pubchemDialog.h

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// -*- Mode: C++; tab-width: 2; -*-
// 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 <QtWidgets/QDialog>
 
#include <map>
#include <boost/unordered_map.hpp>
 
class QNetworkAccessManager;
class QNetworkReply;
 
class QTreeWidgetItem;
 
namespace Ui
{
  class PubChemDialogData;
}
 
namespace BALL
{
  namespace VIEW
  {
    class BALL_VIEW_EXPORT PubChemDialog
      : public QDialog,
        public ModularWidget
    {
      Q_OBJECT
 
      public:
 
        BALL_EMBEDDABLE ( PubChemDialog,ModularWidget )
 
        
        PubChemDialog ( QWidget* parent = NULL, const char* name = "PubChemDialog" );

        virtual ~PubChemDialog();

        virtual void initializeWidget ( MainControl& main_control );

        virtual void checkMenu ( MainControl& main_control );

        void generateFromSMILES ( const String& SMILES );
      public Q_SLOTS:

        void show();

        void generateButtonClicked();

        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