Update to use rich text delegate and charged formula

Signed-off-by: Geoff Hutchison <[email protected]>
ghutchis · Oct 28, 2024 · 6730c3c · 6730c3c
1 parent dd4b6af
commit 6730c3c
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Showing 5 changed files with 15 additions and 473 deletions.
diff --git a/avogadro/qtplugins/molecularproperties/molecularmodel.cpp b/avogadro/qtplugins/molecularproperties/molecularmodel.cpp
@@ -59,9 +59,9 @@ int MolecularModel::columnCount(const QModelIndex& parent) const
   return 1; // values
 }
 
-QString formatFormula(std::string f)
+QString formatFormula(Molecule* m)
 {
-  QString formula = QString::fromStdString(f);
+  QString formula = QString::fromStdString(molecule->formula());
   QRegularExpression digitParser("(\\d+)");
 
   QRegularExpressionMatchIterator i = digitParser.globalMatch(formula);
@@ -74,6 +74,12 @@ QString formatFormula(std::string f)
                     QString("<sub>%1</sub>").arg(digits));
     offset += 11; // length of <sub>...</sub>
   }
+
+  // add total charge as a superscript
+  int charge = m->totalCharge();
+  if (charge != 0)
+    formula += QString("<sup>%1</sup>").arg(charge);
+
   return formula;
 }
 
@@ -105,7 +111,7 @@ QVariant MolecularModel::data(const QModelIndex& index, int role) const
   } else if (row == Mass) {
     return m_molecule->mass();
   } else if (row == Formula) {
-    return formatFormula(m_molecule->formula());
+    return formatFormula(m_molecule);
   } else if (row == Atoms) {
     return QVariant::fromValue(m_molecule->atomCount());
   } else if (row == Bonds) {

diff --git a/avogadro/qtplugins/molecularproperties/molecularproperties.cpp b/avogadro/qtplugins/molecularproperties/molecularproperties.cpp
@@ -6,13 +6,17 @@
 #include "molecularproperties.h"
 #include "molecularview.h"
 
+#include <avogadro/qtgui/richtextdelegate.h>
+
 #include <QAction>
 #include <QStringList>
 #include <QtWidgets/QDialog>
 #include <QtWidgets/QHeaderView>
 #include <QtWidgets/QScrollBar>
 #include <QtWidgets/QVBoxLayout>
 
+using Avogadro::QtGui::RichTextDelegate;
+
 namespace Avogadro::QtPlugins {
 
 MolecularProperties::MolecularProperties(QObject* parent_)
@@ -69,6 +73,8 @@ void MolecularProperties::showDialog()
   view->setSourceModel(model);
   view->setModel(model);
 
+  view->setItemDelegateForColumn(0, new RichTextDelegate(view));
+
   view->setHorizontalScrollBarPolicy(Qt::ScrollBarAlwaysOff);
   view->resizeColumnsToContents();
 

diff --git a/avogadro/qtplugins/molecularproperties/molecularpropertiesdialog.cpp b/avogadro/qtplugins/molecularproperties/molecularpropertiesdialog.cpp
diff --git a/avogadro/qtplugins/molecularproperties/molecularpropertiesdialog.h b/avogadro/qtplugins/molecularproperties/molecularpropertiesdialog.h