diff --git a/debian/changelog b/debian/changelog index 0efe3267c2410b0f3bccb5a9f0b640c4462d4838..1c6cfaa03d224851b64c3653ce9c8a4c7272e1c3 100644 --- a/debian/changelog +++ b/debian/changelog @@ -1,3 +1,9 @@ +xtpcpp (0.1.20-2) stretch; urgency=medium + + * tandem parameter form hardened + + -- Olivier Langella <olivier.langella@u-psud.fr> Sun, 15 Oct 2017 20:32:27 +0200 + xtpcpp (0.1.20-1) stretch; urgency=medium * tandem parameters editor diff --git a/src/gui/edit_tandem_preset_dialog/edittandempresetdialog.cpp b/src/gui/edit_tandem_preset_dialog/edittandempresetdialog.cpp index 409946ef5442f3eca82ec7db044a17bf44a6b531..88f67be1eddbf978c411ffd70873e96e7571ffd5 100644 --- a/src/gui/edit_tandem_preset_dialog/edittandempresetdialog.cpp +++ b/src/gui/edit_tandem_preset_dialog/edittandempresetdialog.cpp @@ -30,6 +30,7 @@ #include "edittandempresetdialog.h" #include <QDebug> #include <pappsomspp/pappsoexception.h> +#include <pappsomspp/exception/exceptionnotfound.h> #include "ui_edit_tandem_preset_dialog.h" #include <QSettings> @@ -632,328 +633,336 @@ void EditTandemPresetDialog::readUi() { void EditTandemPresetDialog::populate() { qDebug() << "EditTandemPresetDialog::populate begin"; - ui->method_name_line_edit->setText(_tandem_params.getMethodName()); - /* - * <note type="input" label="spectrum, parent monoisotopic mass error units">ppm</note> - * */ - ui->spmmeu_daltons_radio_button->setChecked(true); - ui->spmmeu_ppm_radio_button->setChecked(false); - if ( _tandem_params.getValue("spectrum, parent monoisotopic mass error units") == "ppm" ) { // -1 for not found - ui->spmmeu_daltons_radio_button->setChecked(false); - ui->spmmeu_ppm_radio_button->setChecked(true); - } - //<note type="input" label="spectrum, parent monoisotopic mass error minus">10</note> - ui->parent_ion_lower_window_edit->setText(_tandem_params.getValue("spectrum, parent monoisotopic mass error minus")); - //<note type="input" label="spectrum, parent monoisotopic mass error plus">10</note> - ui->parent_ion_upper_window_edit->setText(_tandem_params.getValue("spectrum, parent monoisotopic mass error plus")); - //<note type="input" label="spectrum, parent monoisotopic mass isotope error">yes</note> - ui->spmmie_yes_radio_button->setChecked(true); - ui->spmmie_no_radio_button->setChecked(false); - if ( _tandem_params.getValue("spectrum, parent monoisotopic mass isotope error") == "no" ) { // -1 for not found - ui->spmmie_yes_radio_button->setChecked(false); - ui->spmmie_no_radio_button->setChecked(true); - } - //<note type="input" label="spectrum, maximum parent charge">4</note> - ui->smpc_edit->setText(_tandem_params.getValue("spectrum, maximum parent charge")); - - //<note type="input" label="spectrum, fragment mass type">monoisotopic</note> - auto index = ui->sfmt_combo_box->findText("monoisotopic"); - if ( index != -1 ) { // -1 for not found - ui->sfmt_combo_box->setCurrentIndex(index); - } - //<note type="input" label="spectrum, fragment monoisotopic mass error units">Daltons</note> - ui->sfmmeu_daltons_radio_button->setChecked(true); - ui->sfmmeu_ppm_radio_button->setChecked(false); - if ( _tandem_params.getValue("spectrum, fragment monoisotopic mass error units") == "ppm" ) { // -1 for not found - ui->sfmmeu_daltons_radio_button->setChecked(false); - ui->sfmmeu_ppm_radio_button->setChecked(true); - } - - //<note type="input" label="spectrum, fragment monoisotopic mass error">0.02</note> - ui->sfmme_edit->setText(_tandem_params.getValue("spectrum, fragment monoisotopic mass error")); - - - //<note type="input" label="spectrum, use neutral loss window">yes</note> - ui->sunlw_yes_radio_button->setChecked(true); - ui->sunlw_no_radio_button->setChecked(false); - if ( _tandem_params.getValue("spectrum, use neutral loss window") == "no" ) { // -1 for not found - ui->sunlw_yes_radio_button->setChecked(false); - ui->sunlw_no_radio_button->setChecked(true); - } - - //<note type="input" label="spectrum, dynamic range">100.0</note> - ui->sdr_edit->setText(_tandem_params.getValue("spectrum, dynamic range")); - - //<note type="input" label="spectrum, total peaks">100</note> - ui->stp_edit->setText(_tandem_params.getValue("spectrum, total peaks")); - - ui->smp_edit->setText(_tandem_params.getValue("spectrum, minimum peaks")); - - - //<note type="input" label="spectrum, minimum fragment mz">150.0</note> - ui->smfmz_edit->setText(_tandem_params.getValue("spectrum, minimum fragment mz")); - //<note type="input" label="spectrum, minimum parent m+h">500.0</note> - ui->smpmh_edit->setText(_tandem_params.getValue("spectrum, minimum parent m+h")); + try { + ui->method_name_line_edit->setText(_tandem_params.getMethodName()); + /* + * <note type="input" label="spectrum, parent monoisotopic mass error