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  1. Jun 29, 2020
  2. Jun 25, 2020
  3. May 24, 2020
  4. May 22, 2020
  5. May 20, 2020
    • Todor Kondic's avatar
      api, mix, resources, NAMESPACE: Complete comprehensive table generation · 71207124
      Todor Kondic authored
      * R/resources.R(CONF,EMPTY_UNKNOWN,EMPTY_KNOWN): Remove unknown and
        known related parameters. Update the rest accordingly.
      
      * R/mix.R(new_state): Update for multi-compound lists.
      
      * R/api.R(load_compound_input): Update with more column checks.
      
      (load_compound_input): Update with compound list verification.
      
      (verify_compounds): Reduce to checking the existence of files.
      
      NAMESPACE: Update.
  6. May 19, 2020
  7. May 18, 2020
    • Todor Kondic's avatar
      api, base, mix: Enable multiple compound lists · e51e8dc7
      Todor Kondic authored
      Loading only two lists of rigid layout became is a bit
      unflexible. Introducing the option to load instead multiple compound
      lists that must conform to a certain format.
      
      * R/api.R(load_compound_input): Updated. Now reads multiple compound
        CSVs, if provided.
      
      * R/mix.R(read_set_id): Updated.
      
      * R/mix.R(verify_cmpd_l): New function.
      
      * R/resources.R(EMPTY_CMPD_LIST): New parameter. The layout of a
        compound list.
    • Todor Kondic's avatar
      mix: Add calc_mz_from_smiles · abd2b218
      Todor Kondic authored
      * R/mix.R(calc_mz_from_smiles): New function.
  8. May 17, 2020
  9. May 15, 2020
  10. May 12, 2020
  11. May 11, 2020
  12. May 08, 2020
    • Todor Kondic's avatar
      shiny-ui-config: Adapt server-conf to new reactive functions · f4096a19
      Todor Kondic authored
      * R/shiny-ui-config.R <everywhere>: Adapt to m_conf,m_input_cmpds,
        m_input and m usage.
      
      (rv$m$conf$project): Replaced with rv$project_path
    • Todor Kondic's avatar
      shiny-ui-config: Adapt other reactive functions to state-building ones · fed38d8d
      Todor Kondic authored
      * R/shiny-ui-config.R(gen_cmpd_inputs): Obsolete function removed.
      
      (get_all_sets): Adapt to using the m_input_cmpds function.
    • Todor Kondic's avatar
      shiny-ui-config: Implement reactive state build-up · 9fe92490
      Todor Kondic authored
      From the beginning, the intention was to follow the simple signal
      passing paradigm, where a single state object is being passed from
      function to function. With a GUI this is complicated by continuously
      changing state and in a reactive paradigm of Shiny, additional
      complication arises from inability to distinguish between different
      inputs for the same destination observer, or reactive function.
      
      But, now that the problem has been solved by adding new reactive state
      variables for the project path and the data file control, it was
      possible to emulate the streamlined signal processing flow by adding a
      few new reactive functions.
      
      Here they are.
      
      * R/shiny-ui-config.R(m_conf,m_input,m): New reactive functions. Each
        builds its part of the m object. Each calls the preceeding one.
    • Todor Kondic's avatar
      Clean up · c6acabe8
      Todor Kondic authored
    • Todor Kondic's avatar
      Clean up · 756ae22e
      Todor Kondic authored
    • Todor Kondic's avatar
      shiny-ui-config: Add new inputs and outputs for data files · d5f0ff2b
      Todor Kondic authored
      * R/shiny-ui-config.R(mk_ui_config): New output fnDataFilesCtrl. New
        button impDataFilesB.
      
      <shinyFiles observers>: New observer impDataFilesB
      
      <restore-conf>: Do not modify the rv state for all conf
      parameters. Instead, just do that for rv$m$conf$project. The rest will
      be taken care of in <build-config>.
      
      Also, update the new `datafiles' input.
      
      <update-files-on-restore>: Add dependency on rv$m$input$tab$setid.
      
      <build-config>: Update rv$m$conf$data from the new input.
      
      <fnDataFilesCtrl>: New render.
    • Todor Kondic's avatar
      ... · f52e8964
      Todor Kondic authored
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