OpenFreeEnergy / OpenFreeEnergy/openfe

Abstract repeated `get_uncertainty` functions

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Dominant language
Python
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331
Forks
56
Avg merge
3d 9h
Merged PRs (30d)
13

Description

Is your feature request related to a problem? Please describe.

In #2000 I noticed a lot of results classes use the std of the estimates to give the uncertainty which leads to a lot of repeated code it would be great to abstract this out to a single place if possible

Describe the solution you'd like

Describe alternatives you've considered

Additional context

Contributor guide

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First steps

  1. Read the whole issue, then the project's contributing guide.
  2. Comment on the issue to say you are picking it up — it saves two people doing the same work.
  3. Fork the repository and make your change on a branch.
  4. Open a pull request that references the issue number.

Research direction

Start by reviewing the result classes and their repeated get_uncertainty functions, using issue #2000 for the motivating context. Identify a shared abstraction that preserves the existing standard-deviation uncertainty behavior, then verify that all affected result classes use it consistently.

Written by the indexing model from the issue text.

Assessment

Tech stack
python
Domain
backend
Issue type
Refactor
Difficulty
4/5
Estimated time
3-5 days
Activity status
Quiet
Clarity
Needs clarification
Newbie friendliness
45/100

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