Package schrodinger :: Package application :: Package jaguar :: Package gui :: Package tabs :: Module input_tab :: Class InputTabHB

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Class InputTabHB

         PyQt4.QtGui.QWidget --+        
                               |        
base_tab.ProvidesStructuresMixin --+    
                                   |    
         PyQt4.QtGui.QWidget --+   |    
                               |   |    
                base_tab.BaseTab --+    
                                   |    
                        InputTabBase --+
                                       |
                                      InputTabHB

An input tab that is used with Hydrogen Bond task.

Nested Classes

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schrodinger.application.jaguar.gui.input_tab_widgets. SelectedEntriesModel MODEL_CLASS
The class to use for the table model

schrodinger.application.jaguar.gui.input_tab_widgets. SelectedEntriesView VIEW_CLASS
The class to use for the table view

Inherited from InputTabBase: PROXY_CLASS, __metaclass__

Instance Methods

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dict

getMmJagKeywords(self)
There are no jaguar handle keywords that this tab sets, but we need this function to override the one in the base class.

dict

_getKeywordsForStruc(self, cur_struc)
Get mmjag keywords for the specified structure

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

bool

isFastMode(self)
This function return True if 'Fast Mode' check box is checked.

string or None

getOptimizationCmd(self)
This function returns command argument corresponding to the checked optimization option.

reset(self)
This function resets optimization and 'fast mode' settings to default state.

Inherited from InputTabBase: getNumStructures, getStructureTitleForJobname, getStructures, projectUpdated, setup, useFromComboChanged, usingSelected, validate, workspaceChanged

Inherited from InputTabBase (private): _checkSingleStructure, _loadChargeAndSpinMult, _loadSymmetry

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

Inherited from base_tab.BaseTab (private): _populateUi

Class Variables

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

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

tuple SYMM_ITEMS = None
The data to display in the symmetry combo box

Inherited from InputTabBase: NAME, strucSourceChanged

Inherited from base_tab.ProvidesStructuresMixin: MULTIPLE_STRUC_JOB_TITLE

Instance Variables

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Inherited from base_tab.BaseTab: input_selector, task_name, ui

Method Details

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getMmJagKeywords(self)

There are no jaguar handle keywords that this tab sets, but we need this function to override the one in the base class.

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

_getKeywordsForStruc(self, cur_struc)

Get mmjag keywords for the specified structure

Parameters:

cur_struc - Data about the current structure

Returns: dict

A dictionary of Jaguar keywords

Overrides: InputTabBase._getKeywordsForStruc

(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)

isFastMode(self)

This function return True if 'Fast Mode' check box is checked.

Returns: bool: True if 'Fast Mode' check box is toggled.

getOptimizationCmd(self)

This function returns command argument corresponding to the checked optimization option. If 'Optimize all structure' option is selected this function returns None.

Returns: string or None: optimization command argument

reset(self)

This function resets optimization and 'fast mode' settings to default state. This function needs to be called every time when input file is loaded.

Overrides: base_tab.BaseTab.reset