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  1. Mar 04, 2023
  2. Feb 13, 2023
  3. Jan 15, 2023
  4. Jan 12, 2023
    • Todor Kondić's avatar
      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
  5. Oct 12, 2022
  6. Sep 30, 2021
    • Todor Kondic's avatar
      api,base,shiny-ui-base: Fix #86 · 73c26f50
      Todor Kondic authored
      Values and units have not been read in the GUI template correctly. Now
      fixed.
      
      * app<numeric/unit inputs>: Updated. Read in values/units properly.
      
      * base(get_val_unit): New exported function.
      
      * shiny-ui-base<everything related to order_summ table>: Commented
      out. Too unstable for now.
  7. May 10, 2021
  8. Apr 02, 2021
  9. Feb 13, 2020
  10. Jan 31, 2020
  11. Nov 26, 2019
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