Class ESPSubTab

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

Class Variables

[hide private]

collections.OrderedDict FIT_ESP_METHOD = OrderedDict((("Atom centers", mm.MMJAG_ICFIT_...
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", mm.MMJ...
An OrderedDict of {constraints method: mmjag keyword value} used to populate 'Constraints' combo box.

Instance Variables

[hide private]

Inherited from BaseSubTab: row_id, spin, theory_level, ui

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", mm.MMJAG_ICFIT_ATOM), ("Atom + bond midp
oints", mm.MMJAG_ICFIT_BOND)))

CONSTRAINTS_METHOD

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

Type:: collections.OrderedDict

Value:

OrderedDict((("Total charge only", mm.MMJAG_INCDIP_CHG), ("Charge + di
pole moment", mm.MMJAG_INCDIP_DIP), ("Charge -> quadrupole moment", mm
.MMJAG_INCDIP_QUAD), ("Charge -> octapole moment", mm.MMJAG_INCDIP_OCT
)))