Add SAXS scoring module

[cvnoort]

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Introducing a new scoring module to calculate a HADDOCK-SAXS score as described by Karaca & Bonvin (2013) in Acta Crystallographica.

[cvnoort]

TO DO: Use HADDOCK score from models (calculated by the preceding module), rather than calling calc_haddock_score to calculate from scratch. We then no longer need the individual weights for the scoring terms, replace these with one weight for the pre-calculated HADDOCK score (default = 1) and of course keep w_saxs for the SAXS term (default = 50).

[cvnoort]

As discussed, the saxsscore module is a BaseHaddockModule, rather than a ScoringModule.

This is because the latter is a child class of BaseCNSModule that is designed to use CNS, which we do not need for this module. Instead of calling the output function from the BaseCNSModule class, some of it is copied in the module itself to produce a similar output table...

[codecov-commenter]

Codecov Report

Attention: 35 lines in your changes are missing coverage. Please review.

Comparison is base (30373a2) 70.25% compared to head (2937ea6) 69.96%. Report is 58 commits behind head on main.

Files	Patch %	Lines
src/haddock/modules/analysis/saxsscore/__init__.py	28.57%	35 Missing :warning:

Additional details and impacted files

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##             main     #551      +/-   ##
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- Coverage   70.25%   69.96%   -0.30%     
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  Files          78       79       +1     
  Lines        6967     7016      +49     
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+ Hits         4895     4909      +14     
- Misses       2072     2107      +35     

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