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    cbb056e5
    state: Add subsystem to write out metfrag config and spec files. · cbb056e5
    Todor Kondić authored
    * state (base_conf): Update. Decorates the return object with class
    `state'. New class `state'.
    (get_metfrag_targets, metfrag_on_state): New functions.
    (write_metfrag_config): Update. Add checks for ion_mz and adduct not
    being more, or less than one. Also, make filenames nicer and fix the
    spectral separator.
    
    (metfrag_run_many, metfrag_run_many_w_futures): New functions to run
    metfrag.
    
    tests: New tests and snapshots.
    cbb056e5
    History
    state: Add subsystem to write out metfrag config and spec files.
    Todor Kondić authored
    * state (base_conf): Update. Decorates the return object with class
    `state'. New class `state'.
    (get_metfrag_targets, metfrag_on_state): New functions.
    (write_metfrag_config): Update. Add checks for ion_mz and adduct not
    being more, or less than one. Also, make filenames nicer and fix the
    spectral separator.
    
    (metfrag_run_many, metfrag_run_many_w_futures): New functions to run
    metfrag.
    
    tests: New tests and snapshots.
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