fix two crashes and some layout problems

src/client/suprafit_cli.h

@@ -20,6 +20,7 @@
 
 #include <QtCore/QJsonObject>
 #include <QtCore/QObject>
+#include <QtCore/QVector>
 
 class SupraFitCli : public QObject {
     Q_OBJECT

src/global.h

@@ -160,6 +160,7 @@ inline QString aboutHtml()
     info += "<p>Created by Conrad Hübler</p>";
     info += "<p>Special thanks to <strong>Prof. M. Mazik</strong>, TU Bergakademie Freiberg for her support.</p>";
     info += "<p>Special thanks to <strong>Dr. Sebastian F&ouml;rster</strong> and <strong>Dr. Stefan Kaiser</strong> for finding bugs and constructive feedback.</p>";
+    info += "<p>Special thanks to all with constructive feedback and bug hunting: Felix Amrhein.</p>";
     info += "<p>Special thanks to Alexander K&ouml;nig for testing the Quickstart, helpful comments and feedback.</p>";
     info += "<p>Thanks to all encouraged me writing the application.</p>";
     info += "<p>Built-in Icon Theme taken from Oxygens Icon : <a href='http://www.oxygen-icons.org'>http://www.oxygen-icons.org</a></p>";
@@ -182,6 +183,7 @@ inline QString about()
     info += "\t*********************************************************************************************************\n\n";
     info += "\tSpecial thanks to Prof. M. Mazik, TU Bergakademie Freiberg for her support.\n\n";
     info += "\tSpecial thanks to \t Dr. Sebastian Förster \t  and \t Dr. Stefan Kaiser \t for finding bugs and constructive feedback.\n";
+    info += "\tSpecial thanks to all with constructive feedback and bug hunting: Felix Amrhein.\n";
     info += "\tSpecial thanks to Alexander König for testing the Quickstart, helpful comments and feedback.\n\n\n";
     info += "\tThanks to all encouraged me writing the application.\n\n";
     info += "\tSupraFit website on GitHub: https://github.com/conradhuebler/SupraFit\n\n";

src/ui/dialogs/configdialog.cpp

@@ -132,6 +132,16 @@ void ConfigDialog::createGeneralTab()
     h_layout->addWidget(m_threads);
     layout->addLayout(h_layout);
 
+    m_model_element_cols = new QSpinBox;
+    m_model_element_cols->setMaximum(1e6);
+    m_model_element_cols->setValue(qApp->instance()->property("ModelParameterColums").toInt());
+    m_model_element_cols->setMinimum(1);
+
+    h_layout = new QHBoxLayout;
+    h_layout->addWidget(new QLabel(tr("Columns for Model Parameter:")));
+    h_layout->addWidget(m_model_element_cols);
+    layout->addLayout(h_layout);
+
     layout->addWidget(new QLabel(tr("Set directory behavior to:")));
 
     m_current_dir = new QRadioButton(tr("Current Directory, where Application was started"), generalTab);
@@ -438,6 +448,8 @@ void ConfigDialog::accept()
         m_dirlevel = 2;
 
     qApp->instance()->setProperty("threads", m_threads->value());
+    qApp->instance()->setProperty("ModelParameterColums", m_model_element_cols->value());
+
     qApp->instance()->setProperty("workingdir", m_working->text());
     qApp->instance()->setProperty("dirlevel", m_dirlevel);
     qApp->instance()->setProperty("auto_confidence", m_auto_confidence->isChecked());

src/ui/dialogs/configdialog.h

@@ -60,7 +60,7 @@ class ConfigDialog : public QDialog {
 
 private:
     QRadioButton *m_current_dir, *m_last_dir, *m_working_dir;
-    QSpinBox *m_threads, *m_XScale, *m_YScale, *m_FontSize, *m_FastConfidenceScaling, *m_FastConfidenceSteps, *m_HistBins;
+    QSpinBox *m_threads, *m_model_element_cols, *m_XScale, *m_YScale, *m_FontSize, *m_FastConfidenceScaling, *m_FastConfidenceSteps, *m_HistBins;
     QDoubleSpinBox *m_p_value, *m_markerSize, *m_lineWidth, *m_chartScaling;
     QCheckBox *m_transparentChart, *m_cropedChart, *m_ColorFullSearch, *m_advanced_ui, *m_unsafe_copy, *m_overwrite_bins, *m_initialise_random;
     QLineEdit* m_working;

src/ui/guitools/chartwrapper.cpp

@@ -133,11 +133,8 @@ void ChartWrapper::InitaliseSeries()
 
 void ChartWrapper::UpdateModel()
 {
-    if (!m_working) {
-        m_working = m_stored_data;
-        m_transformed = false;
-    }
 
