NCAR / NCAR/MechanismConfiguration

Remove PhaseSpecies from configuration and extend Species to support phase-specific properties

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#302 2 comments 0 reactions 0 assignees View on GitHub

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Dominant language
C++
Stars
1
Forks
3
Avg merge
9h 30m
Merged PRs (30d)
4

Description

PhaseSpecies is not intuitive for users. It requires users to maintain separate Species and PhaseSpecies objects. PhaseSpecies exisits to provide phase-dependent properties such as diffusion coefficients and density.

Species properties can be accessed through the C API's GetProperties() template function, while PhaseSpecies does not have equivalent support. In the downstream APIs (Python and Fortran), phase-specific properties currently appear to be ignored, but this requires further investigation. (Related issue: https://github.com/NCAR/musica/issues/938)

  • Remove the PhaseSpecies
  • Extend Species to support phase-specific properties, including diffusion coefficient and density.
  • Provide backward compatibility guidance for users currently using PhaseSpecies.

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 tracing the Species and PhaseSpecies configuration types and the C API Species::GetProperties() entry point. Investigate how phase-specific properties are exposed in the Python and Fortran APIs, including the related issue #938. Done means PhaseSpecies is removed, Species supports diffusion coefficient and density by phase, and backward-compatibility guidance is provided.

Written by the indexing model from the issue text.

Assessment

Tech stack
cpp, fortran, python
Domain
api
Issue type
Refactor
Difficulty
5/5
Estimated time
Over a week
Activity status
Quiet
Clarity
Mostly clear
Newbie friendliness
35/100

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