diff --git a/src/gui/project_view/project_view.ui b/src/gui/project_view/project_view.ui
index 92edffd522cfbd1880eafe7d1473ac673bc2ceca..b50818ffe1f0a3d3cd657dcc6c8f2017be801f75 100644
--- a/src/gui/project_view/project_view.ui
+++ b/src/gui/project_view/project_view.ui
@@ -24,7 +24,7 @@
<string/>
</property>
<property name="currentIndex">
- <number>0</number>
+ <number>3</number>
</property>
<widget class="QWidget" name="identifications">
<attribute name="title">
@@ -270,73 +270,92 @@
<item row="0" column="0">
<layout class="QVBoxLayout" name="verticalLayout_5">
<item>
- <layout class="QFormLayout" name="formLayout_2">
- <item row="0" column="0">
- <layout class="QFormLayout" name="formLayout_3"/>
- </item>
- <item row="0" column="1">
- <widget class="QComboBox" name="precision_unit_combobox">
- <item>
- <property name="text">
- <string>ppm</string>
- </property>
- </item>
- <item>
- <property name="text">
- <string>dalton</string>
+ <widget class="QWidget" name="widget" native="true">
+ <property name="sizePolicy">
+ <sizepolicy hsizetype="Preferred" vsizetype="Fixed">
+ <horstretch>0</horstretch>
+ <verstretch>0</verstretch>
+ </sizepolicy>
+ </property>
+ <layout class="QVBoxLayout" name="verticalLayout_7">
+ <item>
+ <layout class="QFormLayout" name="formLayout_2">
+ <property name="sizeConstraint">
+ <enum>QLayout::SetMinimumSize</enum>
</property>
- </item>
- </widget>
- </item>
- <item row="1" column="0">
- <widget class="QLabel" name="label_2">
- <property name="text">
- <string>mean</string>
- </property>
- </widget>
- </item>
- <item row="1" column="1">
- <widget class="QLabel" name="mass_precision_mean_label">
- <property name="text">
- <string>0</string>
- </property>
- </widget>
- </item>
- <item row="2" column="0">
- <widget class="QLabel" name="label_4">
- <property name="text">
- <string>median</string>
- </property>
- </widget>
- </item>
- <item row="2" column="1">
- <widget class="QLabel" name="mass_precision_median_label">
- <property name="text">
- <string>0</string>
- </property>
- </widget>
- </item>
- <item row="3" column="0">
- <widget class="QLabel" name="label_5">
- <property name="text">
- <string>standard deviation</string>
- </property>
- </widget>
- </item>
- <item row="3" column="1">
- <widget class="QLabel" name="mass_precision_sd_label">
- <property name="toolTip">
- <string>Mass deviation is computed on all valid and checked proteins but not decoy</string>
- </property>
- <property name="text">
- <string>0</string>
- </property>
- </widget>
- </item>
- </layout>
+ <item row="0" column="1">
+ <widget class="QComboBox" name="precision_unit_combobox">
+ <item>
+ <property name="text">
+ <string>ppm</string>
+ </property>
+ </item>
+ <item>
+ <property name="text">
+ <string>dalton</string>
+ </property>
+ </item>
+ </widget>
+ </item>
+ <item row="1" column="0">
+ <widget class="QLabel" name="label_2">
+ <property name="text">
+ <string>mean</string>
+ </property>
+ </widget>
+ </item>
+ <item row="1" column="1">
+ <widget class="QLabel" name="mass_precision_mean_label">
+ <property name="text">
+ <string>0</string>
+ </property>
+ </widget>
+ </item>
+ <item row="2" column="0">
+ <widget class="QLabel" name="label_4">
+ <property name="text">
+ <string>median</string>
+ </property>
+ </widget>
+ </item>
+ <item row="2" column="1">
+ <widget class="QLabel" name="mass_precision_median_label">
+ <property name="text">
+ <string>0</string>
+ </property>
+ </widget>
+ </item>
+ <item row="3" column="0">
+ <widget class="QLabel" name="label_5">
+ <property name="text">
+ <string>standard deviation</string>
+ </property>
+ </widget>
+ </item>
+ <item row="3" column="1">
+ <widget class="QLabel" name="mass_precision_sd_label">
+ <property name="toolTip">
+ <string>Mass deviation is computed on all valid and checked proteins but not decoy</string>
+ </property>
+ <property name="text">
+ <string>0</string>
+ </property>
+ </widget>
