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FDPBDialog.h
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1 // -*- Mode: C++; tab-width: 2; -*-
2 // vi: set ts=2:
3 //
4 #ifndef BALL_VIEW_DIALOGS_FDPBDIALOG_H
5 #define BALL_VIEW_DIALOGS_FDPBDIALOG_H
6 
7 #ifndef BALL_COMMON_GLOBAL_H
8 # include <BALL/COMMON/global.h>
9 #endif
10 
11 #ifndef BALL_VIEW_KERNEL_MODULARWIDGET_H
12 # include <BALL/VIEW/KERNEL/modularWidget.h>
13 #endif
14 
15 #ifndef BALL_VIEW_KERNEL_PREFERENCESENTRY
16 # include <BALL/VIEW/KERNEL/preferencesEntry.h>
17 #endif
18 
19 #ifndef BALL_SOLVATION_POISSONBOLTZMANN_H
20 # include <BALL/SOLVATION/poissonBoltzmann.h>
21 #endif
22 
23 #ifndef BALL_MOLMEC_COMMON_RADIUSRULEPROCESSOR_H
24 # include <BALL/MOLMEC/COMMON/radiusRuleProcessor.h>
25 #endif
26 
27 #ifndef BALL_MOLMEC_COMMON_CHARGERULEPROCESSOR_H
28 # include <BALL/MOLMEC/COMMON/chargeRuleProcessor.h>
29 #endif
30 
31 #ifndef BALL_STRUCTURE_DEFAULTPROCESSORS_H
32 # include <BALL/STRUCTURE/defaultProcessors.h>
33 #endif
34 
35 #include <BALL/VIEW/UIC/ui_FDPBDialog.h>
36 
37 class QLineEdit;
38 
39 namespace BALL
40 {
41  namespace VIEW
42  {
43 
44  class CalculateFDPBThread;
45 
49  class BALL_VIEW_EXPORT FDPBDialog
50  : public QDialog,
51  public Ui_FDPBDialogData,
52  public ModularWidget,
53  public PreferencesEntry
54  {
55  friend class CalculateFDPBThread;
56 
57  Q_OBJECT
58 
59  public:
60 
61  BALL_EMBEDDABLE(FDPBDialog,ModularWidget)
62 
63 
64  FDPBDialog(QWidget* parent = 0, const char* name = "FDPBDialog",
65  bool modal = FALSE, Qt::WFlags fl = 0);
66 
68  virtual ~FDPBDialog();
69 
71  bool calculate();
72 
74  FDPB& getFDPBSolver()
75  {return fdpb_;}
76 
78  void setSystem(System* system)
79  {system_ = system;}
80 
82  System* getSystem()
83  { return system_;}
84 
85 
86  public slots:
87 
89  virtual void browseChargesData();
90 
92  virtual void browseChargesRules();
93 
95  virtual void browseRadiiData();
96 
98  virtual void browseRadiiRules();
99 
101  virtual void accept();
102 
104  virtual void resetPressed();
105 
106  protected slots:
107  virtual void clicked(QAbstractButton* button);
108 
109  protected:
110 
111  void calculate_();
112  void selectFile_(QLineEdit& lineedit);
113  void applyValues_();
114  bool applyProcessors_();
115 
116  FDPB fdpb_;
117  Options options_;
118  System* system_;
119 
120  RadiusRuleProcessor radius_rule_processor_;
121  ChargeRuleProcessor charge_rule_processor_;
122  AssignRadiusProcessor radius_processor_;
123  AssignChargeProcessor charge_processor_;
124  CalculateFDPBThread* thread_;
125  };
126 
127 } } // Namespaces
128 #endif
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