Class SpinTreatmentWidget

PyQt4.QtGui.QWidget --+
                      |
                     SpinTreatmentWidget

This widget allows user to specify SCF spin treatment options.

Instance Methods

__init__(self, parent)
Initialize widget.

dict

getMmJagKeywords(self)
This function returns dictionary of mmjag keywords for this widget.

loadSettings(self, jag_input)
Restore spin treatment settings from Jaguar handle.

getSpinTreatment(self)
Return the current spin treatment setting

bool

unrestrictedAvailable(self)
Does the current setting allow for an unrestricted spin treatment?

Instance Variables

PyQt4.QtCore.pyqtSignal spinTreatmentChanged = QtCore.pyqtSignal()
A signal indicating that the type of spin treatment has changed.

Method Details

Initialize widget.

Parameters:

This function returns dictionary of mmjag keywords for this widget.

Restore spin treatment settings from Jaguar handle.

Parameters:

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

Return the current spin treatment setting

Does the current setting allow for an unrestricted spin treatment?

Returns: bool: True if the spin treatment is currently set to unrestricted or automatic. False otherwise.