Package schrodinger :: Package application :: Package jaguar :: Package gui :: Package tabs :: Module irc_tab :: Class IrcTab

[frames] | no frames]

Class IrcTab

          PyQt4.QtGui.QWidget --+        
                                |        
      base_tab.ProvidesBasisMixin --+    
                                    |    
          PyQt4.QtGui.QWidget --+   |    
                                |   |    
 base_tab.ProvidesStructuresMixin --+    
                                    |    
          PyQt4.QtGui.QWidget --+   |    
                                |   |    
                 base_tab.BaseTab --+    
                                    |    
multi_structure_tab.MultiStructureTab --+
                                        |
                                       IrcTab

Nested Classes

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Inherited from base_tab.ProvidesStructuresMixin: __metaclass__

Instance Methods

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setup(self)
Perform tab specific initialization.

directionChanged(self)
Respond to the direction combo box selection changing

getDefaultKeywords(self)
Get the default keywords for this tab.

dict

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

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

_loadIntoSbIfPositive(self, spinbox, jag_input, keyword, setting_name)
Load the specified value into the given spinbox if the value is positive.

_loadIntoLeIfPositive(self, line_edit, jag_input, keyword, setting_name)
Load the specified value into the given line edit if the value is positive.

_loadIntoWidgetIfPositive(self, load_func, jag_input, keyword, setting_name)
Load the specified value into the given widget if the value is positive.

Inherited from multi_structure_tab.MultiStructureTab: chooseEntry, getBasis, getEids, getRepresentativeStructure, getStructureTitleForJobname, getStructures, projectUpdated, reset, setStructureSelectorsEnabled, setStructures, structureCbToggled, validate

Inherited from multi_structure_tab.MultiStructureTab (private): _compareAtomicNumbersAndAtomNames, _compareStrucs, _getAtomicNumbersAndAtomNames, _getRow, _getStruc, _updateMoleculeSubTabStruc, _updateStrucListings, _updateStructureWarningLabel

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

Inherited from base_tab.BaseTab (private): _populateUi

Class Variables

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str NAME = "IRC"
The name of the tab

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

tuple UI_MODULES = ui.irc_top_ui, ui.multi_structures_ui, ui.irc_bot...
A tuple of ui modules defining the tab widgets.

DIRECTIONS = OrderedDict((("Forward/Reverse", mm.MMJAG_IRCMODE...

Inherited from multi_structure_tab.MultiStructureTab: ALL_STRUCS, ATOMS, ATOM_LABELS, ENTRY_TYPE_NAMES, STRUC_DIFF_WARNING

Inherited from base_tab.ProvidesBasisMixin: basis_changed

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

[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)

getDefaultKeywords(self)

Get the default keywords for this tab. Note that defaults that exist in mmjag should not be explicitly set here.

Overrides: base_tab.BaseTab.getDefaultKeywords: (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)

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)

_loadIntoSbIfPositive(self, spinbox, jag_input, keyword, setting_name)

Load the specified value into the given spinbox if the value is positive. Issue a warning otherwise.

Parameters:

spinbox (PyQt4.QtGui.QSpinBox) - The spinbox to load the value into
jag_input (schrodinger.application.jaguar.input.JaguarInput) - The JaguarInput containing the value to load
keyword (str) - The keyword to load the value for
setting_name (str) - The name of the setting. This name will only be used when issueing warnings.

_loadIntoLeIfPositive(self, line_edit, jag_input, keyword, setting_name)

Load the specified value into the given line edit if the value is positive. Issue a warning otherwise.

Parameters:

line_edit (PyQt4.QtGui.QSpinBox) - The line edit to load the value into
jag_input (schrodinger.application.jaguar.input.JaguarInput) - The JaguarInput containing the value to load
keyword (str) - The keyword to load the value for
setting_name (str) - The name of the setting. This name will only be used when issueing warnings.

_loadIntoWidgetIfPositive(self, load_func, jag_input, keyword, setting_name)

Load the specified value into the given widget if the value is positive. Issue a warning otherwise.

Parameters:

load_func (function) - The function to use for loading the value into the widget
jag_input (schrodinger.application.jaguar.input.JaguarInput) - The JaguarInput containing the value to load
keyword (str) - The keyword to load the value for
setting_name (str) - The name of the setting. This name will only be used when issuing warnings.

Class Variable Details

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UI_MODULES

A tuple of ui modules defining the tab widgets. These ui modules should be listed top to bottom. Optionally, a tuple of (tab class, attribute name) may be listed instead of a ui file to include a subtab.

Type:: tuple

Value:

ui.irc_top_ui, ui.multi_structures_ui, ui.irc_bottom_ui, (MoleculeTabN
oInputSelector, "molecule_sub_tab")

DIRECTIONS

Value:

OrderedDict((("Forward/Reverse", mm.MMJAG_IRCMODE_BOTH), ("Forward", m
m.MMJAG_IRCMODE_FWD), ("Reverse", mm.MMJAG_IRCMODE_REV), ("Downhill", 
mm.MMJAG_IRCMODE_DOWN)))