Skip to content
New issue

Have a question about this project? Sign up for a free GitHub account to open an issue and contact its maintainers and the community.

By clicking “Sign up for GitHub”, you agree to our terms of service and privacy statement. We’ll occasionally send you account related emails.

Already on GitHub? Sign in to your account

Improvements for matchms cleaning pipeline #591

Open
niekdejonge opened this issue Jan 2, 2024 · 0 comments
Open

Improvements for matchms cleaning pipeline #591

niekdejonge opened this issue Jan 2, 2024 · 0 comments
Assignees

Comments

@niekdejonge
Copy link
Collaborator

When working on the mathms cleaning pipeline, these issues were not implemented but might be good to implement before publishing.

General matchms changes:

  • We still have filters that are already run during loading of spectra. Maybe remove the running of these filters from Metadata? Because this feels inconsistent.
  • Add automatic test that checks that the tests use the same naming and folder structure? (if feasible)(now the naming is often not updated in tests)

Pipeline improvments:

  • Remove Default filters. Since this was by now replaced by the default pipelines
  • Create a tutorial for library cleaning
    • The poetry install does not seem to match with the readme. Does pip install -e .[dev] still work? It does not install pytest
  • Make progressing report use the order of filter orders for clarity (now it is on order of affecting a spectrum)
  • Make a FilterFunction class. That does the filter function loading, instead of doing this in spectrum processor.
Sign up for free to join this conversation on GitHub. Already have an account? Sign in to comment
Projects
None yet
Development

No branches or pull requests

1 participant