+ </item>
+ </layout>
+ </item>
+ </layout>
+ </widget>
</item>
<item>
- <widget class="QCustomPlot" name="mass_histogram_widget" native="true"/>
+ <widget class="QCustomPlot" name="mass_histogram_widget" native="true">
+ <property name="sizePolicy">
+ <sizepolicy hsizetype="Preferred" vsizetype="Expanding">
+ <horstretch>0</horstretch>
+ <verstretch>0</verstretch>
+ </sizepolicy>
+ </property>
+ </widget>
</item>
</layout>
</item>
diff --git a/src/gui/project_view/projectwindow.cpp b/src/gui/project_view/projectwindow.cpp
index 76dd32d65db3f792f62da7b138df4d2c0bd28b7d..bc914c2756641edbfb6ced134608ab30708111af 100644
--- a/src/gui/project_view/projectwindow.cpp
+++ b/src/gui/project_view/projectwindow.cpp
@@ -67,6 +67,26 @@ ProjectWindow::ProjectWindow(MainWindow *parent):
_p_waiting_message_dialog = new WaitingMessageDialog(this);
+ ui->mass_histogram_widget->xAxis->setLabel("mass delta");
+ ui->mass_histogram_widget->yAxis->setLabel("count");
+ ui->mass_histogram_widget->setInteractions(QCP::iRangeDrag | QCP::iRangeZoom );
+ ui->mass_histogram_widget->axisRects().at(0)->setRangeDrag(Qt::Horizontal);
+ ui->mass_histogram_widget->axisRects().at(0)->setRangeZoom(Qt::Horizontal);
+ //legend->setVisible(false);
+ ui->mass_histogram_widget->legend->setFont(QFont("Helvetica",9));
+// set locale to english, so we get english decimal separator:
+//setLocale(QLocale(QLocale::English, QLocale::UnitedKingdom));
+ setFocusPolicy(Qt::ClickFocus);
+
+ QCPGraph * p_graph = ui->mass_histogram_widget->addGraph();
+ //p_graph->setName("raw xic");
+ //QPen pen;
+ //pen.setColor(getNewColors());
+ //graph()->setPen(pen);
+ //graph()->setName(lineNames.at(i-QCPGraph::lsNone));
+ p_graph->setLineStyle(QCPGraph::LineStyle::lsStepCenter);
+ //p_graph->setScatterStyle(QCPScatterStyle(QCPScatterStyle::ssDisc, 2.0));
+
#if QT_VERSION >= 0x050000
// Qt5 code
@@ -294,14 +314,7 @@ void ProjectWindow::computeMassPrecision() {
y.push_back(mass_pair.second);
}
- QCPGraph * p_graph = ui->mass_histogram_widget->addGraph();
- //p_graph->setName("raw xic");
- //QPen pen;
- //pen.setColor(getNewColors());
- //graph()->setPen(pen);
- //graph()->setName(lineNames.at(i-QCPGraph::lsNone));
- p_graph->setLineStyle(QCPGraph::LineStyle::lsStepCenter);
- //p_graph->setScatterStyle(QCPScatterStyle(QCPScatterStyle::ssDisc, 2.0));
+ QCPGraph * p_graph = ui->mass_histogram_widget->graph();
p_graph->setData(x,y);
p_graph->rescaleAxes(true);
ui->mass_histogram_widget->rescaleAxes();
diff --git a/src/utils/utils.cpp b/src/utils/utils.cpp
index 32aaeb9dff1273adb98c4195ff9c7b1e22e47d56..0b9292d37189da1698bdf7604ea2622603f6942e 100644
--- a/src/utils/utils.cpp
+++ b/src/utils/utils.cpp
@@ -39,7 +39,7 @@ const QString Utils::getDatabaseName(ExternalDatabase database) {
std::vector<std::pair<pappso::pappso_double, size_t>> Utils::getHistogram(std::vector<pappso::pappso_double> data_values, unsigned int number_of_class) {
- std::vector<std::pair<pappso::pappso_double, size_t>> histogram(number_of_class);
+ std::vector<std::pair<pappso::pappso_double, size_t>> histogram(number_of_class+1);
try {
qDebug() << "Utils::getHistogram begin";
@@ -51,11 +51,12 @@ std::vector<std::pair<pappso::pappso_double, size_t>> Utils::getHistogram(std::v
qDebug() << "Utils::getHistogram number_of_class offset=" << offset;
for (unsigned int i= 0; i < histogram.size(); i++) {
histogram[i] = std::pair<pappso::pappso_double, size_t> {(min + (offset * i) + (offset/2)), 0};
+ qDebug() << "Utils::getHistogram x=" << histogram[i].first;
}
qDebug() << "Utils::getHistogram data_values";
for (pappso::pappso_double value :data_values) {
- qDebug() << "Utils::getHistogram value=" << value;
- unsigned int i = std::abs((min+(min-value))/offset );
+ //qDebug() << "Utils::getHistogram value=" << value;
+ unsigned int i = std::abs((value-min)/offset );
qDebug() << "Utils::getHistogram i=" << i << " size=" << histogram.size();
histogram.at(i).second++;
}