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Add type annotations, docstrings, and comments across codebase - #5

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Add type annotations, docstrings, and comments across codebase#5
antoine-frot wants to merge 1 commit into
lcmd-epfl:masterfrom
antoine-frot:master

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@antoine-frot

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General:

  • Added type annotations (: and ->) and one-line docstrings to all functions in src/ and src/libs/.
  • Corrected spacing issues throughout.

File-specific:

  • config.py: Added comments for all options and paths with sidechains_examples filenames, comments for check_paths, corrected typo for 'soap_lcut' (removed trailing space), renamed paths0/paths1 to input_files/output_bases.
  • basis.py: Removed basis_read wrapper, renamed basis_read_full to basis_read, renamed Lmax/Nmax to lmax/nmax for consistency, added main block for standalone use.
  • ALL.bash: Refactored to separate training (training.bash) from prediction (extrapolation.bash).

Note: I commented out the variance computation in regression.py I will reintroduce in a future commit.

General:
- Added type annotations (: and ->) and one-line docstrings to all functions in src/ and src/libs/.
- Corrected spacing issues throughout.

File-specific:
- config.py: Added comments for all options and paths with sidechains_examples filenames,
  comments for check_paths, corrected typo for 'soap_lcut' (removed trailing space),
  renamed paths0/paths1 to input_files/output_bases.
- basis.py: Removed basis_read wrapper, renamed basis_read_full to basis_read,
  renamed Lmax/Nmax to lmax/nmax for consistency, added __main__ block for standalone use.
- ALL.bash: Refactored to separate training (training.bash) from prediction (extrapolation.bash).

Note: I commented out the variance computation in regression.py I will reintroduce in a future commit.
@briling

briling commented Jul 2, 2026

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Good work, thank you! Will need some time to merge with the refactored version though...

@briling

briling commented Jul 2, 2026

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Note: I commented out the variance computation in regression.py I will reintroduce in a future commit.

In principle this should not be in the PR. next time you can add partial changes with git add -p

@antoine-frot

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Note: I commented out the variance computation in regression.py I will reintroduce in a future commit.

In principle this should not be in the PR. next time you can add partial changes with git add -p

Okay thank you I did not know about this interesting feature.

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2 participants