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amberConfigurationDialog.h
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// -*- Mode: C++; tab-width: 2; -*-
// vi: set ts=2:
//
#ifndef BALL_VIEW_DIALOGS_AMBERCONFIGURATIONDIALOG_H
#define BALL_VIEW_DIALOGS_AMBERCONFIGURATIONDIALOG_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_amberConfigurationDialog.h>
namespace BALL
{
class AmberFF;
namespace VIEW
{
class MolecularStructure;
class BALL_VIEW_EXPORT AmberConfigurationDialog
: public QDialog,
public Ui_AmberConfigurationDialogData,
public PreferencesEntry
{
friend class MolecularStructure;
Q_OBJECT
public:
AmberConfigurationDialog(QWidget* parent = NULL, const char* name = "AmberConfiguration");
virtual ~AmberConfigurationDialog();
public Q_SLOTS:
void accept();
void reject();
virtual void resetOptions();
void applyTo(AmberFF& amber);
//_
void periodicBoundaryClicked();
protected Q_SLOTS:
virtual void browseParameterFiles();
protected:
void setAmberFF(AmberFF& amber);
void chooseSolventFile();
private:
String getValue_(const QCheckBox* box) const;
float getValue_(const QLineEdit* edit) const;
AmberFF* amber_;
};
}
}
#endif
global.h
BALL_VIEW_EXPORT
#define BALL_VIEW_EXPORT
Definition COMMON/global.h:52
BALL::AmberFF
Definition amber.h:33
BALL::String
Definition string.h:57
BALL::VIEW::AmberConfigurationDialog::chooseSolventFile
void chooseSolventFile()
BALL::VIEW::AmberConfigurationDialog::resetOptions
virtual void resetOptions()
BALL::VIEW::AmberConfigurationDialog::~AmberConfigurationDialog
virtual ~AmberConfigurationDialog()
Destructor.
BALL::VIEW::AmberConfigurationDialog::browseParameterFiles
virtual void browseParameterFiles()
BALL::VIEW::AmberConfigurationDialog::applyTo
void applyTo(AmberFF &amber)
apply the settings to a given AMBER force field
BALL::VIEW::AmberConfigurationDialog::AmberConfigurationDialog
AmberConfigurationDialog(QWidget *parent=NULL, const char *name="AmberConfiguration")
Constructor.
BALL::VIEW::AmberConfigurationDialog::setAmberFF
void setAmberFF(AmberFF &amber)
BALL::VIEW::AmberConfigurationDialog::MolecularStructure
friend class MolecularStructure
Definition amberConfigurationDialog.h:34
BALL::VIEW::AmberConfigurationDialog::reject
void reject()
BALL::VIEW::AmberConfigurationDialog::periodicBoundaryClicked
void periodicBoundaryClicked()
BALL::VIEW::AmberConfigurationDialog::accept
void accept()
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