units">ppm</note> + * */ + ui->spmmeu_daltons_radio_button->setChecked(true); + ui->spmmeu_ppm_radio_button->setChecked(false); + if ( _tandem_params.getValue("spectrum, parent monoisotopic mass error units") == "ppm" ) { // -1 for not found + ui->spmmeu_daltons_radio_button->setChecked(false); + ui->spmmeu_ppm_radio_button->setChecked(true); + } + //<note type="input" label="spectrum, parent monoisotopic mass error minus">10</note> + ui->parent_ion_lower_window_edit->setText(_tandem_params.getValue("spectrum, parent monoisotopic mass error minus")); + //<note type="input" label="spectrum, parent monoisotopic mass error plus">10</note> + ui->parent_ion_upper_window_edit->setText(_tandem_params.getValue("spectrum, parent monoisotopic mass error plus")); + //<note type="input" label="spectrum, parent monoisotopic mass isotope error">yes</note> + ui->spmmie_yes_radio_button->setChecked(true); + ui->spmmie_no_radio_button->setChecked(false); + if ( _tandem_params.getValue("spectrum, parent monoisotopic mass isotope error") == "no" ) { // -1 for not found + ui->spmmie_yes_radio_button->setChecked(false); + ui->spmmie_no_radio_button->setChecked(true); + } + //<note type="input" label="spectrum, maximum parent charge">4</note> + ui->smpc_edit->setText(_tandem_params.getValue("spectrum, maximum parent charge")); - //<note type="input" label="spectrum, sequence batch size">1000</note> - ui->spsbs_edit->setText(_tandem_params.getValue("spectrum, sequence batch size")); - //<note type="input" label="spectrum, use contrast angle">no</note> - ui->suca_yes_radio_button->setChecked(true); - ui->suca_no_radio_button->setChecked(false); - if ( _tandem_params.getValue("spectrum, use contrast angle") == "no" ) { // -1 for not found - ui->suca_yes_radio_button->setChecked(false); - ui->suca_no_radio_button->setChecked(true); - } + //<note type="input" label="spectrum, fragment mass type">monoisotopic</note> + auto index = ui->sfmt_combo_box->findText("monoisotopic"); + if ( index != -1 ) { // -1 for not found + ui->sfmt_combo_box->setCurrentIndex(index); + } + //<note type="input" label="spectrum, fragment monoisotopic mass error units">Daltons</note> + ui->sfmmeu_daltons_radio_button->setChecked(true); + ui->sfmmeu_ppm_radio_button->setChecked(false); + if ( _tandem_params.getValue("spectrum, fragment monoisotopic mass error units") == "ppm" ) { // -1 for not found + ui->sfmmeu_daltons_radio_button->setChecked(false); + ui->sfmmeu_ppm_radio_button->setChecked(true); + } + //<note type="input" label="spectrum, fragment monoisotopic mass error">0.02</note> + ui->sfmme_edit->setText(_tandem_params.getValue("spectrum, fragment monoisotopic mass error")); - //<note type="input" label="spectrum, threads">1</note> - ui->st_edit->setText(_tandem_params.getValue("spectrum, threads")); + //<note type="input" label="spectrum, use neutral loss window">yes</note> + ui->sunlw_yes_radio_button->setChecked(true); + ui->sunlw_no_radio_button->setChecked(false); + if ( _tandem_params.getValue("spectrum, use neutral loss window") == "no" ) { // -1 for not found + ui->sunlw_yes_radio_button->setChecked(false); + ui->sunlw_no_radio_button->setChecked(true); + } - //<note type="input" label="protein, cleavage site">[RK]|{P}</note> - ui->pcs_edit->setText(_tandem_params.getValue("protein, cleavage site")); - //<note type="input" label="protein, cleavage semi">no</note> - ui->pcsemi_yes_radio_button->setChecked(true); - ui->pcsemi_no_radio_button->setChecked(false); - if ( _tandem_params.getValue("protein, cleavage semi") == "no" ) { // -1 for not found - ui->pcsemi_yes_radio_button->setChecked(false); - ui->pcsemi_no_radio_button->setChecked(true); - } - - - //<note type="input" label="protein, cleavage C-terminal mass change">+17.00305</note> - ui->pcctmc_edit->setText(_tandem_params.getValue("protein, cleavage C-terminal mass change")); - //<note type="input" label="protein, cleavage N-terminal mass change">+1.00794</note> - ui->pcntmc_edit->setText(_tandem_params.getValue("protein, cleavage N-terminal mass change")); - - //<note type="input" label="protein, C-terminal residue modification mass">0.0</note> - ui->pctrmm_edit->setText(_tandem_params.getValue("protein, C-terminal residue modification mass")); - //<note type="input" label="protein, N-terminal residue modification mass">0.0</note> - ui->pntrmm_edit->setText(_tandem_params.getValue("protein, N-terminal residue modification mass")); - - //<note type="input" label="protein, quick acetyl">yes</note> - ui->pqa_yes_radio_button->setChecked(true); - ui->pqa_no_radio_button->setChecked(false); - if ( _tandem_params.getValue("protein, quick acetyl") == "no" ) { // -1 for not found - ui->pqa_yes_radio_button->setChecked(false); - ui->pqa_no_radio_button->setChecked(true); - } - - //<note