pubchemDialog.h

// -*- Mode: C++; tab-width: 2; -*-
// vi: set ts=2:
//
// $Id:

#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

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

#ifdef BALL_COMPILER_MSVC
# include <BALL/VIEW/UIC/ui_pubchemDialog.h>
#else
# include <BALL/VIEW/UIC/pubchemDialogData.h>
#endif

#include <QtGui/qdialog.h>
#include <map>

class ns6__ItemType;
class ns6__DocSumType;

namespace BALL
{
  namespace VIEW
  {
      class BALL_VIEW_EXPORT PubChemDialog :
        public QDialog,
        public Ui_PubChemDialogData,
        public ModularWidget
      {
        Q_OBJECT

        public:

          BALL_EMBEDDABLE(PubChemDialog,ModularWidget)

          
          PubChemDialog(QWidget *parent = NULL, const char *name = "PubChemDialog");

          virtual ~PubChemDialog();

          void generateFromSMILES(const String& SMILES);

          virtual void initializeWidget(MainControl& main_control);

          virtual void checkMenu(MainControl& main_control);

        public slots:
          
          void show();

          void generateButtonClicked();

          void queryPubChem();

          void switchView(QTreeWidgetItem* item, int column);

          void clearEntries();

          void finished();

        protected:

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

          String        parseItemRecursive_(ns6__ItemType* item, int level=0);
          ParsedResult_ parseResultRecursive_(ns6__DocSumType* result);
          void insert_(ParsedResult_ d, QTreeWidgetItem* parent, bool plot);
          
          SDWidget sdwidget_;

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

          SmilesParser smiles_parser_;

          QAction* action1_, *action2_;
      };
  }
}
#endif

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