BALL
1.4.1
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00001 // -*- Mode: C++; tab-width: 2; -*- 00002 // vi: set ts=2: 00003 // 00004 00005 #ifndef BALL_VIEW_DIALOGS_MMFF94CONFIGURATIONDIALOG_H 00006 #define BALL_VIEW_DIALOGS_MMFF94CONFIGURATIONDIALOG_H 00007 00008 #ifndef BALL_COMMON_GLOBAL_H 00009 # include <BALL/COMMON/global.h> 00010 #endif 00011 00012 #ifndef BALL_VIEW_KERNEL_PREFERENCESENTRY 00013 # include <BALL/VIEW/KERNEL/preferencesEntry.h> 00014 #endif 00015 00016 #include <BALL/VIEW/UIC/ui_MMFF94ConfigurationDialog.h> 00017 00018 namespace BALL 00019 { 00020 class MMFF94; 00021 00022 namespace VIEW 00023 { 00024 class MolecularStructure; 00025 00029 class BALL_VIEW_EXPORT MMFF94ConfigurationDialog 00030 : public QDialog, 00031 public Ui_MMFF94ConfigurationDialogData, 00032 public PreferencesEntry 00033 { 00034 friend class MolecularStructure; 00035 00036 Q_OBJECT 00037 00038 public: 00039 00041 MMFF94ConfigurationDialog(QWidget* parent = NULL, const char* name = "MMFF94ConfigurationDialog"); 00042 00044 virtual ~MMFF94ConfigurationDialog(); 00045 00046 public slots: 00047 00049 virtual void resetOptions(); 00050 00052 void accept(); 00053 00055 void reject(); 00056 00058 void applyTo(MMFF94& mmff); 00059 00060 protected slots: 00061 00062 virtual void browseParameterFiles(); 00063 00064 protected: 00065 00066 void setMMFF94(MMFF94& mmff); 00067 00068 void chooseSolventFile(); 00069 00070 private: 00071 String getValue_(const QCheckBox* box) const; 00072 float getValue_(const QLineEdit* edit) const 00073 throw(Exception::InvalidFormat); 00074 00075 MMFF94* mmff_; 00076 }; 00077 } 00078 } 00079 #endif