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MMFF94ConfigurationDialog.h
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// -*- Mode: C++; tab-width: 2; -*-
// vi: set ts=2:
//
#ifndef BALL_VIEW_DIALOGS_MMFF94CONFIGURATIONDIALOG_H
#define BALL_VIEW_DIALOGS_MMFF94CONFIGURATIONDIALOG_H
#ifndef BALL_COMMON_GLOBAL_H
# include <BALL/COMMON/global.h>
#endif
#ifndef BALL_VIEW_KERNEL_PREFERENCESENTRY
# include <BALL/VIEW/KERNEL/preferencesEntry.h>
#endif
#include <BALL/VIEW/UIC/ui_MMFF94ConfigurationDialog.h>
namespace BALL
{
class MMFF94;
namespace VIEW
{
class MolecularStructure;
class BALL_VIEW_EXPORT MMFF94ConfigurationDialog
: public QDialog,
public Ui_MMFF94ConfigurationDialogData,
public PreferencesEntry
{
friend class MolecularStructure;
Q_OBJECT
public:
MMFF94ConfigurationDialog(QWidget* parent = NULL, const char* name = "MMFF94ConfigurationDialog");
virtual ~MMFF94ConfigurationDialog();
public Q_SLOTS:
virtual void resetOptions();
void accept();
void reject();
void applyTo(MMFF94& mmff);
protected Q_SLOTS:
virtual void browseParameterFiles();
protected:
void setMMFF94(MMFF94& mmff);
void chooseSolventFile();
private:
String getValue_(const QCheckBox* box) const;
float getValue_(const QLineEdit* edit) const;
MMFF94* mmff_;
};
}
}
#endif
global.h
BALL_VIEW_EXPORT
#define BALL_VIEW_EXPORT
Definition COMMON/global.h:52
BALL::MMFF94
Definition MMFF94.h:51
BALL::String
Definition string.h:57
BALL::VIEW::MMFF94ConfigurationDialog::reject
void reject()
BALL::VIEW::MMFF94ConfigurationDialog::applyTo
void applyTo(MMFF94 &mmff)
apply the settings to a given MMFF94 force field
BALL::VIEW::MMFF94ConfigurationDialog::resetOptions
virtual void resetOptions()
BALL::VIEW::MMFF94ConfigurationDialog::setMMFF94
void setMMFF94(MMFF94 &mmff)
BALL::VIEW::MMFF94ConfigurationDialog::~MMFF94ConfigurationDialog
virtual ~MMFF94ConfigurationDialog()
Destructor.
BALL::VIEW::MMFF94ConfigurationDialog::MMFF94ConfigurationDialog
MMFF94ConfigurationDialog(QWidget *parent=NULL, const char *name="MMFF94ConfigurationDialog")
Constructor.
BALL::VIEW::MMFF94ConfigurationDialog::MolecularStructure
friend class MolecularStructure
Definition MMFF94ConfigurationDialog.h:34
BALL::VIEW::MMFF94ConfigurationDialog::browseParameterFiles
virtual void browseParameterFiles()
BALL::VIEW::MMFF94ConfigurationDialog::accept
void accept()
BALL::VIEW::MMFF94ConfigurationDialog::chooseSolventFile
void chooseSolventFile()
BALL::VIEW::MolecularStructure
Definition molecularStructure.h:93
BALL::VIEW::PreferencesEntry::PreferencesEntry
PreferencesEntry()
QDialog
QLineEdit
QWidget
BALL::VIEW
Definition constraints.h:35
BALL
Definition constants.h:13
preferencesEntry.h