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Deprecate ParmedConverter taking Timestep objects #3172

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merged 8 commits into from
Apr 3, 2021

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lilyminium
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Fixes #
Relates to #3031

Changes made in this Pull Request:

  • Fixed ParmedConverter reading Timestep objects, at least the AttributeErrors
  • Deprecated ParmedConverter reading Timestep objects

PR Checklist

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

@pep8speaks
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pep8speaks commented Mar 16, 2021

Hello @lilyminium! 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 2021-04-03 18:33:17 UTC

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codecov bot commented Mar 16, 2021

Codecov Report

Merging #3172 (2d5e901) into master (c6f1a5a) will increase coverage by 0.86%.
The diff coverage is 100.00%.

Impacted file tree graph

@@            Coverage Diff             @@
##           master    #3172      +/-   ##
==========================================
+ Coverage   90.96%   91.82%   +0.86%     
==========================================
  Files         162      167       +5     
  Lines       22196    22702     +506     
  Branches     3201     3201              
==========================================
+ Hits        20191    20847     +656     
- Misses       1382     1771     +389     
+ Partials      623       84     -539     
Impacted Files Coverage Δ
package/MDAnalysis/coordinates/ParmEd.py 90.55% <100.00%> (+2.28%) ⬆️
package/MDAnalysis/topology/tpr/obj.py 96.82% <0.00%> (-3.18%) ⬇️
...onality_reduction/DimensionalityReductionMethod.py 97.14% <0.00%> (-2.86%) ⬇️
package/MDAnalysis/analysis/legacy/x3dna.py 0.00% <0.00%> (ø)
package/MDAnalysis/due.py 56.09% <0.00%> (ø)
package/MDAnalysis/tests/__init__.py 100.00% <0.00%> (ø)
package/MDAnalysis/analysis/legacy/__init__.py 0.00% <0.00%> (ø)
package/MDAnalysis/tests/datafiles.py 31.25% <0.00%> (ø)
package/MDAnalysis/core/selection.py 99.52% <0.00%> (+<0.01%) ⬆️
...sis/analysis/encore/clustering/ClusteringMethod.py 96.96% <0.00%> (+0.04%) ⬆️
... and 86 more

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@lilyminium lilyminium force-pushed the deprecate-parmed-ts branch from 5929a64 to 60e7268 Compare April 2, 2021 03:27
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@IAlibay IAlibay left a comment

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Couple of minor things

package/MDAnalysis/coordinates/ParmEd.py Outdated Show resolved Hide resolved
package/MDAnalysis/coordinates/ParmEd.py Show resolved Hide resolved
@lilyminium lilyminium force-pushed the deprecate-parmed-ts branch from fc808d7 to 63fbaae Compare April 3, 2021 08:52
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@IAlibay IAlibay left a comment

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Still gotta live that py2.7 life :(

package/MDAnalysis/coordinates/ParmEd.py Outdated Show resolved Hide resolved
@IAlibay IAlibay merged commit 1522653 into MDAnalysis:master Apr 3, 2021
@lilyminium lilyminium deleted the deprecate-parmed-ts branch April 3, 2021 19:44
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3 participants