/usr/include/BALL/VIEW/DIALOGS/pubchemDialog.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_DIALOGSPUBCHEMDIALOG_H
#define BALL_VIEW_DIALOGSPUBCHEMDIALOG_H
#ifndef BALL_COMMON_GLOBAL_H
# include <BALL/COMMON/global.h>
#endif
#ifndef BALL_VIEW_KERNEL_MODULARWIDGET_H
# include <BALL/VIEW/KERNEL/modularWidget.h>
#endif
#ifndef BALL_STRUCTURE_SMILESPARSER_H
# include <BALL/STRUCTURE/smilesParser.h>
#endif
#include <QtGui/QDialog>
#include <map>
#include <boost/unordered_map.hpp>
class QNetworkAccessManager;
class QNetworkReply;
class QTreeWidgetItem;
namespace Ui
{
class PubChemDialogData;
}
namespace BALL
{
namespace VIEW
{
/** Dialog for querying PubChem and generating structures from a SMILES string
*/
class BALL_VIEW_EXPORT PubChemDialog
: public QDialog,
public ModularWidget
{
Q_OBJECT
public:
BALL_EMBEDDABLE ( PubChemDialog,ModularWidget )
/// Default Constructor.
PubChemDialog ( QWidget* parent = NULL, const char* name = "PubChemDialog" );
/// Destructor.
virtual ~PubChemDialog();
///
virtual void initializeWidget ( MainControl& main_control );
///
virtual void checkMenu ( MainControl& main_control );
///
void generateFromSMILES ( const String& SMILES );
public slots:
/// Show and raise dialog
void show();
/// Generate a structure from SMILES
void generateButtonClicked();
/// Query PubChem
void queryPubChem();
///
void switchView ( QTreeWidgetItem* item, int column );
///
void clearEntries();
///
void finished();
///
void updateDownloadProgress ( qint64 done, qint64 total );
///
void downloadFinished ( QNetworkReply* reply );
protected:
Ui::PubChemDialogData* ui_;
SmilesParser smiles_parser_;
struct ParsedResult_
{
QString name;
QString description;
String smiles;
};
enum InfoDisplayStyle{
LONG, SHORT
};
void insert_ ( ParsedResult_ d, QTreeWidgetItem* parent, bool plot );
bool handleDownloadError_ ( QNetworkReply* reply);
void buildInformationTemplates_();
QString buildHeaderTemplate_(InfoDisplayStyle style, const char* str) const;
std::map<QTreeWidgetItem*, System*> sd_systems_;
std::map<QTreeWidgetItem*, System*> original_systems_;
std::map<QTreeWidgetItem*, ParsedResult_> descriptions_;
QAction* action1_, *action2_;
HashMap<int, QTreeWidgetItem*> esummary_request_ids_;
boost::unordered_map<String, QString> information_templates_;
QPushButton* add_button_;
QNetworkAccessManager* network_manager_;
};
}
}
#endif
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