type="input" label="protein, quick pyrolidone">yes</note> - ui->pqp_yes_radio_button->setChecked(true); - ui->pqp_no_radio_button->setChecked(false); - if ( _tandem_params.getValue("protein, quick pyrolidone") == "no" ) { // -1 for not found - ui->pqp_yes_radio_button->setChecked(false); - ui->pqp_no_radio_button->setChecked(true); - } - - - //<note type="input" label="protein, stP bias">yes</note> - ui->pstpb_yes_radio_button->setChecked(true); - ui->pstpb_no_radio_button->setChecked(false); - if ( _tandem_params.getValue("protein, stP bias") == "no" ) { // -1 for not found - ui->pstpb_yes_radio_button->setChecked(false); - ui->pstpb_no_radio_button->setChecked(true); - } - - //<note type="input" label="protein, modified residue mass file"></note> - ui->pmrmf_edit->setText(_tandem_params.getValue("protein, modified residue mass file")); - - //<note type="input" label="residue, modification mass">57.02146@C</note> - ui->rmm_edit->setText(_tandem_params.getValue("residue, modification mass")); - - //<note type="input" label="residue, modification mass 1"></note> - ui->rmm1_edit->setText(_tandem_params.getValue("residue, modification mass 1")); - //<note type="input" label="residue, modification mass 2"></note> - ui->rmm2_edit->setText(_tandem_params.getValue("residue, modification mass 2")); - - - //<note type="input" label="residue, potential modification mass">15.99491@M</note> - ui->rpmm_edit->setText(_tandem_params.getValue("residue, potential modification mass")); - //<note type="input" label="residue, potential modification mass 1"></note> - ui->rpmm1_edit->setText(_tandem_params.getValue("residue, potential modification mass 1")); - //<note type="input" label="residue, potential modification mass 2"></note> - ui->rpmm2_edit->setText(_tandem_params.getValue("residue, potential modification mass 2")); - //<note type="input" label="residue, potential modification motif"></note> - ui->rpmmotif_edit->setText(_tandem_params.getValue("residue, potential modification motif")); - //<note type="input" label="residue, potential modification motif 1"></note> - ui->rpmmotif1_edit->setText(_tandem_params.getValue("residue, potential modification motif 1")); - //<note type="input" label="residue, potential modification motif 2"></note> - ui->rpmmotif2_edit->setText(_tandem_params.getValue("residue, potential modification motif 2")); - - //<note type="input" label="scoring, minimum ion count">4</note> - ui->smic_edit->setText(_tandem_params.getValue("scoring, minimum ion count")); - //<note type="input" label="scoring, maximum missed cleavage sites">1</note> - ui->smmcs_edit->setText(_tandem_params.getValue("scoring, maximum missed cleavage sites")); - //<note type="input" label="scoring, cyclic permutation">yes</note> - ui->scp_yes_radio_button->setChecked(true); - ui->scp_no_radio_button->setChecked(false); - if ( _tandem_params.getValue("scoring, cyclic permutation") == "no" ) { // -1 for not found - ui->scp_yes_radio_button->setChecked(false); - ui->scp_no_radio_button->setChecked(true); - } - //<note type="input" label="scoring, include reverse">yes</note> - ui->sir_yes_radio_button->setChecked(true); - ui->sir_no_radio_button->setChecked(false); - if ( _tandem_params.getValue("scoring, include reverse") == "no" ) { // -1 for not found - ui->sir_yes_radio_button->setChecked(false); - ui->sir_no_radio_button->setChecked(true); - } - //<note type="input" label="scoring, y ions">yes</note> - ui->syi_yes_radio_button->setChecked(true); - ui->syi_no_radio_button->setChecked(false); - if ( _tandem_params.getValue("scoring, y ions") == "no" ) { // -1 for not found - ui->syi_yes_radio_button->setChecked(false); - ui->syi_no_radio_button->setChecked(true); - } - //<note type="input" label="scoring, b ions">yes</note> - ui->sbi_yes_radio_button->setChecked(true); - ui->sbi_no_radio_button->setChecked(false); - if ( _tandem_params.getValue("scoring, b ions") == "no" ) { // -1 for not found - ui->sbi_yes_radio_button->setChecked(false); - ui->sbi_no_radio_button->setChecked(true); - } - //<note type="input" label="scoring, c ions">no</note> - ui->sci_yes_radio_button->setChecked(true); - ui->sci_no_radio_button->setChecked(false); - if ( _tandem_params.getValue("scoring, c ions") == "no" ) { // -1 for not found - ui->sci_yes_radio_button->setChecked(false); - ui->sci_no_radio_button->setChecked(true); - } - //<note type="input" label="scoring, z ions">no</note> - ui->szi_yes_radio_button->setChecked(true); - ui->szi_no_radio_button->setChecked(false); - if ( _tandem_params.getValue("scoring, z ions") == "no" ) { // -1 for not found - ui->szi_yes_radio_button->setChecked(false); - ui->szi_no_radio_button->setChecked(true); - } - //<note