Class SolventTab

PyQt4.QtGui.QWidget --+    
                      |    
       base_tab.BaseTab --+
                          |
                         SolventTab

The Solvent tab used in the pKa panel

Instance Methods

[hide private]

setup(self)
Perform tab specific initialization.

solventTypeChanged(self)
Called when a new item is selected from the solvent menu.

calculateProbeRadius(self)
Calculate the solvent probe radius from the density and molecular weight.

dict

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

dict

_getSolventTypeKeyword(self)
Get the solvent type keyword

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

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]

str NAME = "Solvent"
The name of the tab

str HELP_TOPIC = "JAGUAR_TOPIC_SOLVATION_FOLDER"
The help topic for the tab

tuple UI_MODULES = ui.solvent_tab_ui,
A tuple of ui modules defining the tab widgets.

SOLVENTS = [SOLVENTS_BY_NAME ["Water"], SOLVENTS_BY_NAME ["DMS...

SHOW_DIELECTRIC = False
hash(x)

Instance Variables

[hide private]

Inherited from base_tab.BaseTab: input_selector, task_name, ui

Method Details

[hide private]

setup(self)

Perform tab specific initialization. This function should be defined in subclasses if initialization is needed.

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)

_getSolventTypeKeyword(self)

Get the solvent type keyword

Returns: dict: A dictionary of keywords

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)

Class Variable Details

[hide private]

SOLVENTS

Value:

[SOLVENTS_BY_NAME ["Water"], SOLVENTS_BY_NAME ["DMSO"]]