored-by: Lily Wang <31115101+lilyminium@users.noreply.github.com> Co-authored-by: Oliver Beckstein <orbeckst@gmail.com>
Towards #2327
Changes made in this Pull Request:
scale_factorentries with the NCDFWriter.PR Checklist