From cbd2c5595c6b1dc26b3ba4415c5fb5648875e616 Mon Sep 17 00:00:00 2001
From: Olivier Langella <olivier.langella@u-psud.fr>
Date: Fri, 22 Dec 2017 14:28:22 +0100
Subject: [PATCH] beautifull histogram
---
src/gui/project_view/projectwindow.cpp | 173 +++++++++++++------------
1 file changed, 89 insertions(+), 84 deletions(-)
diff --git a/src/gui/project_view/projectwindow.cpp b/src/gui/project_view/projectwindow.cpp
index dbd44dac0..b723eb1b4 100644
--- a/src/gui/project_view/projectwindow.cpp
+++ b/src/gui/project_view/projectwindow.cpp
@@ -78,6 +78,7 @@ ProjectWindow::ProjectWindow(MainWindow *parent):
setFocusPolicy(Qt::ClickFocus);
_p_bars = new QCPBars(ui->mass_histogram_widget->xAxis, ui->mass_histogram_widget->yAxis);
+ ui->mass_histogram_widget->addGraph();
#if QT_VERSION >= 0x050000
@@ -127,6 +128,94 @@ ProjectWindow::~ProjectWindow()
}
+
+void ProjectWindow::computeMassPrecision() {
+ qDebug() << "ProjectWindow::computeMassPrecision begin";
+ 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);
+ }
+
+
+ qDebug() << "ProjectWindow::computeMassPrecision accumulate";
+ pappso::pappso_double sum = std::accumulate(delta_list.begin(), delta_list.end(), 0);
+
+ qDebug() << "ProjectWindow::computeMassPrecision delta_list.size()=" << delta_list.size();
+ pappso::pappso_double mean = 0;
+ if (delta_list.size() > 0) {
+ mean = sum / ((pappso::pappso_double) delta_list.size());
+ }
+ else {
+ throw pappso::PappsoException(QObject::tr("division by zero : no valid peptide found. Please check your filter parameters (decoy regexp or database particularly)"));
+ }
+
+ std::sort(delta_list.begin(), delta_list.end());
+ pappso::pappso_double median = delta_list[(delta_list.size()/2)];
+
+
+ qDebug() << "ProjectWindow::computeMassPrecision 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));
+
+
+ std::vector< std::pair<pappso::pappso_double, size_t >> histogram = Utils::getHistogram(delta_list, 100);
+ // generate some data:
+ QVector<double> x, y;
+ for (std::pair<pappso::pappso_double, size_t > & mass_pair: histogram)
+ {
+ x.push_back(mass_pair.first);
+ y.push_back(mass_pair.second);
+ }
+
+ delete _p_bars;
+ _p_bars = new QCPBars(ui->mass_histogram_widget->xAxis, ui->mass_histogram_widget->yAxis);
+ _p_bars->clearData();
+ _p_bars->setWidth((x[0] - x[x.size()-1])/x.size());
+ _p_bars->setData(x, y);
+ _p_bars->rescaleAxes();
+ //ui->mass_histogram_widget->yAxis->setRange(0, *std::max(y.begin(), y.end()));
+ //ui->mass_histogram_widget->xAxis->setRange(x[0], x[x.size()-1]);
+ //QCPGraph * p_graph = ui->mass_histogram_widget->graph();
+ //p_graph->clearData();
+ //p_graph->setData(x,y);
+ ui->mass_histogram_widget->rescaleAxes();
+ //p_graph->rescaleAxes(true);
+ ui->mass_histogram_widget->replot();
+ }
+ catch (pappso::PappsoException exception_pappso) {
+ ui->mass_precision_mean_label->setText("0");
+ ui->mass_precision_median_label->setText("0");
+ ui->mass_precision_sd_label->setText("0");
+ QMessageBox::warning(this,
+ tr("Unable to compute mass precision :"), exception_pappso.qwhat());
+ }
+ catch (std::exception exception_std) {
+ ui->mass_precision_mean_label->setText("0");
+ ui->mass_precision_median_label->setText("0");
+ ui->mass_precision_sd_label->setText("0");
+ QMessageBox::warning(this,
+ tr("Unable to compute mass precision :"), exception_std.what());
+ }
+ qDebug() << "ProjectWindow::computeMassPrecision end";
+}
+
+
Project * ProjectWindow::getProjectP() {
return _project_sp.get();
}
@@ -248,90 +337,6 @@ void ProjectWindow::computeFdr() {
qDebug() << "ProjectWindow::computeFdr end";
}
-void ProjectWindow::computeMassPrecision() {
- qDebug() << "ProjectWindow::computeMassPrecision begin";
- 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);
- }
-
-
- qDebug() << "ProjectWindow::computeMassPrecision accumulate";
- pappso::pappso_double sum = std::accumulate(delta_list.begin(), delta_list.end(), 0);
-
- qDebug() << "ProjectWindow::computeMassPrecision delta_list.size()=" << delta_list.size();
- pappso::pappso_double mean = 0;
- if (delta_list.size() > 0) {
- mean = sum / ((pappso::pappso_double) delta_list.size());
- }
- else {
- throw pappso::PappsoException(QObject::tr("division by zero : no valid peptide found. Please check your filter parameters (decoy regexp or database particularly)"));
- }
-
- std::sort(delta_list.begin(), delta_list.end());
- pappso::pappso_double median = delta_list[(delta_list.size()/2)];
-
-
- qDebug() << "ProjectWindow::computeMassPrecision 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));
-
-
- std::vector< std::pair<pappso::pappso_double, size_t >> histogram = Utils::getHistogram(delta_list, 100);
- // generate some data:
- QVector<double> x, y;
- for (std::pair<pappso::pappso_double, size_t > & mass_pair: histogram)
- {
- x.push_back(mass_pair.first);
- y.push_back(mass_pair.second);
- }
-
- //delete _p_bars;
- //_p_bars = new QCPBars(ui->mass_histogram_widget->xAxis, ui->mass_histogram_widget->yAxis);
- _p_bars->clearData();
- _p_bars->setWidth((x[0] - x[x.size()-1])/x.size());
- _p_bars->setData(x, y);
- _p_bars->rescaleAxes(true);
- ui->mass_histogram_widget->yAxis->setRange(0, *std::max(y.begin(), y.end()));
- ui->mass_histogram_widget->xAxis->setRange(x[0], x[x.size()-1]);
- //QCPGraph * p_graph = ui->mass_histogram_widget->graph();
- //p_graph->setData(x,y);
- //ui->mass_histogram_widget->rescaleAxes();
- ui->mass_histogram_widget->replot();
- }
- catch (pappso::PappsoException exception_pappso) {
- ui->mass_precision_mean_label->setText("0");
- ui->mass_precision_median_label->setText("0");
- ui->mass_precision_sd_label->setText("0");
- QMessageBox::warning(this,
- tr("Unable to compute mass precision :"), exception_pappso.qwhat());
- }
- catch (std::exception exception_std) {
- ui->mass_precision_mean_label->setText("0");
- ui->mass_precision_median_label->setText("0");
- ui->mass_precision_sd_label->setText("0");
- QMessageBox::warning(this,
- tr("Unable to compute mass precision :"), exception_std.what());
- }
- qDebug() << "ProjectWindow::computeMassPrecision end";
-}
-
void ProjectWindow::doFdrChanged() {
qDebug() << "ProjectWindow::doFdrChanged begin ";
try {
--
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