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charmmConfigurationDialog.h
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// -*- Mode: C++; tab-width: 2; -*-
// vi: set ts=2:
//
#ifndef BALL_VIEW_DIALOGS_CHARMMCONFIGURATIONDIALOG_H
#define BALL_VIEW_DIALOGS_CHARMMCONFIGURATIONDIALOG_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_charmmConfigurationDialog.h>
namespace BALL
{
class CharmmFF;
namespace VIEW
{
class MolecularStructure;
class BALL_VIEW_EXPORT CharmmConfigurationDialog
: public QDialog,
public Ui_CharmmConfigurationDialogData,
public PreferencesEntry
{
friend class MolecularStructure;
Q_OBJECT
public:
CharmmConfigurationDialog(QWidget* parent = NULL, const char* name = "CharmmConfiguration");
virtual ~CharmmConfigurationDialog();
const String& getFilename() const;
public Q_SLOTS:
virtual void resetOptions();
void accept();
void reject();
void applyTo(CharmmFF& charmm);
void chooseSolventFile();
//_
void periodicBoundaryClicked();
protected Q_SLOTS:
virtual void browseParameterFiles();
protected:
void setCharmmFF(CharmmFF& charmm);
private:
String getValue_(const QCheckBox* box) const;
float getValue_(const QLineEdit* edit) const;
CharmmFF* charmm_;
};
}
}
#endif
global.h
BALL_VIEW_EXPORT
#define BALL_VIEW_EXPORT
Definition COMMON/global.h:52
BALL::CharmmFF
Definition charmm.h:31
BALL::String
Definition string.h:57
BALL::VIEW::CharmmConfigurationDialog::~CharmmConfigurationDialog
virtual ~CharmmConfigurationDialog()
Destructor.
BALL::VIEW::CharmmConfigurationDialog::accept
void accept()
BALL::VIEW::CharmmConfigurationDialog::browseParameterFiles
virtual void browseParameterFiles()
BALL::VIEW::CharmmConfigurationDialog::chooseSolventFile
void chooseSolventFile()
BALL::VIEW::CharmmConfigurationDialog::reject
void reject()
BALL::VIEW::CharmmConfigurationDialog::periodicBoundaryClicked
void periodicBoundaryClicked()
BALL::VIEW::CharmmConfigurationDialog::resetOptions
virtual void resetOptions()
BALL::VIEW::CharmmConfigurationDialog::getFilename
const String & getFilename() const
BALL::VIEW::CharmmConfigurationDialog::MolecularStructure
friend class MolecularStructure
Definition charmmConfigurationDialog.h:34
BALL::VIEW::CharmmConfigurationDialog::CharmmConfigurationDialog
CharmmConfigurationDialog(QWidget *parent=NULL, const char *name="CharmmConfiguration")
Constructor.
BALL::VIEW::CharmmConfigurationDialog::applyTo
void applyTo(CharmmFF &charmm)
apply the settings to a given CHARMM force field
BALL::VIEW::CharmmConfigurationDialog::setCharmmFF
void setCharmmFF(CharmmFF &charmm)
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