File indexing completed on 2024-04-14 03:40:18

 /*
     SPDX-FileCopyrightText: 2006 Carsten Niehaus <cniehaus@kde.org>
     SPDX-FileCopyrightText: 2007-2008 Marcus D. Hanwell <marcus@cryos.org>
     SPDX-License-Identifier: GPL-2.0-or-later
 */
 
 #ifndef MOLECULEVIEW_H
 #define MOLECULEVIEW_H
 
 #include <QDialog>
 #include <avogadro/qtgui/molecule.h>
 
 #include "ui_moleculeviewerwidget.h"
 
 namespace OpenBabel
 {
 class OBForceField;
 }
 namespace Avogadro
 {
 namespace QtGui
 {
 class PeriodicTableView;
 }
 }
 class QSettings;
 
 /**
  * @author Carsten Niehaus
  */
 class MoleculeDialog : public QDialog
 {
     Q_OBJECT
 
 public:
     explicit MoleculeDialog(QWidget *parent);
     ~MoleculeDialog();
 
     void loadMolecule(const QString &filename);
 
 private:
     QString m_path; /// to store the path were the molecules are located
     QList<int> m_elementsIndex; // Index storing the element combo index
     Avogadro::QtGui::PeriodicTableView *m_periodicTable;
     OpenBabel::OBForceField *m_forceField;
     QSettings *m_drawSettings;
 
     Ui::moleculeViewerForm ui;
 
 private slots:
     /**
      * Load a molecule
      */
     void slotLoadMolecule();
 
     /**
      * Update the currently active scene plugin.
      */
     void slotUpdateScenePlugin();
 
     /**
      * Get a new molecule using hot new stuff
      */
     void slotDownloadNewStuff();
 
     /**
      * Save a molecule
      */
     void slotSaveMolecule();
 
     /**
      * Set view/edit mode
      */
     void setViewEdit(int mode);
 
     /**
      * Update the statistical information about the current molecule
      */
     void slotUpdateStatistics();
 
     /**
      * Geometry optimization
      */
     void slotGeometryOptimize();
 
     /// Clears the view
     void clearAllElementsInEditor();
 
 private:
     // workaround for broken copy-operator of QtGui::Molecule
     // would be removed after next Avogadro release greater 0.9
     Avogadro::QtGui::Molecule m_molecule;
 };
 
 #endif // MOLECULEVIEW_H