Corrected ranking in caprieval for reverse sorting - Issue #1621

[amjjbonvin]

What does this PR do and why?

Corrected libcapri.py so that when sort_ascending=false the caprieval_rank reported in capri_ss.tsv match the actually sorting of the file

Added a test for this.

How was this tested?

By running a test example from the docking-protein-protein example, adding sort_ascending=false to a caprieval module and check that the caprieval_ranks are matching the sort order.

AI assistance

AI was used to add the test

Checklist

• Tests cover the new and/or changed code
• Documentation updated if needed (also in the haddock3 user-manual
• CHANGELOG.md updated for user-facing changes

Related issues

#1621

Notes for reviewers

Note that the reranking is only affecting the single structure analysis reported in capri_ss.tsv

Better not to change the reported cluster_rank in the capri_clt.tsv file as this rank corresponds to the cluster naming. In this case, the reverse sorting should be enabled directly in the seletopclust module (see issue #1620)

[AnnaKravchenko]

Sorting is working as expected now - checked for 'score' and ‘fnat’ metrics, both in caprieval and caprifilter.

Also, I found out this bug was introduced by me while moving the sorting function from capri.py to libcapri.py:( Nice it was spotted and resolved quickly!