Forcefields list on Forcefields panel now displays original filename …

…as tooltip. Made Forcefield plugin-aware. Updated forcefield editor so that it doesn't allow overwriting of Forcefields in anything other than Aten's own format.

src/ff/forcefield.cpp

@@ -39,6 +39,8 @@ Forcefield::Forcefield() : ListItem<Forcefield>()
 {
 	// Private variables
 	energyUnit_ = Prefs::KiloJoules;
+	plugin_ = NULL;
+
 	// Create _NDEF_ type common to all FFs)
 	ForcefieldAtom* ffa = types_.add();
 	ffa->setParent(this);
@@ -83,6 +85,18 @@ QString Forcefield::filename()
 	return filename_;
 }
 
+// Sets the plugin used to load the Forcefield
+void Forcefield::setPlugin(FilePluginInterface* plugin)
+{
+	plugin_ = plugin;
+}
+
+// Return the plugin used to load the Forcefield
+FilePluginInterface* Forcefield::plugin() const
+{
+	return plugin_;
+}
+
 // Return internal energy unit of forcefield
 Prefs::EnergyUnit Forcefield::energyUnit()
 {

src/ff/forcefield.h

@@ -36,6 +36,7 @@ ATEN_BEGIN_NAMESPACE
 class Atom;
 class ForcefieldAtom;
 class ForcefieldBound;
+class FilePluginInterface;
 
 // Forcefield
 class Forcefield : public ListItem<Forcefield>
@@ -57,6 +58,8 @@ class Forcefield : public ListItem<Forcefield>
 	private:
 	// Title of Forcefield
 	QString name_;
+	// Plugin used to load / save the Forcefield (if any)
+	FilePluginInterface* plugin_;
 	// Filename
 	QString filename_;
 	// Energy unit of the forcefield parameters
@@ -71,6 +74,10 @@ class Forcefield : public ListItem<Forcefield>
 	void setFilename(QString filename);
 	// Return filename
 	QString filename();
+	// Sets the plugin used to load the Forcefield
+	void setPlugin(FilePluginInterface* plugin);
+	// Return the plugin used to load the Forcefield
+	FilePluginInterface* plugin() const;
 	// Return internal energy unit of forcefield
 	Prefs::EnergyUnit energyUnit();
 	// Set internal energy unit of forcefield

src/gui/ffeditor_funcs.cpp

@@ -28,6 +28,7 @@
 #include "gui/tintegerspindelegate.hui"
 #include "ff/forcefield.h"
 #include "model/model.h"
+#include "plugins/interfaces/fileplugin.h"
 #include "base/forcefieldatom.h"
 #include "base/forcefieldbound.h"
 #include "templates/variantpointer.h"
@@ -107,6 +108,9 @@ void AtenForcefieldEditor::populate(Forcefield* ff)
 	ui.FFEditorForcefieldLabel1->setText(ff->name());
 	ui.FFEditorForcefieldLabel2->setText(ff->filename());
 
+	// Save buttons
+	ui.SaveButton->setEnabled(ff->plugin() && ff->plugin()->name() == "Aten Forcefield Format");
+
 	// Types List
 	count = 0;
 	ui.FFEditorTypesTable->setRowCount(ff->nTypes()-1);
@@ -370,8 +374,8 @@ void AtenForcefieldEditor::boundFunctionChanged(QComboBox* sender, int i, Forcef
 			if (ffb->type() == ForcefieldBound::UreyBradleyInteraction) updateImpropersLabels(ffb);
 			else updateTorsionsLabels(ffb);
 			break;
-    default:
-      break;
+		default:
+			break;
 	}
 }
 
