Update band interpolation

[kavanase]

Just a small PR which switches from using pcolormesh to imshow in plotting, which then makes use of built-in interpolation and reduces some of the graininess of plotted grids mentioned in #55

Summary by CodeRabbit

• Documentation

  • Fixed a minor grammatical error in documentation for crystalline silicon unfolding process
  • Updated comment clarity in spectral function plotting method

• Improvements

  • Modified spectral function visualization technique using imshow for better rendering
  • Enhanced parameter handling in plotting methods for clarity and consistency
  • Updated exception handling configuration for stricter checks on caught exceptions

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📥 Commits

Reviewing files that changed from the base of the PR and between 6adba6e and 39147d1.

📒 Files selected for processing (1)

• .github/workflows/ci.yaml (3 hunks)

Walkthrough

The pull request introduces a minor textual correction in the documentation for the unfolding process of crystalline silicon, fixing a typographical error. Additionally, updates are made to the plot_dos and plot_spectral_function methods in the easyunfold/plotting.py file, including a change in the parameter order for plot_dos, a shift from pcolormesh to imshow in plot_spectral_function, and clarifications in comments and method calls. The changes enhance clarity in the code without altering functionality.

Changes

File	Change Summary
docs/examples/example_si222.md	Corrected typo: "with out" → "without" in documentation text
easyunfold/plotting.py	Updated plot_dos method parameter order and handling of dos_options. Modified plot_spectral_function method: - Replaced ax_.pcolormesh with ax_.imshow for rendering. - Updated shading from auto to gouraud. - Revised comments for clarity. - Adjusted method calls to reflect new parameter order.
.pylintrc	Updated overgeneral-exceptions to include both builtins.BaseException and builtins.Exception for stricter exception handling checks.

Poem

🐰 In the world of code, a small delight,
A typo fixed, now shining bright!
From pcolormesh to imshow's grace,
Clarity found in every place.
With each small change, we hop along! 🌟

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[codecov]

Codecov Report

Attention: Patch coverage is 0% with 8 lines in your changes missing coverage. Please review.

Project coverage is 0.00%. Comparing base (7f772bf) to head (39147d1).

Files with missing lines	Patch %	Lines
easyunfold/plotting.py	0.00%	8 Missing ⚠️

Additional details and impacted files

@@          Coverage Diff          @@
##            main     #56   +/-   ##
=====================================
  Coverage   0.00%   0.00%           
=====================================
  Files         10      10           
  Lines       2055    2057    +2     
=====================================
- Misses      2055    2057    +2     

☔ View full report in Codecov by Sentry.
📢 Have feedback on the report? Share it here.

[kavanase]

@zhubonan are you happy for me to merge this?
I will update the version number too. There is also #55 to be dealt with

[zhubonan]

I think the use of pcolormesh was due to it supporting none-regular mesh, which would be the case here as the k-points may not have uniform spacing the reciprocal space.

[kavanase]

Ah ok, fair enough.

I've updated this to:

• Add a comment on why pcolormesh is used to prevent future confusion / easier maintenance
• Reverted to pcolormesh but updating shading to 'gouraud' which gives better interpolation (see here).

Small differences, but for comparison:
This is the NaBiS2 example with the default easyunfold unfold plot, with previous shading='auto':

With added shading='gouraud':

(Less grainy)

[coderabbitai]

Actionable comments posted: 0

🧹 Nitpick comments (1)

.pylintrc (1)

425-426: LGTM! Enhanced exception handling checks.

The expanded configuration will now warn about catching both builtins.BaseException and builtins.Exception, encouraging the use of more specific exception types. This is a good practice as it:

• Prevents accidentally catching too many exceptions
• Makes error handling more explicit and maintainable
• Helps identify and handle specific error cases appropriately

When catching exceptions, prefer using specific exception types that match your error cases. For example:

try:
    # Some file operation
except FileNotFoundError:
    # Handle missing file
except PermissionError:
    # Handle permission issues

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📥 Commits

Reviewing files that changed from the base of the PR and between afa9e17 and 6adba6e.

📒 Files selected for processing (2)

• .pylintrc (1 hunks)
• easyunfold/plotting.py (6 hunks)

🚧 Files skipped from review as they are similar to previous changes (1)

• easyunfold/plotting.py

⏰ Context from checks skipped due to timeout of 90000ms (8)

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• GitHub Check: build (3.9)
• GitHub Check: build (3.11)
• GitHub Check: build (3.10)
• GitHub Check: build (3.9)
• GitHub Check: pre-commit

[kavanase]

@zhubonan codecov isn't detecting the tests directory, giving a coverage of zero. Previously it detected it with the __init__.py file in tests, but this causes some other issues when installing. I think it's likely just an issue of setting something in a configuration file / on codecov settings (but I've never used it)