Class BaseSubTab

PyQt4.QtCore.QObject --+
                       |
                      BaseSubTab

Base class for all properties tab subtabs. Subtabs that contain options should be subclassed. Subclasses should redefine getMmJagKeywords and loadSettings functions. Function theoryUpdated need to be redefined only for sub tabs that depend on theory options.

Instance Methods

[hide private]

__init__(self, ui, row_id=None)
Sub tab initializer.

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.

theoryUpdated(self, theory_level, dft_functional, spin_treatment, basis)
Respond to the user changing the level of theory or the basis set.

Instance Variables

[hide private]

int row_id
sub tab id a.k.a.

bool spin
current state of 'spin unrestricted' toggle in theory tab

str theory_level
current theory level

QWidget ui
And object that provides access to all subtab widgets

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.

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 (bool) - True if property row is 'checked'

Returns: dict

mmjag keywords dictionary

loadSettings(self, keywords)

This function restores this sub tab from the keywords dictionary.

Parameters:

keywords (dict) - mmjag keywrods dictionary

theoryUpdated(self, theory_level, dft_functional, spin_treatment, basis)

Respond to the user changing the level of theory or the basis set.

Parameters:

theory (str) - The current level of theory. Must be one of "DFT", "HF" or "LMP2"
dft_functional (str or NoneType) - If c{theory} is "DFT", the currently selected functional level. If theory is not "DFT" or if the user has not specified a functional level, should be None.
spin_unrestricted (bool) - Whether the spin-unrestricted check box is checked in the theory tab. If theory is "LMP2", should be None.
basis (str) - The currently selected basis set without the polarization or diffuse levels (i.e. "6-31G" rather than "6-31G**+")

Instance Variable Details

[hide private]

row_id

sub tab id a.k.a. property row number it is associated with

Type:: int