Species

[AntObi]

Refactoring and SpeciesEmbedding class

Description

• Refactor Embedding class
• Introduce EmbeddingBase for new Embedding classes to inherit from
• Add mpl tests
• Add new SpeciesEmbedding class

Type of change

• Bug fix (non-breaking change which fixes an issue)
• New feature (non-breaking change which adds functionality)
• Breaking change (fix or feature that would cause existing functionality to not work as expected)
• This change requires a documentation update

How Has This Been Tested?

Ran pytest

Test Configuration:

• Python version: 3.9
• Operating System: WSL2(Ubuntu)

Reviewers

N/A

Checklist:

• My code follows the style guidelines of this project
• I have performed a self-review of my own code
• I have commented my code, particularly in hard-to-understand areas
• I have made corresponding changes to the documentation
• My changes generate no new warnings
• I have added tests that prove my fix is effective or that my feature works
• New and existing unit tests pass locally with my changes
• Any dependent changes have been merged and published in downstream modules
• I have checked my code and corrected any misspellings

[codecov]

Codecov Report

Attention: Patch coverage is 88.16327% with 58 lines in your changes are missing coverage. Please review.

Project coverage is 92.56%. Comparing base (f8983bf) to head (bf0bdee).
Report is 3 commits behind head on main.

Files	Patch %	Lines
src/elementembeddings/_base.py	87.50%	25 Missing ⚠️
src/elementembeddings/core.py	77.89%	21 Missing ⚠️
src/elementembeddings/composition.py	57.89%	8 Missing ⚠️
src/elementembeddings/utils/species.py	83.33%	4 Missing ⚠️

Additional details and impacted files

@@            Coverage Diff             @@
##             main     #100      +/-   ##
==========================================
- Coverage   94.41%   92.56%   -1.85%     
==========================================
  Files           9       12       +3     
  Lines         823     1049     +226     
==========================================
+ Hits          777      971     +194     
- Misses         46       78      +32     

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