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API update from OpenDX and MRC#164

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spyke7 wants to merge 2 commits intoMDAnalysis:masterfrom
spyke7:api_update
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API update from OpenDX and MRC#164
spyke7 wants to merge 2 commits intoMDAnalysis:masterfrom
spyke7:api_update

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@spyke7
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@spyke7 spyke7 commented Mar 11, 2026

This is regarding #161

Implemented from_grid() a static method and native (property) inside OpenDX.py and mrc.py

  • Just simply added those two functions inside files
  • register converters
  • change export
  • write tests

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codecov bot commented Mar 11, 2026

Codecov Report

❌ Patch coverage is 91.17647% with 3 lines in your changes missing coverage. Please review.
✅ Project coverage is 88.59%. Comparing base (b29c1f4) to head (4243676).

Files with missing lines Patch % Lines
gridData/core.py 57.14% 3 Missing ⚠️
Additional details and impacted files
@@            Coverage Diff             @@
##           master     #164      +/-   ##
==========================================
+ Coverage   88.20%   88.59%   +0.38%     
==========================================
  Files           5        5              
  Lines         814      833      +19     
  Branches      107      107              
==========================================
+ Hits          718      738      +20     
- Misses         56       57       +1     
+ Partials       40       38       -2     

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@spyke7
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spyke7 commented Mar 16, 2026

@orbeckst pls check this kindly

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This is already looking pretty good. Please also add doc strings and update CHANGELOG. Will have a closer look once this is done. Thank you!

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2 participants