Feature labels

[AntObi]

Feature labels

Description

• Moved element representations data into src/elementembeddings/data/element_representations
• Added feature_labels attribute to Embedding class which preserves feature labels from csv files
• composition_featuriser will return a dataframe with feature labels if a pd.Series/pd.DataFrame object of formulas is passed.
• Updated example notebooks
• Fixed tests in response to updates

Fixes #72

Type of change

• Bug fix (non-breaking change which fixes an issue)
• New feature (non-breaking change which adds functionality)
• This change requires a documentation update

How Has This Been Tested?

• Ran pytest to check changes do not break existing functions

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

Merging #73 (93d5966) into main (3eba22b) will increase coverage by 0.61%.
Report is 1 commits behind head on main.
The diff coverage is 97.14%.

@@            Coverage Diff             @@
##             main      #73      +/-   ##
==========================================
+ Coverage   90.34%   90.96%   +0.61%     
==========================================
  Files           9        9              
  Lines         860      852       -8     
==========================================
- Hits          777      775       -2     
+ Misses         83       77       -6     

Files Changed	Coverage Δ
src/elementembeddings/composition.py	84.97% <91.66%> (+2.99%)	⬆️
src/elementembeddings/core.py	84.56% <100.00%> (-0.12%)	⬇️
src/elementembeddings/tests/test_composition.py	100.00% <100.00%> (ø)
src/elementembeddings/tests/test_core.py	100.00% <100.00%> (ø)