+    CheckWorking();
     MakeSeries();
     emit ModelChanged();
 }
@@ -277,4 +274,13 @@ void ChartWrapper::showSeries(int i)
     }
     emit ShowSeries(i);
 }
+
+void ChartWrapper::CheckWorking()
+{
+    if (!m_working) {
+        m_working = m_stored_data;
+        m_transformed = false;
+    }
+}
+
 #include "chartwrapper.moc"

src/ui/guitools/chartwrapper.h

@@ -64,9 +64,17 @@ class ChartWrapper : public QObject {
 
     static QColor ColorCode(int i);
 
-    inline QString XLabel() const { return m_working.data()->XLabel(); }
-
-    inline QString YLabel() const { return m_working.data()->YLabel(); }
+    inline QString XLabel()
+    {
+        CheckWorking();
+        return m_working.data()->XLabel();
+    }
+
+    inline QString YLabel()
+    {
+        CheckWorking();
+        return m_working.data()->YLabel();
+    }
 
 public slots:
     void UpdateModel();
@@ -83,6 +91,7 @@ public slots:
 
     bool m_blocked, m_transformed, m_flipable;
     void InitaliseSeries();
+    void CheckWorking();
 
 signals:
     void ModelChanged();

src/ui/mainwindow/suprafitgui.cpp

@@ -1409,6 +1409,9 @@ void SupraFitGui::ReadSettings()
         QTimer::singleShot(10, this, SLOT(FirstStart()));
     }
 
+    if (qApp->instance()->property("ModelParameterColums") == QVariant())
+        qApp->instance()->setProperty("ModelParameterColums", 2);
+
     if (qApp->instance()->property("xSize") == QVariant())
         qApp->instance()->setProperty("xSize", 600);
 

src/ui/mainwindow/suprafitgui.h

@@ -291,7 +291,8 @@ public slots:
                                                    << "StoreFileName"
                                                    << "StoreAbsolutePath"
                                                    << "StoreFileHash"
-                                                   << "FindFileRecursive";
+                                                   << "FindFileRecursive"
+                                                   << "ModelParameterColums";
 
     QDockWidget* m_message_dock;
     MessageDock* m_messages_widget;

src/ui/widgets/parameterwidget.cpp

@@ -36,7 +36,8 @@
 LocalParameterWidget::LocalParameterWidget(QSharedPointer<AbstractModel> model)
     : m_model(model)
 {
-    QVBoxLayout* layout = new QVBoxLayout;
+    int columns = qApp->instance()->property("ModelParameterColums").toInt();
+    QGridLayout* layout = new QGridLayout;
     for (int i = 0; i < m_model.data()->LocalParameterSize(); i++) {
         QWidget* widget = new QWidget;
         QHBoxLayout* hlayout = new QHBoxLayout;
@@ -89,7 +90,7 @@ LocalParameterWidget::LocalParameterWidget(QSharedPointer<AbstractModel> model)
         m_parameter << box;
         hlayout->addWidget(check);
         check->setHidden(m_model.data()->isSimulation());
-        layout->addWidget(widget);
+        layout->addWidget(widget, i / columns, i % columns);
     }
 
     setLayout(layout);

src/ui/widgets/thermogramwidget.cpp

@@ -120,6 +120,8 @@ void ThermogramWidget::setUi()
     m_table->setToolTip(tr("This table hold all peaks, consisting of the integral, start time and end time. Double click on a peak will toggle the <i>Peak Integration mode</i>. Double click of within the thermogram selects the appropriate peak in this table (if any peaks already exists"));
 
     m_peak_rule_list = new QTableWidget;
+    PeakRule* prototype = new PeakRule;
+    m_peak_rule_list->setItemPrototype(prototype);
     m_peak_rule_list->setRowCount(1);
     m_peak_rule_list->setColumnCount(2);
     m_peak_rule_list->setContextMenuPolicy(Qt::ActionsContextMenu);
@@ -435,9 +437,9 @@ void ThermogramWidget::setUi()
     m_splitter->restoreState(settings.value("splitterSizes").toByteArray());
     m_iterations->setValue(settings.value("iterations", 15).toInt());
     // m_integration_range->setCurrentText(settings.value("integration_range", m_Peak_Cut_Options[0]).toString());
-    QTableWidgetItem* item = new QTableWidgetItem(QString::number(m_peaks_start->value()));
+    PeakRule* item = new PeakRule(QString::number(m_peaks_start->value()));
     m_peak_rule_list->setItem(m_current_peaks_rule, 0, item);
-    item = new QTableWidgetItem(QString::number(m_peaks_time->value()));
+    item = new PeakRule(QString::number(m_peaks_time->value()));
     m_peak_rule_list->setItem(m_current_peaks_rule, 1, item);
 
