amberConfigurationDialog.h

00001 // -*- Mode: C++; tab-width: 2; -*-
00002 // vi: set ts=2:
00003 //
00004 // $Id: amberConfigurationDialog.h,v 1.7.16.1 2007-03-25 21:25:43 oliver Exp $
00005 //
00006 
00007 #ifndef BALL_VIEW_DIALOGS_AMBERCONFIGURATIONDIALOG_H
00008 #define BALL_VIEW_DIALOGS_AMBERCONFIGURATIONDIALOG_H
00009 
00010 #include <BALL/VIEW/UIC/amberConfigurationDialogData.h>
00011 
00012 #ifndef BALL_VIEW_KERNEL_PREFERENCESENTRY
00013 # include <BALL/VIEW/KERNEL/preferencesEntry.h>
00014 #endif
00015 
00016 namespace BALL
00017 {
00018   class AmberFF;
00019   
00020   namespace VIEW
00021   {
00022     class MolecularStructure;
00023 
00027     class BALL_VIEW_EXPORT AmberConfigurationDialog
00028       : public QDialog,
00029         public Ui_AmberConfigurationDialogData,
00030         public PreferencesEntry
00031     {
00032       friend class MolecularStructure;
00033 
00034       Q_OBJECT
00035       
00036       public:
00037 
00039       AmberConfigurationDialog(QWidget* parent = NULL, const char* name = "AmberConfiguration");
00040 
00042       virtual ~AmberConfigurationDialog();
00043       
00044       public slots:
00045 
00047       void accept();
00048 
00050       void reject();
00051 
00053       virtual void resetOptions();
00054       
00056       void applyTo(AmberFF& amber)
00057         throw();
00058 
00059       //_
00060       void periodicBoundaryClicked()
00061         throw();
00062 
00063       protected slots:
00064 
00065       virtual void browseParameterFiles();
00066 
00067       protected:
00068 
00069       void setAmberFF(AmberFF& amber)
00070         throw();
00071 
00072       void chooseSolventFile()
00073         throw();
00074 
00075       private:
00076 
00077       String getValue_(const QCheckBox* box) const;
00078 
00079       float getValue_(const QLineEdit* edit) const
00080         throw(Exception::InvalidFormat);
00081 
00082       AmberFF* amber_;
00083     };
00084   }
00085 }
00086 #endif