- Jun 29, 2020
-
-
Todor Kondic authored
* R/api.R(extr_data): New function. Its job will be to extract MS1 and MS2 spectra, as well as to store them in m$out$tab$data data table. * NAMESPACE: Update.
-
- Jun 25, 2020
-
-
Todor Kondic authored
-
- May 24, 2020
-
-
Todor Kondic authored
-
- May 22, 2020
-
-
Todor Kondic authored
R/base.R(file2tab): Updated. Different NA defaults.
-
Todor Kondic authored
-
Todor Kondic authored
-
Todor Kondic authored
* R/base.R(gen_uniq_lab): New function. * R/mix.R(read_conf): Moved from api.R and updated. Now generates random names for the files in compound lists. This was needed because in its reactive form, a list of reactives needs names. * R/resources.R(EMPTY_CONF): New parameter. Skeleton conf object.
-
Todor Kondic authored
* R/api.R(read_conf): Remove it from api.R .
-
- May 20, 2020
-
-
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.
-
- May 19, 2020
-
-
Todor Kondic authored
-
- May 18, 2020
-
-
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 authored
* R/mix.R(calc_mz_from_smiles): New function.
-
- May 17, 2020
-
-
Todor Kondic authored
* resources.R(ADDUCTS,ISOTOPES): New parameters. Reimports of enviPat data. * mix.R(calc_mz_from_smiles): New function. Inspired by one of the RChemMass functions.
-
Todor Kondic authored
* resources.R(ADDUCTMAP): Updated.
-
Todor Kondic authored
* extraction.R(gen_mz_range,gen_rt_range): Updated. Rownames are not IDs anymore. (gen_ms1_chrom): Updated.
-
- May 15, 2020
-
-
Todor Kondic authored
-
- May 12, 2020
-
-
Todor Kondic authored
* R/shiny-ui-top.R(launch): Update.
-
Todor Kondic authored
* R/api.R(run): Update function.
-
Todor Kondic authored
* R/api.R(mk_tol_funcs): New function.
-
Todor Kondic authored
* R/api.R(concurrency): New function. * R/resources.R(NO_WORKERS): New parameter.
-
Todor Kondic authored
* R/api.R(run): Update.
-
- May 11, 2020
-
-
Todor Kondic authored
* R/extraction.R(centroided1,centroided): New functions.
-
Todor Kondic authored
R/shiny-ui-top(mk_shinyscreen): Add server_gen to server.
-
Todor Kondic authored
* R/shiny-ui-gen.R(server-gen): New observer. This one is to test the workflow.
-
Todor Kondic authored
* R/shiny-ui-config.R(mzml2disp): Consider set mismatch case.
-
Todor Kondic authored
* R/shiny-ui-config.R <update-files-on-mzmlb>: Drop unnecessary lines.
-
Todor Kondic authored
* R/resources.R(TAG_DEF,TAG_NA,SET_NA): Add _NA tags to represent NA in tag and set columns of the data table control and define TAG_DEF in terms of TAG_NA. (COMP_NAME_FIRST): Order of columns in the comprehensive table.
-
Todor Kondic authored
* R/mix.R(add_wd_to_mzml_old): Removed.
-
Todor Kondic authored
* R/mix.R(gen_sup_ftab): Removed. (add_wd_to_mzml): Updated.
-
Todor Kondic authored
* R/api.R(load_compound_input,load_data_input): Exported. NAMESPACE: Updated.
-
Todor Kondic authored
* R/api.R(gen_base_ftab): Remove. Function mk_comp_tab took over. * NAMESPACE: Update.
-
Todor Kondic authored
* R/api.R(mk_comp_tab): More data.table friendly.
-
Todor Kondic authored
* R/api.R(load_compound_input): Works properly if tables are not truthy.
-
- May 08, 2020
-
-
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$project_path
-
Todor Kondic authored
* R/shiny-ui-config.R(gen_cmpd_inputs): Obsolete function removed. (get_all_sets): Adapt to using the m_input_cmpds function.
-
Todor Kondic authored
From the beginning, the intention was to follow the simple signal passing paradigm, where a single state object is being passed from function to function. With a GUI this is complicated by continuously changing state and in a reactive paradigm of Shiny, additional complication arises from inability to distinguish between different inputs for the same destination observer, or reactive function. But, now that the problem has been solved by adding new reactive state variables for the project path and the data file control, it was possible to emulate the streamlined signal processing flow by adding a few new reactive functions. Here they are. * R/shiny-ui-config.R(m_conf,m_input,m): New reactive functions. Each builds its part of the m object. Each calls the preceeding one.
-
Todor Kondic authored
-
Todor Kondic authored
-
Todor Kondic authored
* R/shiny-ui-config.R(mk_ui_config): New output fnDataFilesCtrl. New button impDataFilesB. <shinyFiles observers>: New observer impDataFilesB <restore-conf>: Do not modify the rv state for all conf parameters. Instead, just do that for rv$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 authored
-