type="input" label="scoring, a ions">no</note> - ui->sai_yes_radio_button->setChecked(true); - ui->sai_no_radio_button->setChecked(false); - if ( _tandem_params.getValue("scoring, a ions") == "no" ) { // -1 for not found - ui->sai_yes_radio_button->setChecked(false); - ui->sai_no_radio_button->setChecked(true); - } - //<note type="input" label="scoring, x ions">no</note> - ui->sxi_yes_radio_button->setChecked(true); - ui->sxi_no_radio_button->setChecked(false); - if ( _tandem_params.getValue("scoring, x ions") == "no" ) { // -1 for not found - ui->sxi_yes_radio_button->setChecked(false); - ui->sxi_no_radio_button->setChecked(true); - } - - - //<note type="input" label="refine">yes</note> - ui->refine_yes_radio_button->setChecked(true); - ui->refine_no_radio_button->setChecked(false); - if ( _tandem_params.getValue("refine") == "no" ) { // -1 for not found - ui->refine_yes_radio_button->setChecked(false); - ui->refine_no_radio_button->setChecked(true); - } - //<note type="input" label="refine, maximum valid expectation value">0.01</note> - ui->rmvev_edit->setText(_tandem_params.getValue("refine, maximum valid expectation value")); - - //<note type="input" label="refine, potential N-terminus modifications">+42.01056@[</note> - ui->refpntm_edit->setText(_tandem_params.getValue("refine, potential N-terminus modifications")); - //<note type="input" label="refine, potential C-terminus modifications"></note> - ui->refpctm_edit->setText(_tandem_params.getValue("refine, potential C-terminus modifications")); - //<note type="input" label="refine, modification mass">57.02146@C</note> - ui->refmm_edit->setText(_tandem_params.getValue("refine, modification mass")); - //<note type="input" label="refine, modification mass 1"></note> - ui->refmm1_edit->setText(_tandem_params.getValue("refine, modification mass 1")); - //<note type="input" label="refine, modification mass 2"></note> - ui->refmm2_edit->setText(_tandem_params.getValue("refine, modification mass 2")); - //<note type="input" label="refine, potential modification mass">15.99491@M</note> - ui->refpmm_edit->setText(_tandem_params.getValue("refine, potential modification mass")); - //<note type="input" label="refine, potential modification mass 1"></note> - ui->refpmm1_edit->setText(_tandem_params.getValue("refine, potential modification mass 1")); - //<note type="input" label="refine, potential modification mass 2"></note> - ui->refpmm2_edit->setText(_tandem_params.getValue("refine, potential modification mass 2")); - //<note type="input" label="refine, potential modification motif"></note> - ui->refpmmotif_edit->setText(_tandem_params.getValue("refine, potential modification motif")); - //<note type="input" label="refine, potential modification motif 1"></note> - ui->refpmmotif1_edit->setText(_tandem_params.getValue("refine, potential modification motif 1")); - //<note type="input" label="refine, potential modification motif 2"></note> - ui->refpmmotif2_edit->setText(_tandem_params.getValue("refine, potential modification motif 2")); - //<note type="input" label="refine, use potential modifications for full refinement">yes</note> - ui->rupmffr_yes_radio_button->setChecked(true); - ui->rupmffr_no_radio_button->setChecked(false); - if ( _tandem_params.getValue("refine, use potential modifications for full refinement") == "no" ) { // -1 for not found - ui->rupmffr_yes_radio_button->setChecked(false); - ui->rupmffr_no_radio_button->setChecked(true); - } - //<note type="input" label="refine, cleavage semi">no</note> - ui->rcsemi_yes_radio_button->setChecked(true); - ui->rcsemi_no_radio_button->setChecked(false); - if ( _tandem_params.getValue("refine, cleavage semi") == "no" ) { // -1 for not found - ui->rcsemi_yes_radio_button->setChecked(false); - ui->rcsemi_no_radio_button->setChecked(true); - } - //<note type="input" label="refine, unanticipated cleavage">no</note> - ui->ruc_yes_radio_button->setChecked(true); - ui->ruc_no_radio_button->setChecked(false); - if ( _tandem_params.getValue("refine, unanticipated cleavage") == "no" ) { // -1 for not found - ui->ruc_yes_radio_button->setChecked(false); - ui->ruc_no_radio_button->setChecked(true); - } - //<note type="input" label="refine, spectrum synthesis">yes</note> - ui->rss_yes_radio_button->setChecked(true); - ui->rss_no_radio_button->setChecked(false); - if ( _tandem_params.getValue("refine, spectrum synthesis") == "no" ) { // -1 for not found - ui->rss_yes_radio_button->setChecked(false); - ui->rss_no_radio_button->setChecked(true); - } - //<note type="input" label="refine, point mutations">no</note> - ui->rpm_yes_radio_button->setChecked(true); - ui->rpm_no_radio_button->setChecked(false); - if ( _tandem_params.getValue("refine, point