molecularFileDialog.h

Go to the documentation of this file.

// -*- Mode: C++; tab-width: 2; -*-
// vi: set ts=2:
//

#ifndef BALL_VIEW_DIALOGS_MOLECULARFILEDIALOG_H
#define BALL_VIEW_DIALOGS_MOLECULARFILEDIALOG_H

#ifndef BALL_COMMON_GLOBAL_H
# include <BALL/COMMON/global.h>
#endif

#ifndef BALL_VIEW_KERNEL_MODULARWIDGET_H
# include <BALL/VIEW/KERNEL/modularWidget.h>
#endif

#ifndef BALL_VIEW_KERNEL_COMMON_H
# include <BALL/VIEW/KERNEL/common.h>
#endif

class QMenu;

namespace BALL
{
  class System;

  namespace VIEW
  {

    class BALL_VIEW_EXPORT MolecularFileDialog
      : public QWidget,
        public ModularWidget
    {
      Q_OBJECT
      public:
      BALL_EMBEDDABLE(MolecularFileDialog, ModularWidget)

      
      MolecularFileDialog(QWidget* parent = 0, const char* name = "MolecularFileDialog");

      virtual ~MolecularFileDialog();

      virtual void initializeWidget(MainControl& main_control);

      virtual bool canHandle(const String& fileformat) const;

      virtual bool openFile(const String& filename);

      virtual System* openMolecularFile(const String& file);

      virtual System* openMolecularFile(const String& filename, 
                                        const String& filetype, 
                                        const String& system_name);


      System* openPDBFile();

      System* openHINFile();

      System* openMOLFile();

      System* openMOL2File();

      System* openSDFile();
      
      System* openACFile();

      System* openXYZFile();

      System* readPDBFile(String filename, String system_name);

      System* readHINFile(String filename, String system_name);

      System* readMOLFile(String filename, String system_name);

      System* readMOL2File(String filename, String system_name);

      System* readSDFile(String filename, String system_name);
      
      System* readACFile(String filename, String system_name);
      
      System* readXYZFile(String filename, String system_name);

      bool writePDBFile(String filename, const System& system);
      
      bool writeHINFile(String filename, const System& system);
      
      bool writeMOLFile(String filename, const System& system);
      
      bool writeMOL2File(String filename, const System& system);

      bool writeSDFile(String filename, const System& system);

      bool writeACFile(String filename, const System& system);

      bool writeXYZFile(String filename, const System& system);
      
      virtual void checkMenu(MainControl& main_control);

      virtual String getSupportedFileFormats() const;

      virtual String getSupportedFileFormatsList() const;

      void setReadPDBModels(bool read) { read_all_pdb_models_ = read; }

      public slots:

      virtual void readFiles();

      virtual bool writeFile();


      protected:

      virtual void onNotify(Message *message);

      // Only for Python interface
      MolecularFileDialog(const MolecularFileDialog& mfd);


      virtual bool finish_(const String& filename, const String& system_name, System* system);

      System* openFile_(String type);

      enum FileFormats
      {
        PDB_FILE = 0,
        HIN_FILE,
        MOL_FILE,
        MOL2_FILE,
        SD_FILE,
        XYZ_FILE
      };

      QAction* save_id_, *open_id_;
      String file_format_;
      bool read_all_pdb_models_;
    };

  } // namespace VIEW
} // namespace BALL

#endif // BALL_VIEW_DIALOGS_MOLECULARFILEDIALOG_H

---