Smact filter

[AntObi]

Pull Request Template

Description

• Corrected typing hints for the stoich argument in neutral_ratios and neutral_ratios_iter.
• smact_filter now takes a stoich argument, so users can supply a list of stoichiometries for each site. This can now allow users to filter for charge-neutral compositions of a particular stoichiometric ratio.
  Fixes # (issue)

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?

Re-ran the test suite to check that the tests aren't broken by the update to smact_filter.

The new functionality with the stoichs argument to the smact_filter function has had additional tests written to verify that it works.

Test Configuration:

• Python version: 3.9.16
• Operating System: WSL2 (Ubuntu)

Tests also pass the following OSs and python versions based of Github Actions:

• Mac
• Ubuntu
• Windows
• Python 3.8
• Python 3.9
• Python 3.10

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-commenter]

Codecov Report

Merging #122 (5c819da) into master (4aad83f) will increase coverage by 0.07%.
The diff coverage is 100.00%.

❗ Current head 5c819da differs from pull request most recent head cdc4a26. Consider uploading reports for the commit cdc4a26 to get more accurate results

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@@            Coverage Diff             @@
##           master     #122      +/-   ##
==========================================
+ Coverage   72.57%   72.64%   +0.07%     
==========================================
  Files          24       24              
  Lines        1867     1872       +5     
==========================================
+ Hits         1355     1360       +5     
  Misses        512      512              

Impacted Files	Coverage Δ
smact/__init__.py	86.44% <ø> (ø)
smact/screening.py	87.06% <100.00%> (ø)
smact/tests/test_core.py	100.00% <100.00%> (ø)