From 187ec63d8b93885d857a41e095d55975a25dad5c Mon Sep 17 00:00:00 2001
From: Olivier Langella <olivier.langella@u-psud.fr>
Date: Fri, 29 Sep 2017 15:46:19 +0200
Subject: [PATCH] catch exception in FDR and mass precision computation
---
src/gui/project_view/projectwindow.cpp | 101 +++++++++++++++----------
1 file changed, 60 insertions(+), 41 deletions(-)
diff --git a/src/gui/project_view/projectwindow.cpp b/src/gui/project_view/projectwindow.cpp
index f7ca05616..10723c89f 100644
--- a/src/gui/project_view/projectwindow.cpp
+++ b/src/gui/project_view/projectwindow.cpp
@@ -207,57 +207,76 @@ void ProjectWindow::refreshGroup(IdentificationGroup * p_ident_group) {
void ProjectWindow::computeFdr() {
qDebug() << "ProjectWindow::computeFdr begin";
- ValidationState state = ValidationState::valid;
- pappso::pappso_double total_prot=0;
- pappso::pappso_double false_prot=0;
- pappso::pappso_double total_peptide=0;
- pappso::pappso_double false_peptide=0;
- for (IdentificationGroup * identification_group : _project_sp.get()->getIdentificationGroupList()) {
- total_prot += identification_group->countProteinMatch(state);
- false_prot += identification_group->countDecoyProteinMatch(state);
- //total_peptide += identification_group->countPeptideMatch(state);
- //false_peptide += identification_group->countDecoyPeptideMatch(state);
- total_peptide += identification_group->countPeptideMassSample(state);
- false_peptide += identification_group->countDecoyPeptideMassSample(state);
- }
- ui->protein_fdr_label->setText(QString("%1 %").arg(QString::number((false_prot/total_prot)*100.0,'f',10)));
- ui->peptide_fdr_label->setText(QString("%1 %").arg(QString::number((false_peptide/total_peptide)*100.0,'f',10)));
-
+ try {
+ ValidationState state = ValidationState::valid;
+ pappso::pappso_double total_prot=0;
+ pappso::pappso_double false_prot=0;
+ pappso::pappso_double total_peptide=0;
+ pappso::pappso_double false_peptide=0;
+ for (IdentificationGroup * identification_group : _project_sp.get()->getIdentificationGroupList()) {
+ total_prot += identification_group->countProteinMatch(state);
+ false_prot += identification_group->countDecoyProteinMatch(state);
+ //total_peptide += identification_group->countPeptideMatch(state);
+ //false_peptide += identification_group->countDecoyPeptideMatch(state);
+ total_peptide += identification_group->countPeptideMassSample(state);
+ false_peptide += identification_group->countDecoyPeptideMassSample(state);
+ }
+ ui->protein_fdr_label->setText(QString("%1 %").arg(QString::number((false_prot/total_prot)*100.0,'f',10)));
+ ui->peptide_fdr_label->setText(QString("%1 %").arg(QString::number((false_peptide/total_peptide)*100.0,'f',10)));
+ }
+ catch (pappso::PappsoException exception_pappso) {
+ QMessageBox::warning(this,
+ tr("Unable to compute FDR :"), exception_pappso.qwhat());
+ }
+ catch (std::exception exception_std) {
+ QMessageBox::warning(this,
+ tr("Unable to compute FDR :"), exception_std.what());
+ }
qDebug() << "ProjectWindow::computeFdr end";
}
void ProjectWindow::computeMassPrecision() {
qDebug() << "ProjectWindow::computeMassPrecision begin";
- ValidationState state = ValidationState::validAndChecked;
- std::vector< pappso::pappso_double> delta_list;
- pappso::PrecisionUnit unit = pappso::PrecisionUnit::dalton;
- if (ui->precision_unit_combobox->currentText() == "ppm") {
- unit = pappso::PrecisionUnit::ppm;
- }
+ try {
+ ValidationState state = ValidationState::validAndChecked;
+ std::vector< pappso::pappso_double> delta_list;
+ pappso::PrecisionUnit unit = pappso::PrecisionUnit::dalton;
+ if (ui->precision_unit_combobox->currentText() == "ppm") {
+ unit = pappso::PrecisionUnit::ppm;
+ }
- for (IdentificationGroup * identification_group : _project_sp.get()->getIdentificationGroupList()) {
- identification_group->collectMhDelta(delta_list, unit, state);
- }
+ for (IdentificationGroup * identification_group : _project_sp.get()->getIdentificationGroupList()) {
+ identification_group->collectMhDelta(delta_list, unit, state);
+ }
- pappso::pappso_double sum = std::accumulate(delta_list.begin(), delta_list.end(), 0);
+ pappso::pappso_double sum = std::accumulate(delta_list.begin(), delta_list.end(), 0);
- pappso::pappso_double mean = sum / ((pappso::pappso_double) delta_list.size());
+ pappso::pappso_double mean = sum / ((pappso::pappso_double) delta_list.size());
- std::sort(delta_list.begin(), delta_list.end());
- pappso::pappso_double median = delta_list[(delta_list.size()/2)];
+ std::sort(delta_list.begin(), delta_list.end());
+ pappso::pappso_double median = delta_list[(delta_list.size()/2)];
- pappso::pappso_double sd = 0;
- for (pappso::pappso_double val : delta_list) {
- //sd = sd + ((val - mean) * (val - mean));
- sd += std::pow((val - mean), 2);
- }
- sd = sd / delta_list.size();
- sd = std::sqrt(sd);
+ pappso::pappso_double sd = 0;
+ for (pappso::pappso_double val : delta_list) {
+ //sd = sd + ((val - mean) * (val - mean));
+ sd += std::pow((val - mean), 2);
+ }
+ sd = sd / delta_list.size();
+ sd = std::sqrt(sd);
- ui->mass_precision_mean_label->setText(QString::number(mean,'f',10));
- ui->mass_precision_median_label->setText(QString::number(median,'f',10));
- ui->mass_precision_sd_label->setText(QString::number(sd,'f',10));
+ ui->mass_precision_mean_label->setText(QString::number(mean,'f',10));
+ ui->mass_precision_median_label->setText(QString::number(median,'f',10));
+ ui->mass_precision_sd_label->setText(QString::number(sd,'f',10));
+ }
+ catch (pappso::PappsoException exception_pappso) {
+ QMessageBox::warning(this,
+ tr("Unable to compute mass precision :"), exception_pappso.qwhat());
+ }
+ catch (std::exception exception_std) {
+ QMessageBox::warning(this,
+ tr("Unable to compute mass precision :"), exception_std.what());
+ }
qDebug() << "ProjectWindow::computeMassPrecision end";
}
@@ -274,7 +293,7 @@ void ProjectWindow::doFdrChanged() {
p_fasta_file->setDecoys(_project_sp.get()->getProteinStore());
}
else {
- throw pappso::PappsoException(QObject::tr("can not convert to FastaFile index.data().canConvert<FastaFile *>()"));
+ throw pappso::PappsoException(QObject::tr("can not convert to FastaFile index.data().canConvert<FastaFile *>()"));
}
}
}
@@ -310,7 +329,7 @@ void ProjectWindow::doAutomaticFilterParametersChanged(AutomaticFilterParameters
p_fasta_file->setContaminants(_project_sp.get()->getProteinStore());
}
else {
- throw pappso::PappsoException(QObject::tr("can not convert to FastaFile index.data().canConvert<FastaFile *>()"));
+ throw pappso::PappsoException(QObject::tr("can not convert to FastaFile index.data().canConvert<FastaFile *>()"));
}
}
}
--
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