MMFF94ConfigurationDialog.h

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

#ifndef BALL_VIEW_DIALOGS_MMFF94CONFIGURATIONDIALOG_H
#define BALL_VIEW_DIALOGS_MMFF94CONFIGURATIONDIALOG_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_MMFF94ConfigurationDialog.h>

namespace BALL
{
  class MMFF94;
  
  namespace VIEW
  {
    class MolecularStructure;

    class BALL_VIEW_EXPORT MMFF94ConfigurationDialog
      : public QDialog,
        public Ui_MMFF94ConfigurationDialogData,
        public PreferencesEntry
    {
      friend class MolecularStructure;

      Q_OBJECT
      
      public:

      MMFF94ConfigurationDialog(QWidget* parent = NULL, const char* name = "MMFF94ConfigurationDialog");

      virtual ~MMFF94ConfigurationDialog();
      
      public slots:

      virtual void resetOptions();
      
      void accept();

      void reject();

      void applyTo(MMFF94& mmff);

      protected slots:

      virtual void browseParameterFiles();

      protected:

      void setMMFF94(MMFF94& mmff);

      void chooseSolventFile();

      private:
      String getValue_(const QCheckBox* box) const;
      float getValue_(const QLineEdit* edit) const
        throw(Exception::InvalidFormat);

      MMFF94* mmff_;
    };
  }
}
#endif

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