NWChemEx / NWChemEx/PluginPlay

Get keys of modules satisfying a specified PT

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Dominant language
C++
Stars
13
Forks
1
Avg merge
43m
Merged PRs (30d)
4

Description

Transferred from https://github.com/NWChemEx-Project/Chemist/issues/142.

If we had a function like auto keys = mm.find_modules<pt>() the aforementioned issue is as simple as looking for all modules satisfying pt == MolecularBasisSet.

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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

Locate the module-manager implementation and the proposed find_modules<pt>() entry point. Determine how the pt == MolecularBasisSet condition is represented, then add coverage showing that keys for matching modules are returned. Done means callers can retrieve those keys through the proposed API.

Written by the indexing model from the issue text.

Assessment

Tech stack
cpp
Domain
backend-api-design
Issue type
Feature
Difficulty
4/5
Estimated time
3-5 days
Activity status
Stale
Clarity
Mostly clear
Newbie friendliness
38/100

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