@@ -454,6 +458,8 @@ void AtenForcefieldEditor::on_FFEditorTypesTable_itemChanged(QTableWidgetItem *w
 		case (TypeColumn::Description):
 			ffa->setDescription(qPrintable(w->text()));
 			break;
+		default:
+			break;
 	}
 	updating_ = false;
 }
@@ -545,6 +551,8 @@ void AtenForcefieldEditor::on_FFEditorAtomsTable_itemChanged(QTableWidgetItem *w
 			n = column - AtomColumn::Data1;
 			ffa->setParameter(n, atof(qPrintable(w->text())));
 			break;
+		default:
+			break;
 	}
 	updating_ = false;
 }
@@ -628,6 +636,8 @@ void AtenForcefieldEditor::on_FFEditorBondsTable_itemChanged(QTableWidgetItem *w
 			n = column - BondColumn::Data1;
 			ffb->setParameter(n, atof(qPrintable(w->text())));
 			break;
+		default:
+			break;
 	}
 	updating_ = false;
 }
@@ -712,6 +722,8 @@ void AtenForcefieldEditor::on_FFEditorAnglesTable_itemChanged(QTableWidgetItem *
 			n = column - AngleColumn::Data1;
 			ffb->setParameter(n, atof(qPrintable(w->text())));
 			break;
+		default:
+			break;
 	}
 	updating_ = false;
 }
@@ -805,6 +817,8 @@ void AtenForcefieldEditor::on_FFEditorTorsionsTable_itemChanged(QTableWidgetItem
 			n = column - TorsionColumn::Data1;
 			ffb->setParameter(n, atof(qPrintable(w->text())));
 			break;
+		default:
+			break;
 	}
 	updating_ = false;
 }
@@ -884,6 +898,8 @@ void AtenForcefieldEditor::on_FFEditorImpropersTable_itemChanged(QTableWidgetIte
 			n = column - TorsionColumn::Data1;
 			ffb->setParameter(n, atof(qPrintable(w->text())));
 			break;
+		default:
+			break;
 	}
 	updating_ = false;
 }
@@ -962,6 +978,8 @@ void AtenForcefieldEditor::on_FFEditorUreyBradleysTable_itemChanged(QTableWidget
 			n = column - AngleColumn::Data1;
 			ffb->setParameter(n, atof(qPrintable(w->text())));
 			break;
+		default:
+			break;
 	}
 	updating_ = false;
 }

src/gui/mainwindow_panel_forcefields.cpp

@@ -22,7 +22,6 @@
 #include "gui/mainwindow.h"
 #include "main/aten.h"
 #include "ff/forcefield.h"
-// #include "gui/selectfilter.h"
 #include "gui/ffeditor.h"
 #include <QFileDialog>
 
@@ -35,12 +34,14 @@ void AtenWindow::updateForcefieldsPanel(Model* sourceModel)
 
 	// Forcefields list
 	ui.ForcefieldsList->clear();
-	int n = 0;
-	for (Forcefield* ff = aten_.forcefields(); ff != NULL; ff = ff->next)
+	int count = 0;
+	for (Forcefield* ff = aten_.forcefields(); ff != NULL; ff = ff->next, ++count)
 	{
-		ui.ForcefieldsList->addItem(ff->name());
-		if (ff == aten_.currentForcefield()) ui.ForcefieldsList->setCurrentRow(n);
-		++n;
+		QListWidgetItem* item = new QListWidgetItem(ff->name());
+		item->setFlags(Qt::ItemIsSelectable | Qt::ItemIsEnabled);
+		item->setToolTip(QString("File: '%1'").arg(ff->filename()));
+		ui.ForcefieldsList->addItem(item);
+		if (ff == aten_.currentForcefield()) ui.ForcefieldsList->setCurrentRow(count);
 	}
 	ui.ForcefieldsManageRemoveButton->setEnabled(currentForcefield);
 	ui.ForcefieldsManageEditButton->setEnabled(currentForcefield);

src/main/importexport.cpp

@@ -108,7 +108,7 @@ void Aten::processImportedObjects(FilePluginInterface* plugin, QString filename)
 
 		// Set source filename and plugin interface used
 		ff->setFilename(filename);
-// 		ff->setPlugin(plugin);
+		ff->setPlugin(plugin);
 
 		// Pass the model pointer to Aten 
 		ownForcefield(ff);