schrodinger.application.jaguar.gui.theory_tab_widgets.SpinExcitedStateController

Class SpinExcitedStateController

object --+ | SpinExcitedStateController

Controller to facilitate interaction between widget that defines spin treatment options and excited state widget. This controller is needed because excited states type combo box needs to be enabled or disabled depending on the state of both spin treatment and excited state check box. This controller is also used to set and get mmjag keywords.

Instance Methods

[hide private]

__init__(self, spin_widget, es_widget)
Initialize controller, which takes spin treatment widget and excited state widgets as arguments and establishes connection between the two.

checkExcitedStatesType(self)
This function checks whether excited states type widgets should be disabled.

dict

getMmJagKeywords(self)
This function returns dictionary of mmjag keywords for both spin restricted and excited state widgets.

loadSettings(self, jag_input)
Convenience function that allows to specify both spin treatment and excited state options from a given jaguar handle.

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

Properties

[hide private]

Inherited from object: __class__

init(self, spin_widget, es_widget)
(Constructor)

Initialize controller, which takes spin treatment widget and excited state widgets as arguments and establishes connection between the two.

Parameters:

spin_widget (SpinRestrictedWidget) - widget that defines sping treatment options
es_widget - widget that defines excited state options

Overrides: object.__init__

getMmJagKeywords(self)

This function returns dictionary of mmjag keywords for both spin restricted and excited state widgets.

Returns: dict: mmjag keywords dictionary

loadSettings(self, jag_input)

Convenience function that allows to specify both spin treatment and excited state options from a given jaguar handle.

Parameters:

jag_input (schrodinger.application.jaguar.input.JaguarInput) - The Jaguar settings to base the widget settings on

Class SpinExcitedStateController

__init__(self, spin_widget, es_widget) (Constructor)

getMmJagKeywords(self)

loadSettings(self, jag_input)

init(self, spin_widget, es_widget)
(Constructor)