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    e8d5aef7
    Add functions for writing MetFrag config files. · e8d5aef7
    Todor Kondić authored
    * base.R (write_keyval_file): New function.
    
    * resources.R (METFRAG_ADDUCT_SWITCHES): Fix a typo.
    
    * state.R (new_runtime_state): Update results with the new field
    `subpaths'. Also, opted for relative vs absolute paths, because the
    latter do not play well with tests in (stochastic) temporary
    directories.
    
    (base_conf): Update result to have a class `conf' signature.
    
    (metfrag_conf): Update with new parameters.
    
    (new_conf): Update with a call to `metfrag_conf'.
    
    (write_metfrag_config): New function which writes the MetFrag config
    file.
    
    * tests/testthat/test-metfrag.R: New file with MetFrag tests.
    
    * tests/testthat/_snaps/metfrag.md: New file .
    e8d5aef7
    History
    Add functions for writing MetFrag config files.
    Todor Kondić authored
    * base.R (write_keyval_file): New function.
    
    * resources.R (METFRAG_ADDUCT_SWITCHES): Fix a typo.
    
    * state.R (new_runtime_state): Update results with the new field
    `subpaths'. Also, opted for relative vs absolute paths, because the
    latter do not play well with tests in (stochastic) temporary
    directories.
    
    (base_conf): Update result to have a class `conf' signature.
    
    (metfrag_conf): Update with new parameters.
    
    (new_conf): Update with a call to `metfrag_conf'.
    
    (write_metfrag_config): New function which writes the MetFrag config
    file.
    
    * tests/testthat/test-metfrag.R: New file with MetFrag tests.
    
    * tests/testthat/_snaps/metfrag.md: New file .
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