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
18namespace 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
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
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
Definition: constants.h:13
void applyTo(MMFF94 &mmff)
apply the settings to a given MMFF94 force field
virtual ~MMFF94ConfigurationDialog()
Destructor.
MMFF94ConfigurationDialog(QWidget *parent=NULL, const char *name="MMFF94ConfigurationDialog")
Constructor.
#define BALL_VIEW_EXPORT
Definition: COMMON/global.h:52