/usr/include/BALL/VIEW/DIALOGS/charmmConfigurationDialog.h is in libballview1.4-dev 1.4.3~beta1-3.
This file is owned by root:root, with mode 0o644.
The actual contents of the file can be viewed below.
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// 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;
/** Dialog for changing the options of the CHARMM forcefield
\ingroup ViewDialogs
*/
class BALL_VIEW_EXPORT CharmmConfigurationDialog
: public QDialog,
public Ui_CharmmConfigurationDialogData,
public PreferencesEntry
{
friend class MolecularStructure;
Q_OBJECT
public:
/// Constructor
CharmmConfigurationDialog(QWidget* parent = NULL, const char* name = "CharmmConfiguration");
/// Destructor
virtual ~CharmmConfigurationDialog();
///
const String& getFilename() const;
public slots:
virtual void resetOptions();
///
void accept();
///
void reject();
/// apply the settings to a given CHARMM force field
void applyTo(CharmmFF& charmm);
///
void chooseSolventFile();
//_
void periodicBoundaryClicked();
protected slots:
virtual void browseParameterFiles();
protected:
void setCharmmFF(CharmmFF& charmm);
private:
String getValue_(const QCheckBox* box) const;
float getValue_(const QLineEdit* edit) const
throw(Exception::InvalidFormat);
CharmmFF* charmm_;
};
}
}
#endif
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