Skip to content

Clarify API documentation#10

Merged
tovrstra merged 8 commits intomolmod:mainfrom
tovrstra:doc-clarification
Dec 27, 2025
Merged

Clarify API documentation#10
tovrstra merged 8 commits intomolmod:mainfrom
tovrstra:doc-clarification

Conversation

@tovrstra
Copy link
Member

These are some collected minor clarifications to the API documentation (docstrings and type hints).

Copy link
Contributor

Copilot AI left a comment

Choose a reason for hiding this comment

The reason will be displayed to describe this comment to others. Learn more.

Pull request overview

This PR improves API documentation clarity by updating docstrings and type hints across the codebase. The changes focus on replacing plain text references with Sphinx cross-references (:class:, :func:), improving type annotations, and expanding documentation for better user understanding.

  • Enhanced cross-references using Sphinx notation for better documentation navigation
  • Added return type annotations to functions in cost.py
  • Expanded documentation in estimate.py with detailed property descriptions
  • Updated Sphinx configuration to include __call__ methods in generated documentation

Reviewed changes

Copilot reviewed 8 out of 8 changed files in this pull request and generated 3 comments.

Show a summary per file
File Description
src/stacie/utils.py Reformatted example text and converted plain text references to Sphinx cross-references
src/stacie/spectrum.py Updated docstring to use Sphinx cross-references and clarified return value usage
src/stacie/model.py Converted NotImplementedError reference to Sphinx cross-reference
src/stacie/estimate.py Significantly expanded documentation with detailed property lists and Sphinx cross-references
src/stacie/cutoff.py Added type hint NDArray[float] to dictionary parameter and updated method reference
src/stacie/cost.py Added return type annotations list[NDArray[float]] to three functions
docs/source/conf.py Added __call__ to special-members in autodoc configuration
docs/clean.sh Added jupyter_execute directory to cleanup script

💡 Add Copilot custom instructions for smarter, more guided reviews. Learn how to get started.

tovrstra and others added 3 commits December 26, 2025 08:40
Co-authored-by: Copilot <175728472+Copilot@users.noreply.github.com>
Copy link
Collaborator

@gozdetoraman gozdetoraman left a comment

Choose a reason for hiding this comment

The reason will be displayed to describe this comment to others. Learn more.

@tovrstra looks good to me, just some minor suggestions to docstrings.

tovrstra and others added 4 commits December 27, 2025 11:38
Co-authored-by: Gözde Toraman <toramangozdenur@gmail.com>
Co-authored-by: Gözde Toraman <toramangozdenur@gmail.com>
@tovrstra
Copy link
Member Author

@gozdetoraman Thanks for checking. To avoid repetition, I've mentioned elsewhere which are statistical estimates. I'll merge soon but further adjustments remain welcome.

@tovrstra tovrstra merged commit 4b05c7b into molmod:main Dec 27, 2025
7 checks passed
@tovrstra tovrstra deleted the doc-clarification branch December 27, 2025 10:52
Sign up for free to join this conversation on GitHub. Already have an account? Sign in to comment

Labels

None yet

Projects

None yet

Development

Successfully merging this pull request may close these issues.

2 participants