schrodinger.application.matsci.mswidgets.EmbeddedSolventWidget

Class EmbeddedSolventWidget

PyQt4.QtGui.QWidget --+ | jaguar.gui.tabs.base_tab.BaseTab --+ | jaguar.gui.tabs.solvation_tab.SolventTab --+ | jaguar.gui.tabs.solvation_tab.SolvationTab --+ | EmbeddedSolventWidget

A master widget that contains the widgets from the Jaguar Solvation tab and is convenient to use outside the Jaguar gui environment.

init(self, parent=None, solvents=None, layout=None, dielectric=True, reference=False, keywords=None, models=None)
(Constructor)

Create a EmbeddedSolventWidget object

Parameters:

parent (QWidget) - The parent widget for this widget
solvents (list) - List of allowed solvents, each item should be a name Solvent tuple. schrodinger.jaguar.gui.tabs.solvent_tab.ALL_SOLVENTS for example.
layout (QBoxLayout) - The layout to place this widget into
dielectric (bool) - If True, show the dielectric widgets, if False, do not
reference (bool) - If True, show the reference energy widgets, if False, do not
keywords (dict) - The Jaguar solvent-related key/value pairs that define the initial widget values
models (dict) - The allowed solvent models. keys are strings displayed to the user, values are Jaguar keywords. See parent class SOLVENT_MODELS constant for example. Use an OrderedDict to control the order of the solvent models in the model combobox

Overrides: jaguar.gui.tabs.base_tab.BaseTab.__init__

_getGasPhaseKeywords(self)

Overrides the parent method to return an empty dictionary if the reference energy widgets are not shown

Returns: dict: A dictionary of keywords
Overrides: jaguar.gui.tabs.solvation_tab.SolvationTab._getGasPhaseKeywords

loadSettingsFromKeywords(self, keywords)

Set the widget states based on the given keyword dictionary

Parameters:

keywords (dict) - Keys are jaguar keywords, values are keyword values

reset(self)

Reset the widgets to their initial values

Overrides: jaguar.gui.tabs.base_tab.BaseTab.reset

Class EmbeddedSolventWidget

__init__(self, parent=None, solvents=None, layout=None, dielectric=True, reference=False, keywords=None, models=None) (Constructor)

_getGasPhaseKeywords(self)

loadSettingsFromKeywords(self, keywords)

reset(self)

init(self, parent=None, solvents=None, layout=None, dielectric=True, reference=False, keywords=None, models=None)
(Constructor)