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

Inheritance diagram for BALL::VIEW::PubChemDialog:

Classes
struct	ParsedResult_

Public Slots
void	show ()
	Show and raise dialog. More...

void	generateButtonClicked ()
	Generate a structure from SMILES. More...

void	queryPubChem ()
	Query PubChem. More...

void	switchView (QTreeWidgetItem *item, int column)

void	clearEntries ()

void	finished ()

void	updateDownloadProgress (qint64 done, qint64 total)

void	downloadFinished (QNetworkReply *reply)

Public Member Functions
	PubChemDialog (QWidget parent=NULL, const char name="PubChemDialog")
	Default Constructor. More...

virtual	~PubChemDialog ()
	Destructor. More...

virtual void	initializeWidget (MainControl &main_control)

virtual void	checkMenu (MainControl &main_control)

void	generateFromSMILES (const String &SMILES)

Public Member Functions inherited from BALL::VIEW::ModularWidget
void	setWorkingDirFromFilename_ (String filename)

virtual void	showHelp (const String &url)

	ModularWidget (const char *name="<ModularWidget>")

	ModularWidget (const ModularWidget &widget)

virtual	~ModularWidget ()

virtual void	destroy ()

virtual void	clear ()

QAction *	insertMenuEntry (Position parent_id, const String &name, const QObject receiver=0, const char slot=0, const String &description="", QKeySequence accel=QKeySequence())

void	setMenuHint (const String &hint)

void	setMenuHelp (const String &url)

virtual void	registerForHelpSystem (const QObject *object, const String &url)

virtual void	addToolBarEntries (QToolBar *main_tb)

void	setIcon (const String &filename, bool add_to_main_toolbar=true)

virtual void	initializePreferencesTab (Preferences &preferences)

virtual void	finalizePreferencesTab (Preferences &preferences)

virtual void	applyPreferences ()

virtual void	fetchPreferences (INIFile &inifile)

virtual void	writePreferences (INIFile &inifile)

bool	lockComposites ()

bool	unlockComposites ()
	Unlock the Composites. More...

MainControl *	getMainControl () const

virtual void	setStatusbarText (const String &text, bool important=false)

virtual void	setStatusbarText (const QString &text, bool important=false)
	More...

String	getWorkingDir ()
	Implemented for convenience. More...

void	setWorkingDir (const String &dir)
	Implemented for convenience. More...

FragmentDB &	getFragmentDB () const

virtual void	dump (std::ostream &s=std::cout, Size depth=0) const

virtual void	finalizeWidget (MainControl &main_control)

virtual bool	canHandle (const String &) const

virtual bool	openFile (const String &)

Public Member Functions inherited from BALL::Embeddable
	Embeddable (const String &identifier="<Embeddable>")

	Embeddable (const Embeddable &embeddable)

virtual	~Embeddable ()

void	setIdentifier (const String &identifier)

const String &	getIdentifier () const

void	unregisterThis ()

virtual void	registerThis ()

Public Member Functions inherited from BALL::VIEW::ConnectionObject
	ConnectionObject ()

virtual	~ConnectionObject ()

void	registerConnectionObject (ConnectionObject &object)

void	unregisterConnectionObject (ConnectionObject &object)

bool	isConnectionObjectRegistered (const ConnectionObject &object)

ConnectionObject *	getParent () const

ConnectionObject *	getRoot ()

virtual void	onNotify (Message *message)

virtual bool	isValid () const

Protected Types
enum	InfoDisplayStyle { LONG, SHORT }

Protected Member Functions
void	insert_ (ParsedResult_ d, QTreeWidgetItem *parent, bool plot)

bool	handleDownloadError_ (QNetworkReply *reply)

void	buildInformationTemplates_ ()

QString	buildHeaderTemplate_ (InfoDisplayStyle style, const char *str) const

Protected Attributes
Ui::PubChemDialogData *	ui_

SmilesParser	smiles_parser_

std::map< QTreeWidgetItem , System >	sd_systems_

std::map< QTreeWidgetItem , System >	original_systems_

std::map< QTreeWidgetItem *, ParsedResult_ >	descriptions_

QAction *	action1_

QAction *	action2_

HashMap< int, QTreeWidgetItem * >	esummary_request_ids_

boost::unordered_map< String, QString >	information_templates_

QPushButton *	add_button_

QNetworkAccessManager *	network_manager_

Protected Attributes inherited from BALL::VIEW::ModularWidget
QAction *	window_menu_entry_

bool	show_window_enty_

bool	default_visible_

QAction *	last_action_

QList< QAction * >	main_toolbar_actions_

Additional Inherited Members
Public Types inherited from BALL::Embeddable
typedef std::vector< Embeddable * >	EmbeddableVector

