Package schrodinger :: Package application :: Package jaguar :: Package gui :: Package tabs :: Module scan_tab :: Class ScanTab
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Class ScanTab

PyQt4.QtGui.QWidget --+        
                      |        
       base_tab.BaseTab --+    
                          |    
  coordinates.CoordinateTab --+
                              |
                             ScanTab

Instance Methods [hide private]
 
setup(self)
Perform tab specific initialization.
 
_resetDefaults(self)
This function resets panel to default state.
dict
getMmJagKeywords(self)
This function returns dictionary of mmjag keywords for this tab.
 
loadSettings(self, jag_input)
Restore scan coordinates settings from Jaguar handle.
 
saveSettings(self, jag_input, eid=None)
Save scan coordinate settings in jaguar handle.
 
updateMapperWidgets(self, selected, deselected)
This slot is called when selection in coordinates table is changed.
 
enableSelectedCoordinates(self, enable)
This function is called to enable/disable widgets in 'selected coordinate' box.
 
deleteCurrentRow(self)
This function is called to delete row which is currently selected from the coordinates table.
 
deleteAllRows(self)
This function is called to delete all rows from the coordinates table.
 
addCoordinate(self, st, atoms, coordinate_type, start_value=None, final_value=None, increment=None)
Add new coordinate row.
 
updateTotalStructures(self)
Calculate total number of structures to be calculated and update the label.
 
pickCompleted(self, atoms)
This slot is called when required number of atoms for the current coordinate type has been picked.

Inherited from coordinates.CoordinateTab: setAcceptableContraintEids, stopPicking

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

Inherited from base_tab.BaseTab (private): _populateUi

Class Variables [hide private]
str NAME = "Scan"
The name of the tab
str HELP_TOPIC = "JAGUAR_TOPIC_SCAN_FOLDER"
The help topic for the tab
tuple UI_MODULES = ui.scan_tab_ui,
A tuple of ui modules defining the tab widgets.
  COLUMN = ScanCoordinateColumns()
  MAX_ROW_COUNT = 5

Inherited from coordinates.CoordinateTab: allCoordinatesDeleted, coordinateAdded, coordinateDeleted, coordinateDeselected, coordinateSelected, refreshMarkers

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)

_resetDefaults(self)

 

This function resets panel to default state. Note that this function is not called reset() since it does not need to be called from the panel class.

Overrides: coordinates.CoordinateTab._resetDefaults

getMmJagKeywords(self)

 

This function returns dictionary of mmjag keywords for this tab. Since this tab does not set any keywords it returns an empty dictionary.

Returns: dict
mmjag keywords dictionary
Raises:
Overrides: base_tab.BaseTab.getMmJagKeywords

loadSettings(self, jag_input)

 

Restore scan coordinates settings from Jaguar handle.

Parameters:
Overrides: base_tab.BaseTab.loadSettings

saveSettings(self, jag_input, eid=None)

 

Save scan coordinate settings in jaguar handle.

See parent class for argumnet documentation

Parameters:
  • jag_input - The Jaguar handle to store the tab settings in
  • eid - The entry id of the structure in jag_input
Overrides: base_tab.BaseTab.saveSettings

updateMapperWidgets(self, selected, deselected)

 

This slot is called when selection in coordinates table is changed.

Parameters:
  • selected (QtGui.QItemSelection) - selected indices
  • deselected (QtGui.QItemSelection) - deselected indices

enableSelectedCoordinates(self, enable)

 

This function is called to enable/disable widgets in 'selected coordinate' box. When enable argument is False we also clear text in all widgets.

Parameters:
  • enable (bool) - True/False to enable/disable widgets

addCoordinate(self, st, atoms, coordinate_type, start_value=None, final_value=None, increment=None)

 

Add new coordinate row.

Parameters:
  • st (schrodinger.structure.Structure) - structure
  • atoms (list) - atom indices
  • coordinate_type (int) - coordinate type
  • start_value (float) - starting coordinate value
  • final_value (float) - final coordinate value
  • increment (float) - increment value

pickCompleted(self, atoms)

 

This slot is called when required number of atoms for the current coordinate type has been picked.

Parameters:
  • atoms (list) - list of atom indices