Fix max_scf_cycles assignment #48

[patrick-austin]

Increase test coverage.

Removals

• parse_final_energy was (excluding calls in tests) unused and was causing test failures on Windows due to how it handles tempfiles compared to Linux/MacOS, so removed it

Bugs fixes and improvements

• Failing max_scf_cycles assignment in ReadWriteCastep
• parse_castep_masses returns np.ndarray
• Reduced unnecessary reads accessing UEP calculator properties

Changes to existing tests

• Replace Windows \\ with / for asserting filepaths

#48

[codecov]

Codecov Report

Attention: 5 lines in your changes are missing coverage. Please review.

Comparison is base (36e88d8) 74.65% compared to head (2e1b24d) 83.17%.

❗ Current head 2e1b24d differs from pull request most recent head 0582eaa. Consider uploading reports for the commit 0582eaa to get more accurate results

Files	Patch %	Lines
pymuonsuite/io/uep.py	50.00%	5 Missing ⚠️

Additional details and impacted files

@@            Coverage Diff             @@
##             main      #87      +/-   ##
==========================================
+ Coverage   74.65%   83.17%   +8.51%     
==========================================
  Files          25       25              
  Lines        2265     2270       +5     
  Branches      356        0     -356     
==========================================
+ Hits         1691     1888     +197     
+ Misses        482      382     -100     
+ Partials       92        0      -92     

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