Static Public Member Functions inherited from BALL::VIEW::ModularWidget
static void	registerWidget (ModularWidget *mwidget) throw (Exception::NullPointer)

Static Protected Member Functions inherited from BALL::Embeddable
static void	registerInstance_ (const std::type_info &type, const Embeddable *instance)

static void	unregisterInstance_ (const Embeddable *instance)

static Size	countInstances_ (const std::type_info &type)

static Embeddable *	getInstance_ (const std::type_info &type, Position index)

static Embeddable *	getInstance_ (const std::type_info &type, const String &identifier)

Detailed Description

Dialog for querying PubChem and generating structures from a SMILES string

Definition at line 41 of file pubchemDialog.h.

Member Enumeration Documentation

enum BALL::VIEW::PubChemDialog::InfoDisplayStyle

protected

Enumerator
LONG
SHORT

Definition at line 103 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

QString BALL::VIEW::PubChemDialog::buildHeaderTemplate_	(	InfoDisplayStyle	style,
		const char *	str
	)		const

protected

void BALL::VIEW::PubChemDialog::buildInformationTemplates_ ( )

protected

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::downloadFinished ( QNetworkReply * reply )

slot

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 )

bool BALL::VIEW::PubChemDialog::handleDownloadError_ ( QNetworkReply * reply )

protected

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

See Also: finalizeWidget()

Reimplemented from BALL::VIEW::ModularWidget.

void BALL::VIEW::PubChemDialog::insert_	(	ParsedResult_	d,
		QTreeWidgetItem *	parent,
		bool	plot
	)

protected

void BALL::VIEW::PubChemDialog::queryPubChem ( )

slot

Query PubChem.

void BALL::VIEW::PubChemDialog::show ( )

slot

Show and raise dialog.

void BALL::VIEW::PubChemDialog::switchView	(	QTreeWidgetItem *	item,
		int	column
	)

slot

void BALL::VIEW::PubChemDialog::updateDownloadProgress	(	qint64	done,
		qint64	total
	)

slot

Member Data Documentation

QAction* BALL::VIEW::PubChemDialog::action1_

protected

Definition at line 116 of file pubchemDialog.h.

QAction * BALL::VIEW::PubChemDialog::action2_

protected

Definition at line 116 of file pubchemDialog.h.

QPushButton* BALL::VIEW::PubChemDialog::add_button_

protected

Definition at line 121 of file pubchemDialog.h.

std::map<QTreeWidgetItem*, ParsedResult_> BALL::VIEW::PubChemDialog::descriptions_

protected

Definition at line 114 of file pubchemDialog.h.

HashMap<int, QTreeWidgetItem*> BALL::VIEW::PubChemDialog::esummary_request_ids_

protected

Definition at line 118 of file pubchemDialog.h.

boost::unordered_map<String, QString> BALL::VIEW::PubChemDialog::information_templates_

protected

Definition at line 119 of file pubchemDialog.h.

QNetworkAccessManager* BALL::VIEW::PubChemDialog::network_manager_

protected

Definition at line 122 of file pubchemDialog.h.

std::map<QTreeWidgetItem*, System*> BALL::VIEW::PubChemDialog::original_systems_

protected

Definition at line 113 of file pubchemDialog.h.

std::map<QTreeWidgetItem*, System*> BALL::VIEW::PubChemDialog::sd_systems_

protected

Definition at line 112 of file pubchemDialog.h.

SmilesParser BALL::VIEW::PubChemDialog::smiles_parser_

protected

Definition at line 94 of file pubchemDialog.h.

Ui::PubChemDialogData* BALL::VIEW::PubChemDialog::ui_

protected

Definition at line 92 of file pubchemDialog.h.

Classes

Public Slots

Public Member Functions

Protected Types

Protected Member Functions

Protected Attributes

Additional Inherited Members

Detailed Description

Member Enumeration Documentation

Constructor & Destructor Documentation

Member Function Documentation

Member Data Documentation