Class ESPSubTab

       object --+                
                |                
sip.simplewrapper --+            
                    |            
          sip.wrapper --+        
                        |        
     PyQt4.QtCore.QObject --+    
                            |    
                   BaseSubTab --+
                                |
                               ESPSubTab

This sub tab class is used for ESP property.

Instance Methods

[hide private]

setup(self)
This function is called to customize sub tab behavior.

dict

getMmJagKeywords(self, checked)
This function returns dictionary of mmjag keywords for this sub tab.

loadSettings(self, keywords)
This function restores this sub tab from the keywords dictionary.

Inherited from BaseSubTab: __init__, theoryUpdated

Inherited from PyQt4.QtCore.QObject: __getattr__, blockSignals, childEvent, children, connect, connectNotify, customEvent, deleteLater, destroyed, disconnect, disconnectNotify, dumpObjectInfo, dumpObjectTree, dynamicPropertyNames, emit, event, eventFilter, findChild, findChildren, inherits, installEventFilter, isWidgetType, killTimer, metaObject, moveToThread, objectName, parent, property, pyqtConfigure, receivers, removeEventFilter, sender, senderSignalIndex, setObjectName, setParent, setProperty, signalsBlocked, startTimer, thread, timerEvent, tr, trUtf8

Inherited from sip.simplewrapper: __new__

Inherited from object: __delattr__, __format__, __getattribute__, __hash__, __reduce__, __reduce_ex__, __repr__, __setattr__, __sizeof__, __str__, __subclasshook__

Class Variables

[hide private]

collections.OrderedDict FIT_ESP_METHOD = OrderedDict([('Atom centers', 1), ('Atom + bo...
An OrderedDict of {fit ESP method: mmjag keyword value} used to populate 'Fot ESP to' combo box.

collections.OrderedDict CONSTRAINTS_METHOD = OrderedDict([('Total charge only', 0), ('...
An OrderedDict of {constraints method: mmjag keyword value} used to populate 'Constraints' combo box.

Inherited from PyQt4.QtCore.QObject: staticMetaObject

Instance Variables

[hide private]

Inherited from BaseSubTab: row_id, spin, theory_level, ui

Properties

[hide private]

Inherited from object: __class__

Method Details

[hide private]

setup(self)

This function is called to customize sub tab behavior. It should be reimplemented for any subclass that has custom features.

Overrides: BaseSubTab.setup: (inherited documentation)

getMmJagKeywords(self, checked)

This function returns dictionary of mmjag keywords for this sub tab. It is only used for tabs that don't have options.

Parameters:

checked - True if property row is 'checked'

Returns: dict

mmjag keywords dictionary

Overrides: BaseSubTab.getMmJagKeywords

(inherited documentation)

loadSettings(self, keywords)

This function restores this sub tab from the keywords dictionary.

Parameters:

keywords - mmjag keywrods dictionary

Overrides: BaseSubTab.loadSettings

(inherited documentation)

Class Variable Details

[hide private]

FIT_ESP_METHOD

An OrderedDict of {fit ESP method: mmjag keyword value} used to populate 'Fot ESP to' combo box.

Type:: collections.OrderedDict

Value:

OrderedDict([('Atom centers', 1), ('Atom + bond midpoints', 2)])

CONSTRAINTS_METHOD

An OrderedDict of {constraints method: mmjag keyword value} used to populate 'Constraints' combo box.

Type:: collections.OrderedDict

Value:

OrderedDict([('Total charge only', 0), ('Charge + dipole moment', 1), 
('Charge -> quadrupole moment', 11), ('Charge -> octapole moment', 111
)])