VIEW::PubChemDialog Class Reference

Dialog for querying PubChem and generating structures from a SMILES string. More...

#include <pubchemDialog.h>

Inheritance diagram for VIEW::PubChemDialog:

List of all members.

Public Slots
void	show ()
	Show and raise dialog.
void	generateButtonClicked ()
	Generate a structure from SMILES.
void	queryPubChem ()
	Query PubChem.
void	switchView (QTreeWidgetItem *item, int column)
void	clearEntries ()
void	finished ()
Public Member Functions
	PubChemDialog (QWidget *parent=NULL, const char *name="PubChemDialog") throw ()
	Default Constructor.
virtual	~PubChemDialog () throw ()
	Destructor.
void	generateFromSMILES (const String &SMILES) throw ()
	Generate a new molecule from a SMILES string.
virtual void	initializeWidget (MainControl &main_control)
	Initialize the widget.
virtual void	checkMenu (MainControl &main_control) throw ()
	Menu checking method.
Protected Member Functions
String	parseItemRecursive_ (ns6__ItemType *item, int level=0)
ParsedResult_	parseResultRecursive_ (ns6__DocSumType *result)
void	insert_ (ParsedResult_ d, QTreeWidgetItem *parent, bool plot)
Protected Attributes
SDWidget	sdwidget_
std::map< QTreeWidgetItem *, System * >	sd_systems_
std::map< QTreeWidgetItem *, System * >	original_systems_
std::map< QTreeWidgetItem *, ParsedResult_ >	descriptions_
SmilesParser	smiles_parser_
QAction *	action1_
QAction *	action2_

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Detailed Description

Dialog for querying PubChem and generating structures from a SMILES string.

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Member Function Documentation

virtual void VIEW::PubChemDialog::checkMenu (  MainControl &  main_control  )  throw () [virtual]

Menu checking method. This method is called MainControl::checkMenus before a popup menu is shown. It should be used to update the state of menu entries (e.g. disable or enable entries). Parameters: main_control  the MainControl object whose menus should be checked Reimplemented from VIEW::ModularWidget.

void VIEW::PubChemDialog::generateFromSMILES (  const String &  SMILES  )  throw ()

Generate a new molecule from a SMILES string. The molecule is displayed in the SDWidget widget but not yet inserted into BALLView.

virtual void VIEW::PubChemDialog::initializeWidget (  MainControl &  main_control  )  [virtual]

Initialize the widget. This method is called automatically immediately before the main application is started. It should add the widget's menu entries and connections (if required). This method will be called by MainControl::show. Parameters: main_control  the MainControl object to be initialized with this ModularWidget See also: finalizeWidget() Reimplemented from VIEW::ModularWidget.