     connect(m_integration_range, &QComboBox::currentTextChanged, this, &ThermogramWidget::CutAllLimits);
@@ -508,14 +510,17 @@ void ThermogramWidget::setThermogram(PeakPick::spectrum* spec, qreal offset)
 
 void ThermogramWidget::setPeakList(const std::vector<PeakPick::Peak>& peak_list)
 {
+    if (peak_list.size() == 0)
+        return;
+
     const QSignalBlocker blocker_a(m_peaks_time);
     const QSignalBlocker blocker_b(m_peaks_start);
 
     double time_pred = 0;
     m_peak_list = peak_list;
     m_peak_rule_list->clear();
     int row = 0;
-    for (int i = 0; i < m_peak_list.size(); ++i) {
+    for (std::size_t i = 0; i < m_peak_list.size(); ++i) {
         double time = m_peak_list[i].end * m_spec.Step() - m_peak_list[i].start * m_spec.Step() + m_spec.Step();
         double start = m_peak_list[i].start * m_spec.Step() - m_spec.Step();
         if (!qFuzzyCompare(time_pred, time)) {
@@ -873,21 +878,22 @@ void ThermogramWidget::setFit(const QJsonObject& fit)
     QList<QPointF> points = ToolSet::String2Points(fit["rules_list"].toString());
     m_peak_rule_list->setRowCount(points.size());
     for (int i = 0; i < m_peak_rule_list->rowCount(); ++i) {
-        QTableWidgetItem* item = new QTableWidgetItem(QString::number(points[i].x()));
+        PeakRule* item = new PeakRule(QString::number(points[i].x()));
         m_peak_rule_list->setItem(i, 0, item);
 
-        item = new QTableWidgetItem(QString::number(points[i].y()));
+        item = new PeakRule(QString::number(points[i].y()));
         m_peak_rule_list->setItem(i, 1, item);
     }
     UpdatePeaks();
     points = ToolSet::String2Points(fit["peak_int_ranges"].toString());
-    for (int i = 0; i < m_peak_list.size(); ++i) {
+    for (std::size_t i = 0; i < m_peak_list.size(); ++i) {
         m_peak_list[i].int_start = points[i].x();
         m_peak_list[i].int_end = points[i].y();
     }
     FitBaseLine();
     Update();
     m_block = false;
+    setEnabled(true);
 }
 
 QJsonObject ThermogramWidget::Fit() const
@@ -962,11 +968,11 @@ void ThermogramWidget::UpdatePeaks()
     m_peak_list.clear();
     PeakPick::Peak peak;
 
-
     for (int j = 0; j < rules_size; ++j) {
-        QTableWidgetItem* item = (m_peak_rule_list->item(j, 0));
+        PeakRule* item = dynamic_cast<PeakRule*>(m_peak_rule_list->item(j, 0));
         double index_start = m_spec.XtoIndex(item->data(Qt::DisplayRole).toDouble());
-        item = m_peak_rule_list->item(j, 1);
+        item = dynamic_cast<PeakRule*>(m_peak_rule_list->item(j, 1));
+
         double timestep = item->data(Qt::DisplayRole).toDouble() / m_spec.Step();
         if (timestep <= 0) {
             m_guide_label->setText(QString("<font color='red'>Sorry, but Peak rule %1 contains a zero as peak time. That means, if I did not stop right here, you would be waiting for Godot</font>").arg(j + 1));

src/ui/widgets/thermogramwidget.h

@@ -44,12 +44,14 @@ class ScatterSeries;
 
 class PeakRule : public QTableWidgetItem {
 public:
+    PeakRule() = default;
+
     PeakRule(const QString& str)
         : QTableWidgetItem(str)
     {
     }
 
-    bool operator<(const QTableWidgetItem& other) const
+    bool operator<(const QTableWidgetItem& other) const override
     {
         return (this->text().toDouble() < other.text().toDouble());
     }