Class ScfTabIGO

PyQt4.QtGui.QWidget --+        
                      |        
       base_tab.BaseTab --+    
                          |    
                     ScfTab --+
                              |
                             ScfTabIGO

This tab is used for 'Initial Guess Only' task.

Instance Methods

[hide private]

setup(self)
Common setup for all SCF tabs.

dict

getMmJagKeywords(self)
Return all keywords that should be put into the mmjag handle.

loadSettings(self, jag_input)
Restore tab settings from mmjag keywords.

_checkSettings(self, jag_input)

Inherited from ScfTab: getAccuracyAndInitialGuessKeywords, getConvergenceCriteriaKeywords, getConvergenceMethodsKeywords, getOrbitalsKeywords, loadAccuracyAndInitialGuessSettings, loadConvergenceCriteriaSettings, loadConvergenceMethodsSettings, loadOrbitalsSettings, thermalSmearingChanged

Inherited from base_tab.BaseTab: __init__, activate, deactivate, error, getDefaultKeywords, loadPerAtomSettings, reset, saveSettings, validate, warning

Inherited from base_tab.BaseTab (private): _populateUi

Class Variables

[hide private]

Inherited from ScfTab: ACCURACY_LEVELS, CONVERGENCE_SCHEME_OPTS, FULLY_ANALYTIC_ACCURACY, HELP_TOPIC, INCLUDE_USE_CONSISTENT_ORBITALS_CB, INITIAL_GUESS_OPTS, LOCALIZATION_METHODS, NAME, THERMAL_SMEARING_OPTS, UI_MODULES

Instance Variables

[hide private]

Inherited from base_tab.BaseTab: input_selector, task_name, ui

Method Details

[hide private]

setup(self)

Common setup for all SCF tabs.

Overrides: base_tab.BaseTab.setup: (inherited documentation)

getMmJagKeywords(self)

Return all keywords that should be put into the mmjag handle. This function should be defined in subclasses.

Returns: dict

All keywords that should be put into the mmjag handle

Raises:

schrodinger.application.jaguar.gui.utils.JaguarSettingError - If any settings are invalid.

Overrides: base_tab.BaseTab.getMmJagKeywords

(inherited documentation)

loadSettings(self, jag_input)

Restore tab settings from mmjag keywords. This function should be defined in subclasses.

Parameters:

jag_input - The Jaguar settings to base the tab settings on

Overrides: base_tab.BaseTab.loadSettings

(inherited documentation)