display theoretical MS2 ion fragment ratio

src/gui/peptide_detail_view/peptidewindow.cpp

@@ -35,6 +35,7 @@
 #include <QProcess>
 #include <QSvgGenerator>
 #include <QMessageBox>
+#include <QSpacerItem>
 
 
 void SpectrumSpLoaderThread::doLoadSpectrumSp (PeptideEvidence * p_peptide_evidence) {
@@ -83,8 +84,12 @@ PeptideWindow::PeptideWindow(ProjectWindow *parent):
 
     ui->file_not_found->setVisible(false);
 
+    
     _mz_label = new QLabel("");
     ui->statusbar->addWidget(_mz_label);
+    QWidget * p_spacer = new QWidget();
+    p_spacer->setSizePolicy(QSizePolicy::Expanding, QSizePolicy::Minimum);
+    ui->statusbar->addWidget(p_spacer);
     _peak_label = new QLabel("");
     ui->statusbar->addWidget(_peak_label);
     _ion_label = new QLabel("");
@@ -93,7 +98,6 @@ PeptideWindow::PeptideWindow(ProjectWindow *parent):
     ui->spectrum_widget->setMaximumIsotopeNumber(3);
     ui->spectrum_widget->setMaximumIsotopeRank(6);
 
-    qRegisterMetaType<pappso::SpectrumSp>("pappso::SpectrumSp");
 #if QT_VERSION >= 0x050000
     // Qt5 code
     connect (_p_project_window, &ProjectWindow::identificationGroupGrouped, this,&PeptideWindow::doIdentificationGroupGrouped);
@@ -125,7 +129,9 @@ PeptideWindow::~PeptideWindow()
 void PeptideWindow::setIon(pappso::PeakIonIsotopeMatch ion) {
     QString plusstr = "+";
     plusstr = plusstr.repeated(ion.getCharge());
-    _ion_label->setText(QString("%1%2%3 (+%4)").arg(ion.getPeptideFragmentIonSp().get()->getPeptideIonName()).arg(ion.getPeptideFragmentIonSp().get()->size()).arg(plusstr).arg(ion.getPeptideNaturalIsotopeAverageSp().get()->getIsotopeNumber()));
+    _ion_label->setText(QString("%1%2%3 (+%4) - th. isotope ratio %5%").arg(ion.getPeptideFragmentIonSp().get()->getPeptideIonName()).arg(ion.getPeptideFragmentIonSp().get()->size()).arg(plusstr).arg(ion.getPeptideNaturalIsotopeAverageSp().get()->getIsotopeNumber()).arg((int)(ion.getPeptideNaturalIsotopeAverageSp().get()->getIntensityRatio()*100)));
+    
+    
 }
 
 void PeptideWindow::setPeak(const pappso::Peak * p_peak_match) {

src/gui/xic_view/xic_box/xicbox.cpp

@@ -113,6 +113,7 @@ void XicBox::setXic(std::vector< pappso::XicSp> xic_sp_list) {
         if (_isotope_mass_list[i].get()->getIsotopeRank() > 1) {
             isotope_name = QString("+%1 [%2]").arg(_isotope_mass_list[i].get()->getIsotopeNumber()).arg(_isotope_mass_list[i].get()->getIsotopeRank());
         }
+        isotope_name.append(QString(" (%1%)").arg((int) (_isotope_mass_list[i].get()->getIntensityRatio()*100)));
         ui->xic_widget->setName(xic_sp_list[i].get(), isotope_name);
 
         if (_isotope_mass_list[i].get()->getIsotopeNumber() == 0) {

src/gui/xic_view/xic_window.ui

@@ -15,6 +15,50 @@
   </property>
   <widget class="QWidget" name="centralwidget">
    <layout class="QVBoxLayout" name="verticalLayout_2">
+    <item>
+     <widget class="QWidget" name="widget" native="true">
+      <layout class="QHBoxLayout" name="horizontalLayout">
+       <property name="spacing">
+        <number>0</number>
+       </property>
+       <property name="leftMargin">
+        <number>0</number>
+       </property>
+       <property name="topMargin">
+        <number>0</number>
+       </property>
+       <property name="rightMargin">
+        <number>0</number>
+       </property>
+       <property name="bottomMargin">
+        <number>0</number>
+       </property>
+       <item>
+        <widget class="QLabel" name="label">
+         <property name="text">
+          <string>XIC range</string>
+         </property>
+        </widget>
+       </item>
+       <item>
+        <widget class="pappso::PrecisionWidget" name="xic_precision" native="true"/>
+       </item>
+       <item>
+        <spacer name="horizontalSpacer">
+         <property name="orientation">
+          <enum>Qt::Horizontal</enum>
+         </property>
+         <property name="sizeHint" stdset="0">
+          <size>
+           <width>40</width>
+           <height>20</height>
+          </size>
+         </property>
+        </spacer>
+       </item>
+      </layout>
+     </widget>
+    </item>
     <item>
      <widget class="QScrollArea" name="scrollArea">
       <property name="widgetResizable">
@@ -26,7 +70,7 @@
          <x>0</x>
          <y>0</y>
          <width>780</width>
-         <height>530</height>
+         <height>504</height>
         </rect>
        </property>
        <layout class="QVBoxLayout" name="verticalLayout"/>
@@ -47,6 +91,14 @@
   </widget>
   <widget class="QStatusBar" name="statusbar"/>
  </widget>
+ <customwidgets>
+  <customwidget>
+   <class>pappso::PrecisionWidget</class>
+   <extends>QWidget</extends>
+   <header>pappsomspp/widget/precisionwidget/precisionwidget.h</header>
+   <container>1</container>
+  </customwidget>
+ </customwidgets>
  <resources/>
  <connections/>
 </ui>

src/main.cpp

@@ -42,6 +42,7 @@ int main(int argc, char *argv[])
     qRegisterMetaType<std::vector<pappso::XicSp>>("std::vector<pappso::XicSp>");
     qRegisterMetaType<pappso::PeptideSp>("pappso::PeptideSp");
     qRegisterMetaType<XicExtractMethod>("XicExtractMethod");
+    qRegisterMetaType<pappso::SpectrumSp>("pappso::SpectrumSp");
     qRegisterMetaType<std::vector<pappso::PeptideNaturalIsotopeAverageSp>>("std::vector<pappso::PeptideNaturalIsotopeAverageSp>");