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Commit cbd2c559 authored by Langella Olivier's avatar Langella Olivier
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beautifull histogram

parent 5c527b1f
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src/gui/project_view/projectwindow.cpp
+ 89
− 84
View file @ cbd2c559
...@@ -78,6 +78,7 @@ ProjectWindow::ProjectWindow(MainWindow *parent): ...@@ -78,6 +78,7 @@ ProjectWindow::ProjectWindow(MainWindow *parent):
setFocusPolicy(Qt::ClickFocus); setFocusPolicy(Qt::ClickFocus);
_p_bars = new QCPBars(ui->mass_histogram_widget->xAxis, ui->mass_histogram_widget->yAxis); _p_bars = new QCPBars(ui->mass_histogram_widget->xAxis, ui->mass_histogram_widget->yAxis);
ui->mass_histogram_widget->addGraph();
#if QT_VERSION >= 0x050000 #if QT_VERSION >= 0x050000
...@@ -127,6 +128,94 @@ ProjectWindow::~ProjectWindow() ...@@ -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() { Project * ProjectWindow::getProjectP() {
return _project_sp.get(); return _project_sp.get();
} }
...@@ -248,90 +337,6 @@ void ProjectWindow::computeFdr() { ...@@ -248,90 +337,6 @@ void ProjectWindow::computeFdr() {
qDebug() << "ProjectWindow::computeFdr end"; 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() { void ProjectWindow::doFdrChanged() {
qDebug() << "ProjectWindow::doFdrChanged begin "; qDebug() << "ProjectWindow::doFdrChanged begin ";
try { try {
......
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