amberConfigurationDialog.h

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

#ifndef BALL_VIEW_DIALOGS_AMBERCONFIGURATIONDIALOG_H
#define BALL_VIEW_DIALOGS_AMBERCONFIGURATIONDIALOG_H

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

#ifndef BALL_VIEW_KERNEL_PREFERENCESENTRY
# include <BALL/VIEW/KERNEL/preferencesEntry.h>
#endif

#include <BALL/VIEW/UIC/ui_amberConfigurationDialog.h>

namespace BALL
{
  class AmberFF;
  
  namespace VIEW
  {
    class MolecularStructure;

    class BALL_VIEW_EXPORT AmberConfigurationDialog
      : public QDialog,
        public Ui_AmberConfigurationDialogData,
        public PreferencesEntry
    {
      friend class MolecularStructure;

      Q_OBJECT
      
      public:

      AmberConfigurationDialog(QWidget* parent = NULL, const char* name = "AmberConfiguration");

      virtual ~AmberConfigurationDialog();
      
      public slots:

      void accept();

      void reject();

      virtual void resetOptions();
      
      void applyTo(AmberFF& amber);

      //_
      void periodicBoundaryClicked();

      protected slots:

      virtual void browseParameterFiles();

      protected:

      void setAmberFF(AmberFF& amber);

      void chooseSolventFile();

      private:

      String getValue_(const QCheckBox* box) const;

      float getValue_(const QLineEdit* edit) const
        throw(Exception::InvalidFormat);

      AmberFF* amber_;
    };
  }
}
#endif