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feat: add write lhe file functions #233

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@APN-Pucky APN-Pucky commented Feb 20, 2024

I decided to add a tolhe() function to every class (since it is neither xml nor a simple string).
The format strings can maybe still be improved?
read_lhe_init() now returns a LHEInit object combining weights, procinfo and initinfo. For backwards compatibility I added the get/set there so that LHEInit will still behave as previous LHEInit, what is now LHEInitInfo.

The tests can probably still be extended, but for the first draft I just hardcoded them for one file.

Already includes #232 and #231
Closes: #229

@APN-Pucky APN-Pucky changed the title feature: add write lhe file functions feat: add write lhe file functions Feb 20, 2024
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codecov bot commented Feb 20, 2024

Codecov Report

Attention: Patch coverage is 90.00000% with 8 lines in your changes are missing coverage. Please review.

Project coverage is 91.17%. Comparing base (584c03f) to head (ef0376f).

Files Patch % Lines
src/pylhe/__init__.py 90.00% 1 Missing and 7 partials ⚠️
Additional details and impacted files
@@            Coverage Diff             @@
##             main     #233      +/-   ##
==========================================
- Coverage   91.48%   91.17%   -0.32%     
==========================================
  Files           2        2              
  Lines         235      306      +71     
  Branches       54       78      +24     
==========================================
+ Hits          215      279      +64     
- Misses         16       17       +1     
- Partials        4       10       +6     
Flag Coverage Δ
unittests-3.10 90.84% <90.00%> (-0.22%) ⬇️
unittests-3.8 90.84% <90.00%> (-0.22%) ⬇️

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@APN-Pucky APN-Pucky marked this pull request as ready for review February 20, 2024 17:47
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Write LHE file function
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