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toxtests pass. Runtoxcommand inside the repository folder-test.cfgexamples execute without errors. Insideexamples/runpython run_tests.py -bCloses #580 by implementing the sorting logic in capri_cluster_analysis.
IMPORTANT: the rank in the caprieval table may differ from the rank coming from the
clustfccmodule, for instance when a differentclt_thresholdis defined. This is why I added acaprieval_rankfield to thecapri_clttable, which indicates the ranking according to the standard capri order (average of the score over the firstclt_thresholdmodels). Of course when a different sorting key (dockq, fnat, ...) is provided, the order changes andcaprieval_rankremains unaltered (as in the single structure case).Additionally, the cluster_analysis test has been extended