Commits · 037805622f8535d7715a99928c7a5dcdc00bf165 · Environmental Cheminformatics / shinyscreen · GitLab

Snippets Groups Projects

Apr 16, 2023
- Start adding structure for MS2 extraction. · 03780562
  Todor Kondić authored 2 years ago
  
  03780562
- Changed isofine to precid. · 07444a47
  Todor Kondić authored 2 years ago
  
  07444a47
- make_db_precursors: Add file handling. · 0e370fc5
  Todor Kondić authored 2 years ago
  
  0e370fc5
Mar 09, 2023
- data-model: make_db_catalogue: Calculation of rt interval. · 5f70a04a
  Todor Kondić authored 2 years ago
  
  5f70a04a
- extr_data: Begin cleaning up `extr_data'. · e09d1a78
  Todor Kondić authored 2 years ago
  
  e09d1a78
- data-model: make_db_precursors: Group "fine" and "coarse" isobars. · 7b1aad34
  Todor Kondić authored 2 years ago
  
  7b1aad34
- db: New stage for generation of the database. · a3a6adf7
  Todor Kondić authored 2 years ago
  
  a3a6adf7
Mar 08, 2023
- new_runtime_state: Stop it from complaining about existing `metfrag' dir. · dcc3f99e
  Todor Kondić authored 2 years ago
  
  dcc3f99e
- norm_path: Stop it from complaining about non-existing paths when path = "". · 0f772b2a
  Todor Kondić authored 2 years ago
  
  0f772b2a
- Eliminate internal labelling of individual compound lists. · f48201c1
  Todor Kondić authored 2 years ago
  
  This was causing unnecessary trouble with loading inputs when running the command line.
  f48201c1
Mar 05, 2023
- Fun unpack_app_state changes gui$paths$data to absolute path now (otherwise... · c3e74af2
  Todor Kondić authored 2 years ago
  
  Fun unpack_app_state changes gui$paths$data to absolute path now (otherwise dfile_list is not immediately filled).
  c3e74af2
- Fun process_cmpd_sets correctly "slugifies" filenames. · c0ec5dc9
  Todor Kondić authored 2 years ago
  
  c0ec5dc9
- Sets are read from compound lists, or created based on the file name. · 2eb43aed
  Todor Kondić authored 2 years ago
  
  2eb43aed
Mar 04, 2023
- Functions get_fname_slug and uniqy_slugs generate keys based on filenames. · d11926e7
  Todor Kondić authored 2 years ago
  
  d11926e7
Mar 03, 2023
- Remove `compounds$sets' everywhere. · bd783321
  Todor Kondić authored 2 years ago
  
  bd783321
- Remove main bits of setid table processing. · 1257b85a
  Todor Kondić authored 2 years ago
  
  1257b85a
- Removing some cruft. · 1d41c576
  Todor Kondić authored 2 years ago
  
  1d41c576
Feb 28, 2023
- Use datatab_update_tags and datatab_add_files to define datatab creation. · 2c1d9cff
  Todor Kondić authored 2 years ago
  
  2c1d9cff
Feb 27, 2023
- datatab_update_tags: Merge old and new tags correctly. · 5633ea36
  Todor Kondić authored 2 years ago
  
  5633ea36
- Remove tag_to_assoc. · c060ec8f
  Todor Kondić authored 2 years ago
  
  c060ec8f
- Reroute file/tag modification to filetag gui entry. · bd2d1bd4
  Todor Kondić authored 2 years ago
  
  bd2d1bd4
- Try to set proper default values for tag_sets_list and tag_adducts_list. · 53cfda9f
  Todor Kondić authored 2 years ago
  
  53cfda9f
- shiny-state: A gui entry filetagtab keeps track of file/tag associations. · 774d3fbc
  Todor Kondić authored 2 years ago
  
  774d3fbc
- app_project, shiny-ui-base: Add controls for tag/adduct/file association. · 9491b36c
  Todor Kondić authored 2 years ago
  
  9491b36c
Feb 25, 2023
- shiny-ui-base: Adapt to no_structure_plots option. · feae3bac
  Todor Kondić authored 2 years ago
  
  feae3bac
- envopts: seal_envopts: Update. · 4764d817
  Todor Kondić authored 2 years ago
  
  4764d817
- envopts: Add no_structure_plots option. · fb338304
  Todor Kondić authored 2 years ago
  
  fb338304
Feb 21, 2023
- shiny-ui-base: dwn_proj_b: Created output. · 2b4259c7
  Todor Kondić authored 2 years ago
  
  * state(pack_project): New function. * tests: New tests.
  2b4259c7
- api: extr_data_serial: Update. Disable multiple extracted state backups. · a8889c5f
  Todor Kondić authored 2 years ago
  
  a8889c5f
- api: extract: Update. Disable multiple extracted state backups. · eadf01e7
  Todor Kondić authored 2 years ago
  
  eadf01e7
- shiny-ui-base: Fix isolation in entry_mf_summ output. · 73b47a1f
  Todor Kondić authored 2 years ago
  
  73b47a1f
Feb 19, 2023
- all: Update docstrings. · 83c0649d
  Todor Kondić authored 2 years ago
  
  83c0649d
- all: db_path -> db_dir · 7969748d
  Todor Kondić authored 2 years ago
  
  7969748d
Feb 18, 2023
- api, envopts: Update configuration handling. · fe02331d
  Todor Kondić authored 2 years ago
  
  Also, adapt code affected by this elsewhere.
  fe02331d
Feb 17, 2023
- ... · 942ee51a
  Todor Kondić authored 2 years ago
  
  942ee51a
Feb 16, 2023
- api, app: Make paths more flexible. · 5a44d34b
  Todor Kondić authored 2 years ago
  
  5a44d34b
Feb 13, 2023
- tests: Adapt to changes. · 7a58210e
  Todor Kondić authored 2 years ago
  
  7a58210e
- base, metfrag, shiny-ui-base, app_results_explorer_cindex: Updated. · 134c8483
  Todor Kondić authored 2 years ago
  
  134c8483
Feb 12, 2023
- app: Single entry MetFrag · 2ec11afd
  Todor Kondić authored 2 years ago
  
  2ec11afd
- app: shiny-*: Refactor config updates. · 339e84a2
  Todor Kondić authored 2 years ago
  
  339e84a2