BALL  1.5.0
MMFF94ConfigurationDialog.h
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1 // -*- Mode: C++; tab-width: 2; -*-
2 // vi: set ts=2:
3 //
4 
5 #ifndef BALL_VIEW_DIALOGS_MMFF94CONFIGURATIONDIALOG_H
6 #define BALL_VIEW_DIALOGS_MMFF94CONFIGURATIONDIALOG_H
7 
8 #ifndef BALL_COMMON_GLOBAL_H
9 # include <BALL/COMMON/global.h>
10 #endif
11 
12 #ifndef BALL_VIEW_KERNEL_PREFERENCESENTRY
14 #endif
15 
16 #include <BALL/VIEW/UIC/ui_MMFF94ConfigurationDialog.h>
17 
18 namespace BALL
19 {
20  class MMFF94;
21 
22  namespace VIEW
23  {
24  class MolecularStructure;
25 
30  : public QDialog,
31  public Ui_MMFF94ConfigurationDialogData,
32  public PreferencesEntry
33  {
34  friend class MolecularStructure;
35 
36  Q_OBJECT
37 
38  public:
39 
41  MMFF94ConfigurationDialog(QWidget* parent = NULL, const char* name = "MMFF94ConfigurationDialog");
42 
44  virtual ~MMFF94ConfigurationDialog();
45 
46  public Q_SLOTS:
47 
49  virtual void resetOptions();
50 
52  void accept();
53 
55  void reject();
56 
58  void applyTo(MMFF94& mmff);
59 
60  protected Q_SLOTS:
61 
62  virtual void browseParameterFiles();
63 
64  protected:
65 
66  void setMMFF94(MMFF94& mmff);
67 
68  void chooseSolventFile();
69 
70  private:
71  String getValue_(const QCheckBox* box) const;
72 
74  float getValue_(const QLineEdit* edit) const;
75 
76  MMFF94* mmff_;
77  };
78  }
79 }
80 #endif
QLineEdit
BALL_VIEW_EXPORT
#define BALL_VIEW_EXPORT
Definition: COMMON/global.h:52
BALL::MMFF94
Definition: MMFF94.h:49
QWidget
QDialog
BALL
Definition: constants.h:12
BALL::VIEW::MMFF94ConfigurationDialog
Definition: MMFF94ConfigurationDialog.h:29
BALL::String
Definition: string.h:56
BALL::VIEW::PreferencesEntry
Definition: preferencesEntry.h:68
preferencesEntry.h
global.h
BALL::VIEW::MolecularStructure
Definition: molecularStructure.h:90