mutations") == "no" ) { // -1 for not found - ui->rpm_yes_radio_button->setChecked(false); - ui->rpm_no_radio_button->setChecked(true); - } - - - //<note type="input" label="output, maximum valid expectation value">0.05</note> - ui->omvev_edit->setText(_tandem_params.getValue("output, maximum valid expectation value")); - //<note type="input" label="output, maximum valid protein expectation value">0.05</note> - ui->omvpev_edit->setText(_tandem_params.getValue("output, maximum valid protein expectation value")); - //<note type="input" label="output, results">valid</note> - ui->oresu_all_radio_button->setChecked(false); - ui->oresu_valid_radio_button->setChecked(true); - ui->oresu_stochastic_radio_button->setChecked(false); - if ( _tandem_params.getValue("output, results") == "all" ) { // -1 for not found - ui->oresu_all_radio_button->setChecked(true); - ui->oresu_valid_radio_button->setChecked(false); + //<note type="input" label="spectrum, dynamic range">100.0</note> + ui->sdr_edit->setText(_tandem_params.getValue("spectrum, dynamic range")); + + //<note type="input" label="spectrum, total peaks">100</note> + ui->stp_edit->setText(_tandem_params.getValue("spectrum, total peaks")); + + ui->smp_edit->setText(_tandem_params.getValue("spectrum, minimum peaks")); + + + //<note type="input" label="spectrum, minimum fragment mz">150.0</note> + ui->smfmz_edit->setText(_tandem_params.getValue("spectrum, minimum fragment mz")); + //<note type="input" label="spectrum, minimum parent m+h">500.0</note> + ui->smpmh_edit->setText(_tandem_params.getValue("spectrum, minimum parent m+h")); + + //<note type="input" label="spectrum, sequence batch size">1000</note> + ui->spsbs_edit->setText(_tandem_params.getValue("spectrum, sequence batch size")); + //<note type="input" label="spectrum, use contrast angle">no</note> + ui->suca_yes_radio_button->setChecked(true); + ui->suca_no_radio_button->setChecked(false); + if ( _tandem_params.getValue("spectrum, use contrast angle") == "no" ) { // -1 for not found + ui->suca_yes_radio_button->setChecked(false); + ui->suca_no_radio_button->setChecked(true); + } + + + //<note type="input" label="spectrum, threads">1</note> + ui->st_edit->setText(_tandem_params.getValue("spectrum, threads")); + + + //<note type="input" label="protein, cleavage site">[RK]|{P}</note> + ui->pcs_edit->setText(_tandem_params.getValue("protein, cleavage site")); + //<note type="input" label="protein, cleavage semi">no</note> + ui->pcsemi_yes_radio_button->setChecked(true); + ui->pcsemi_no_radio_button->setChecked(false); + if ( _tandem_params.getValue("protein, cleavage semi") == "no" ) { // -1 for not found + ui->pcsemi_yes_radio_button->setChecked(false); + ui->pcsemi_no_radio_button->setChecked(true); + } + + + //<note type="input" label="protein, cleavage C-terminal mass change">+17.00305</note> + ui->pcctmc_edit->setText(_tandem_params.getValue("protein, cleavage C-terminal mass change")); + //<note type="input" label="protein, cleavage N-terminal mass change">+1.00794</note> + ui->pcntmc_edit->setText(_tandem_params.getValue("protein, cleavage N-terminal mass change")); + + //<note type="input" label="protein, C-terminal residue modification mass">0.0</note> + ui->pctrmm_edit->setText(_tandem_params.getValue("protein, C-terminal residue modification mass")); + //<note type="input" label="protein, N-terminal residue modification mass">0.0</note> + ui->pntrmm_edit->setText(_tandem_params.getValue("protein, N-terminal residue modification mass")); + + //<note type="input" label="protein, quick acetyl">yes</note> + ui->pqa_yes_radio_button->setChecked(true); + ui->pqa_no_radio_button->setChecked(false); + if ( _tandem_params.getValue("protein, quick acetyl") == "no" ) { // -1 for not found + ui->pqa_yes_radio_button->setChecked(false); + ui->pqa_no_radio_button->setChecked(true); + } + + //<note type="input" label="protein, quick pyrolidone">yes</note> + ui->pqp_yes_radio_button->setChecked(true); + ui->pqp_no_radio_button->setChecked(false); + if ( _tandem_params.getValue("protein, quick pyrolidone") == "no" ) { // -1 for not found + ui->pqp_yes_radio_button->setChecked(false); + ui->pqp_no_radio_button->setChecked(true); + } + + + //<note type="input" label="protein, stP bias">yes</note> + ui->pstpb_yes_radio_button->setChecked(true); + ui->pstpb_no_radio_button->setChecked(false); + if ( _tandem_params.getValue("protein, stP bias") == "no" ) { // -1 for not found + ui->pstpb_yes_radio_button->setChecked(false); + ui->pstpb_no_radio_button->setChecked(true); + } + + //<note type="input" label="protein, modified residue mass file"></note> + ui->pmrmf_edit->setText(_tandem_params.getValue("protein, modified residue mass file")); + + //<note type="input" label="residue, modification