BALL::VIEW::PubChemDialog Class Reference
Dialog for querying PubChem and generating structures from a SMILES string. More...#include <pubchemDialog.h>
Inheritance diagram for BALL::VIEW::PubChemDialog:
[legend]
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") | |
| Default Constructor. |
|
| virtual | ~PubChemDialog () |
| Destructor. |
|
| void | generateFromSMILES (const String &SMILES) |
| Generate a new molecule from a
SMILES string. |
|
| virtual void | initializeWidget (MainControl &main_control) |
| Initialize the widget. |
|
| virtual void | checkMenu (MainControl &main_control) |
| 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_ |
Detailed Description
Dialog for querying PubChem and generating structures from a SMILES string.Member Function Documentation
| 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::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
- See also:
- finalizeWidget()
Reimplemented from BALL::VIEW::ModularWidget.
