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Major refactoring before release

Alex Kanitz requested to merge refactor into master
  • Add/remove rules
    • Add rules for bigWig creation
    • Remove rule extract_decoys_salmon; equivalent file chrName.txt produced by star_index is used instead
  • Sequencing mode-related changes:
    • Remove sequencing mode from output paths for each rule unless absolutely necessary
    • Remove dependency of sequencing mode for rule for FastQC; now runs separately for each strand
    • Sequencing modes now referred to by pe and se rather than paired_end and single_end (new values also expected in Snakemake input table)
  • Changes related to output file/directory structure & MultiQC rule
    • Output filenames for each rule now follow this general structure: samples/{sample_name}/{rule}/{output_file}
    • Moving and renaming outputs for MultiQC is no longer required
    • Code to create MultiQC custom config externalized into script scripts/rhea_multiqc_config.py
    • Add MultiQC output files with deterministic output to md5 sum checks performed during execution of tests/test_integration_workflow/test.{local,slurm}.sh
    • Change log directory structure matches results directory structure
  • Changes to script scripts/labkey_to_snakemake.py
    • Clean up command line interface
    • Allow user to specify environment variables and relative paths in input table and on CLI
    • Correct faulty, remove redundant and rename some other tool-specific parameters
    • Add logging, docstrings & typing definitions
    • Restructure and comment code to improve readability; linters flake8 and mypy pass
  • Miscellaneous changes
    • Consistent, PEP8-compliant formatting in most parts, including Snakemake files, where allowed
    • Add rule start which copies sample data to the results directory and enforces uniform naming
    • Refactoring of ALFA rules and modification of the CI/CD test to ensure compatibility

Closes #74 (closed), #101 (closed), #107 (closed), #108 (closed), #111 (closed), #112 (closed), #117 (closed)

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