BALL::VIEW::PubChemDialog Class Reference

#include <BALL/VIEW/DIALOGS/pubchemDialog.h>

Inheritance diagram for BALL::VIEW::PubChemDialog:

Classes
struct	ParsedResult_
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 ()
void	esearchFinished (int id, bool error)
	An entrez esearch has finished.
void	esummaryFinished (int id, bool error)
	A pubchem download has finished.
Public Member Functions
	PubChemDialog (QWidget parent=NULL, const char name="PubChemDialog")
	Default Constructor.
virtual	~PubChemDialog ()
	Destructor.
void	generateFromSMILES (const String &SMILES)
virtual void	initializeWidget (MainControl &main_control)
virtual void	checkMenu (MainControl &main_control)
void	callESummary (QString const &entry_id, QTreeWidgetItem *current_item=NULL)
	Calls the esummary web service from entrez to download the molecule with given pcsubstance id.
Protected Member Functions
void	parseItemRecursive_ (const QDomNode &current_node, Position level, ParsedResult_ &result)
void	insert_ (ParsedResult_ d, QTreeWidgetItem *parent, bool plot)
bool	parseESummaryXml_ (const QByteArray &data, ParsedResult_ &result)
Protected Attributes
std::map< QTreeWidgetItem , System >	sd_systems_
std::map< QTreeWidgetItem , System >	original_systems_
std::map< QTreeWidgetItem *, ParsedResult_ >	descriptions_
SmilesParser	smiles_parser_
QAction *	action1_
QAction *	action2_
String	esearch_base_url_
String	esummary_base_url_
int	current_request_id_
HashMap< int, QTreeWidgetItem * >	esummary_request_ids_
QHttp	esearch_connector_
QHttp	esummary_connector_
QProgressBar *	progress_
QPushButton *	add_button_

Detailed Description

Dialog for querying PubChem and generating structures from a SMILES string

Definition at line 40 of file pubchemDialog.h.

Constructor & Destructor Documentation

BALL::VIEW::PubChemDialog::PubChemDialog	(	QWidget *	parent = `NULL`,
		const char *	name = `"PubChemDialog"`
	)

Default Constructor.

virtual BALL::VIEW::PubChemDialog::~PubChemDialog ( ) [virtual]

Destructor.

Member Function Documentation

void BALL::VIEW::PubChemDialog::callESummary	(	QString const &	entry_id,
		QTreeWidgetItem *	current_item = `NULL`
	)

Calls the esummary web service from entrez to download the molecule with given pcsubstance id.

virtual void BALL::VIEW::PubChemDialog::checkMenu ( MainControl & main_control ) [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 BALL::VIEW::ModularWidget.

void BALL::VIEW::PubChemDialog::clearEntries ( ) [slot]

void BALL::VIEW::PubChemDialog::esearchFinished	(	int	id,
		bool	error
	)			`[slot]`

An entrez esearch has finished.

void BALL::VIEW::PubChemDialog::esummaryFinished	(	int	id,
		bool	error
	)			`[slot]`

A pubchem download has finished.

void BALL::VIEW::PubChemDialog::finished ( ) [slot]

void BALL::VIEW::PubChemDialog::generateButtonClicked ( ) [slot]

Generate a structure from SMILES.

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

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

virtual void BALL::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