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Bug Fixes and Component-wise Force Simplification #78

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merged 7 commits into from
Apr 5, 2024
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shenoynikhil
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@shenoynikhil shenoynikhil commented Apr 5, 2024

Addressing the following issues

  • Removing Nested Dictionary for Force Stats: Simplify component-wise force stats
  • Force stats calculation: force_mean and force_component_mean was calculation incorrectly
  • Stats before caching require iterating through StatisticsResults Object leads to error
  • Loading stats with the right array format
  • Interaction getitem had a bug which wasn't caught because of no tests. Adding tests in Refactor Interaction and Better Testing #71

Checklist:

  • Was this PR discussed in a issue? It is recommended to first discuss a new feature into a GitHub issue before opening a PR.
  • Add tests to cover the fixed bug(s) or the new introduced feature(s) (if appropriate).
  • Update the API documentation is a new function is added or an existing one is deleted.

@shenoynikhil shenoynikhil requested a review from FNTwin April 5, 2024 16:32
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FNTwin commented Apr 5, 2024

PR was great! Tested a bit and added some code for the following:

  • Pickling and loading StatsResult objects
  • Simplified the get_statistics method
  • Found a fixed a common reference bug on multiple dataset statistics
  • Added files + new class for testing the API and prevent regression bugs
  • Added tests

@FNTwin FNTwin merged commit a71f4d7 into release Apr 5, 2024
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@FNTwin FNTwin deleted the simplify branch April 5, 2024 22:30
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2 participants