mass">57.02146@C</note> + ui->rmm_edit->setText(_tandem_params.getValue("residue, modification mass")); + + //<note type="input" label="residue, modification mass 1"></note> + ui->rmm1_edit->setText(_tandem_params.getValue("residue, modification mass 1")); + //<note type="input" label="residue, modification mass 2"></note> + ui->rmm2_edit->setText(_tandem_params.getValue("residue, modification mass 2")); + + + //<note type="input" label="residue, potential modification mass">15.99491@M</note> + ui->rpmm_edit->setText(_tandem_params.getValue("residue, potential modification mass")); + //<note type="input" label="residue, potential modification mass 1"></note> + ui->rpmm1_edit->setText(_tandem_params.getValue("residue, potential modification mass 1")); + //<note type="input" label="residue, potential modification mass 2"></note> + ui->rpmm2_edit->setText(_tandem_params.getValue("residue, potential modification mass 2")); + //<note type="input" label="residue, potential modification motif"></note> + ui->rpmmotif_edit->setText(_tandem_params.getValue("residue, potential modification motif")); + //<note type="input" label="residue, potential modification motif 1"></note> + ui->rpmmotif1_edit->setText(_tandem_params.getValue("residue, potential modification motif 1")); + //<note type="input" label="residue, potential modification motif 2"></note> + ui->rpmmotif2_edit->setText(_tandem_params.getValue("residue, potential modification motif 2")); + + //<note type="input" label="scoring, minimum ion count">4</note> + ui->smic_edit->setText(_tandem_params.getValue("scoring, minimum ion count")); + //<note type="input" label="scoring, maximum missed cleavage sites">1</note> + ui->smmcs_edit->setText(_tandem_params.getValue("scoring, maximum missed cleavage sites")); + //<note type="input" label="scoring, cyclic permutation">yes</note> + ui->scp_yes_radio_button->setChecked(true); + ui->scp_no_radio_button->setChecked(false); + if ( _tandem_params.getValue("scoring, cyclic permutation") == "no" ) { // -1 for not found + ui->scp_yes_radio_button->setChecked(false); + ui->scp_no_radio_button->setChecked(true); + } + //<note type="input" label="scoring, include reverse">yes</note> + ui->sir_yes_radio_button->setChecked(true); + ui->sir_no_radio_button->setChecked(false); + if ( _tandem_params.getValue("scoring, include reverse") == "no" ) { // -1 for not found + ui->sir_yes_radio_button->setChecked(false); + ui->sir_no_radio_button->setChecked(true); + } + //<note type="input" label="scoring, y ions">yes</note> + ui->syi_yes_radio_button->setChecked(true); + ui->syi_no_radio_button->setChecked(false); + if ( _tandem_params.getValue("scoring, y ions") == "no" ) { // -1 for not found + ui->syi_yes_radio_button->setChecked(false); + ui->syi_no_radio_button->setChecked(true); + } + //<note type="input" label="scoring, b ions">yes</note> + ui->sbi_yes_radio_button->setChecked(true); + ui->sbi_no_radio_button->setChecked(false); + if ( _tandem_params.getValue("scoring, b ions") == "no" ) { // -1 for not found + ui->sbi_yes_radio_button->setChecked(false); + ui->sbi_no_radio_button->setChecked(true); + } + //<note type="input" label="scoring, c ions">no</note> + ui->sci_yes_radio_button->setChecked(true); + ui->sci_no_radio_button->setChecked(false); + if ( _tandem_params.getValue("scoring, c ions") == "no" ) { // -1 for not found + ui->sci_yes_radio_button->setChecked(false); + ui->sci_no_radio_button->setChecked(true); + } + //<note type="input" label="scoring, z ions">no</note> + ui->szi_yes_radio_button->setChecked(true); + ui->szi_no_radio_button->setChecked(false); + if ( _tandem_params.getValue("scoring, z ions") == "no" ) { // -1 for not found + ui->szi_yes_radio_button->setChecked(false); + ui->szi_no_radio_button->setChecked(true); + } + //<note type="input" label="scoring, a ions">no</note> + ui->sai_yes_radio_button->setChecked(true); + ui->sai_no_radio_button->setChecked(false); + if ( _tandem_params.getValue("scoring, a ions") == "no" ) { // -1 for not found + ui->sai_yes_radio_button->setChecked(false); + ui->sai_no_radio_button->setChecked(true); + } + //<note type="input" label="scoring, x ions">no</note> + ui->sxi_yes_radio_button->setChecked(true); + ui->sxi_no_radio_button->setChecked(false); + if ( _tandem_params.getValue("scoring, x ions") == "no" ) { // -1 for not found + ui->sxi_yes_radio_button->setChecked(false); + ui->sxi_no_radio_button->setChecked(true); + } + + + //<note type="input" label="refine">yes</note> + ui->refine_yes_radio_button->setChecked(true); + ui->refine_no_radio_button->setChecked(false); + if ( _tandem_params.getValue("refine") == "no" ) { // -1 for not found + ui->refine_yes_radio_button->setChecked(false); + ui->refine_no_radio_button->setChecked(true); + } + //<note type="input" label="refine, maximum valid expectation value">0.01</note> + ui->rmvev_edit->setText(_tandem_params.getValue("refine, maximum valid expectation value")); + + //<note type="input" label="refine, potential N-terminus modifications">+42.01056@[</note> + ui->refpntm_edit->setText(_tandem_params.getValue("refine, potential N-terminus modifications")); + //<note type="input" label="refine, potential C-terminus modifications"></note> + ui->refpctm_edit->setText(_tandem_params.getValue("refine, potential C-terminus modifications")); + //<note type="input" label="refine, modification mass">57.02146@C</note> + ui->refmm_edit->setText(_tandem_params.getValue("refine, modification mass")); + //<note type="input" label="refine, modification mass 1"></note> + ui->refmm1_edit->setText(_tandem_params.getValue("refine, modification mass 1")); + //<note type="input" label="refine, modification mass 2"></note> + ui->refmm2_edit->setText(_tandem_params.getValue("refine, modification mass 2")); + //<note type="input" label="refine, potential modification mass">15.99491@M</note> + ui->refpmm_edit->setText(_tandem_params.getValue("refine, potential modification mass")); + //<note type="input" label="refine, potential modification mass 1"></note> + ui->refpmm1_edit->setText(_tandem_params.getValue("refine, potential modification mass 1")); + //<note type="input" label="refine, potential modification mass 2"></note> + ui->refpmm2_edit->setText(_tandem_params.getValue("refine, potential modification mass 2")); + //<note type="input" label="refine, potential modification motif"></note> + ui->refpmmotif_edit->setText(_tandem_params.getValue("refine, potential modification motif")); + //<note type="input" label="refine, potential modification motif 1"></note> + ui->refpmmotif1_edit->setText(_tandem_params.getValue("refine, potential modification motif 1")); + //<note type="input" label="refine, potential modification motif 2"></note> + ui->refpmmotif2_edit->setText(_tandem_params.getValue("refine, potential modification motif 2")); + //<note type="input" label="refine, use potential modifications for full refinement">yes</note> + ui->rupmffr_yes_radio_button->setChecked(true); + ui->rupmffr_no_radio_button->setChecked(false); + if ( _tandem_params.getValue("refine, use potential modifications for full refinement") == "no" ) { // -1 for not found + ui->rupmffr_yes_radio_button->setChecked(false); + ui->rupmffr_no_radio_button->setChecked(true); + } + //<note type="input" label="refine, cleavage semi">no</note> + ui->rcsemi_yes_radio_button->setChecked(true); + ui->rcsemi_no_radio_button->setChecked(false); + if ( _tandem_params.getValue("refine, cleavage semi") == "no" ) { // -1 for not found + ui->rcsemi_yes_radio_button->setChecked(false); + ui->rcsemi_no_radio_button->setChecked(true); + } + //<note type="input" label="refine, unanticipated cleavage">no</note> + ui->ruc_yes_radio_button->setChecked(true); + ui->ruc_no_radio_button->setChecked(false); + if ( _tandem_params.getValue("refine, unanticipated cleavage") == "no" ) { // -1 for not found + ui->ruc_yes_radio_button->setChecked(false); + ui->ruc_no_radio_button->setChecked(true); + } + //<note type="input" label="refine, spectrum synthesis">yes</note> + ui->rss_yes_radio_button->setChecked(true); + ui->rss_no_radio_button->setChecked(false); + if ( _tandem_params.getValue("refine, spectrum synthesis") == "no" ) { // -1 for not found + ui->rss_yes_radio_button->setChecked(false); + ui->rss_no_radio_button->setChecked(true); + } + //<note type="input" label="refine, point mutations">no</note> + ui->rpm_yes_radio_button->setChecked(true); + ui->rpm_no_radio_button->setChecked(false); + if ( _tandem_params.getValue("refine, point mutations") == "no" ) { // -1 for not found + ui->rpm_yes_radio_button->setChecked(false); + ui->rpm_no_radio_button->setChecked(true); + } + + + //<note type="input" label="output, maximum valid expectation value">0.05</note> + ui->omvev_edit->setText(_tandem_params.getValue("output, maximum valid expectation value")); + //<note type="input" label="output, maximum valid protein expectation value">0.05</note> + ui->omvpev_edit->setText(_tandem_params.getValue("output, maximum valid protein expectation value")); + //<note type="input" label="output, results">valid</note> + ui->oresu_all_radio_button->setChecked(false); + ui->oresu_valid_radio_button->setChecked(true); ui->oresu_stochastic_radio_button->setChecked(false); + if ( _tandem_params.getValue("output, results") == "all" ) { // -1 for not found + ui->oresu_all_radio_button->setChecked(true); + ui->oresu_valid_radio_button->setChecked(false); + ui->oresu_stochastic_radio_button->setChecked(false); + } + if ( _tandem_params.getValue("output, results") == "stochastic" ) { // -1 for not found + ui->oresu_all_radio_button->setChecked(false); + ui->oresu_valid_radio_button->setChecked(false); + ui->oresu_stochastic_radio_button->setChecked(true); + } + //<note type="input" label="output, sort results by">spectrum</note> + //<note type="input" label="output, proteins">yes</note> + //<note type="input" label="output, sequences">yes</note> + //<note type="input" label="output, one sequence copy">yes</note> + //<note type="input" label="output, spectra">yes</note> + ui->ospec_yes_radio_button->setChecked(true); + ui->ospec_no_radio_button->setChecked(false); + if ( _tandem_params.getValue("output, spectra") == "no" ) { // -1 for not found + ui->ospec_yes_radio_button->setChecked(false); + ui->ospec_no_radio_button->setChecked(true); + } + //<note type="input" label="output, parameters">yes</note> + //<note type="input" label="output, performance">yes</note> + //<note type="input" label="output, histograms">yes</note> + //<note type="input" label="output, histogram column width">30</note> + //<note type="input" label="output, path hashing">no</note> + //<note type="input" label="output, xsl path">tandem-style.xsl</note> + ui->oxp_edit->setText(_tandem_params.getValue("output, xsl path")); + //<note type="input" label="output, mzid">no</note> + ui->mzid_yes_radio_button->setChecked(true); + ui->mzid_no_radio_button->setChecked(false); + if ( _tandem_params.getValue("output, mzid") == "no" ) { // -1 for not found + ui->mzid_yes_radio_button->setChecked(false); + ui->mzid_no_radio_button->setChecked(true); + } + } + catch (pappso::ExceptionNotFound & error) { + QMessageBox::warning(this,tr("Parameter not found :"), error.qwhat()); } - if ( _tandem_params.getValue("output, results") == "stochastic" ) { // -1 for not found - ui->oresu_all_radio_button->setChecked(false); - ui->oresu_valid_radio_button->setChecked(false); - ui->oresu_stochastic_radio_button->setChecked(true); - } - //<note type="input" label="output, sort results by">spectrum</note> - //<note type="input" label="output, proteins">yes</note> - //<note type="input" label="output, sequences">yes</note> - //<note type="input" label="output, one sequence copy">yes</note> - //<note type="input" label="output, spectra">yes</note> - ui->ospec_yes_radio_button->setChecked(true); - ui->ospec_no_radio_button->setChecked(false); - if ( _tandem_params.getValue("output, spectra") == "no" ) { // -1 for not found - ui->ospec_yes_radio_button->setChecked(false); - ui->ospec_no_radio_button->setChecked(true); - } - //<note type="input" label="output, parameters">yes</note> - //<note type="input" label="output, performance">yes</note> - //<note type="input" label="output, histograms">yes</note> - //<note type="input" label="output, histogram column width">30</note> - //<note type="input" label="output, path hashing">no</note> - //<note type="input" label="output, xsl path">tandem-style.xsl</note> - ui->oxp_edit->setText(_tandem_params.getValue("output, xsl path")); - //<note type="input" label="output, mzid">no</note> - ui->mzid_yes_radio_button->setChecked(true); - ui->mzid_no_radio_button->setChecked(false); - if ( _tandem_params.getValue("output, mzid") == "no" ) { // -1 for not found - ui->mzid_yes_radio_button->setChecked(false); - ui->mzid_no_radio_button->setChecked(true); + catch (pappso::PappsoException & error) { + QMessageBox::warning(this,tr("Error in parameters :"), error.qwhat()); } qDebug() << "EditTandemPresetDialog::populate end"; } diff --git a/src/input/xtandemparamsaxhandler.cpp b/src/input/xtandemparamsaxhandler.cpp index 0b8f60096f8cb530e56705d308a8a89240d2652e..f68fbabce17faca23748727c04b91ac806336f58 100644 --- a/src/input/xtandemparamsaxhandler.cpp +++ b/src/input/xtandemparamsaxhandler.cpp @@ -33,6 +33,11 @@ XtandemParamSaxHandler::XtandemParamSaxHandler(TandemParameters * p_tandem_parameters) { _p_tandem_parameters = p_tandem_parameters; + + //<note type="input" label="output, xsl path">tandem-style.xsl</note> + _p_tandem_parameters->setParamLabelValue("output, xsl path", "tandem-style.xsl"); + //<note type="input" label="output, mzid">no</note> + _p_tandem_parameters->setParamLabelValue("output, mzid", "no"); } XtandemParamSaxHandler::~XtandemParamSaxHandler() { } @@ -140,8 +145,8 @@ bool XtandemParamSaxHandler::startElement_note(QXmlAttributes attributes) { if (attributes.value("type") == "input") { _current_label = attributes.value("label"); } - - // qDebug() << "XtandemParamSaxHandler::startElement_note _current_label " << _current_label; + + // qDebug() << "XtandemParamSaxHandler::startElement_note _current_label " << _current_label; return true; }