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_VIEW_WIDGETS_SDWIDGET_H
# include <BALL/VIEW/WIDGETS/SDWidget.h>
#endif

#ifndef BALL_STRUCTURE_SMILESPARSER_H
# include <BALL/STRUCTURE/smilesParser.h>
#endif

#ifndef BALL_FORMAT_PUBCHEMDOWNLOADER_H
# include <BALL/FORMAT/pubchemDownloader.h>
#endif

#include <BALL/VIEW/UIC/ui_pubchemDialog.h>

#include <QtGui/QDialog>

#include <map>

class QProgressBar;

namespace BALL
{
  namespace VIEW
  {
    class PubChemDialog;

    namespace PubChemDialogPrivate
    {
      class DownloadHelper
        : public QThread
      {
        Q_OBJECT

        public:
          DownloadHelper(PubChemDialog* parent);

          void run();

          String query;
          String filename;

        protected:
          PubChemDialog *parent_;
      };
    }

    class BALL_VIEW_EXPORT PubChemDialog 
      : public QDialog,
        public Ui_PubChemDialogData,
        public ModularWidget
    {
      Q_OBJECT

      friend class PubChemDialogPrivate::DownloadHelper;

      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 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(const QString& filename);
        
      protected:

        SmilesParser      smiles_parser_;

        struct ParsedResult_
        {
          String name;
          String description;
          String smiles;
        };

        void parseItemRecursive_(const QDomNode& current_node, Position level, ParsedResult_& result);
         
        void insert_(ParsedResult_ d, QTreeWidgetItem* parent, bool plot);
        
        PubChemDownloader* pcd_;

        std::map<QTreeWidgetItem*, System*>         sd_systems_;
        std::map<QTreeWidgetItem*, System*>         original_systems_;
        std::map<QTreeWidgetItem*, ParsedResult_>   descriptions_;

        QAction* action1_, *action2_;

        int current_request_id_;

        HashMap<int, QTreeWidgetItem*> esummary_request_ids_;
        QProgressBar *progress_;

        QPushButton* add_button_;

        PubChemDialogPrivate::DownloadHelper downloader_;
    };

  }
}
#endif

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