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2015-3 Schrodinger Python API
Package schrodinger :: Package application :: Package matsci :: Module builderwidgets :: Class ItemRowWithTemplates
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Class ItemRowWithTemplates

PyQt4.QtGui.QFrame --+        
                     |        
 ui.qt.swidgets.SFrame --+    
                         |    
                   ItemRow --+
                             |
                            ItemRowWithTemplates

An ItemRow that holds the data for one unit and includes a combo for choosing Template structures

Instance Methods [hide private]
 
__init__(self, master, row_layout, item_type, stretch=True, default_template='H', unset_tip=None, builtin_dir=None, sketcher=True, sketcher_class=None, name_field=True)
Create a EndGroupRow instance
 
reset(self)
Reset all widgets
 
useCustomTemplate(self)
Set the row to use the Custom template option
 
sketchStructure(self)
Open up a sketcher to allow the user to sketch a new structure
 
reloadTemplateList(self)
Reload the template combo with current information
int
getNumMarkers(self)
Get the number of Rx atoms in this row
(int, float)
getAtomsAndWeight(self)
Count the number of atoms and atomic weight for this row
 
setStructure(self, *args)
Set the structure for this row.
 
getStructure(self)
Get the structure either from the sketcher or from a template file
 
updateTemplates(self, templates, select)
Load a new list of templates into the template list
str
getName(self, no_h=False)
Get the name the user has specified for this item
str
getASLName(self)
Modify the user's name to make it acceptable for ASL syntax, which reserves some characters.
bool
hasStructure(self)
Is a structure set for this row?
 
createSketcher(self)
Create a new Sketcher for this row

Inherited from ItemRow: delete, fillStatusLabel, findAttachmentMarkers, getMolecularFormula, modifyMinimizer, postTreatMinimizedStructure, prepareStructureForMinimization, removeFFProperties, restoreCursor, setWaitCursor

Class Variables [hide private]
  dataChanged = QtCore.pyqtSignal()
Method Details [hide private]

__init__(self, master, row_layout, item_type, stretch=True, default_template='H', unset_tip=None, builtin_dir=None, sketcher=True, sketcher_class=None, name_field=True)
(Constructor)

 

Create a EndGroupRow instance

Parameters:
  • master (schrodinger.ui.qt.appframework.AppFramework) - The parent panel for this row. Must have the following methods: deleteRow, setWaitCursor, restoreCursor
  • row_layout (QLayout) - The layout this EndGroupRow should add itself to
  • item_type (str) - A string describing the type of item this row is, such as "monomer" - this will be displayed to the user in labels and tooltips. Use the lowercase form of the word - it will be capitalized when necessary.
  • stretch (bool) - Should a layout stretch be added after all widgets have been laid out
  • default_template (str) - The default template to load for this row when created.
  • unset_tip (str) - The tooltip to use when no structure has been set
  • builtin_dir (str) - The path to the directory where built-in templates are stored. By default, it will be the script's '_dir' directory + the template name
  • sketcher (bool) - Whether to use a button that opens a sketcher window
  • sketcher_class (SketcherBox) - The 2D sketcher class to use in the Sketcher dialog window
  • name_field (bool) - True if a name field should be added, False if not
Overrides: ui.qt.swidgets.SFrame.__init__

reset(self)

 

Reset all widgets

Overrides: ItemRow.reset

getNumMarkers(self)

 

Get the number of Rx atoms in this row

Returns: int
The number of Rx atoms in this row

getAtomsAndWeight(self)

 

Count the number of atoms and atomic weight for this row

Returns: (int, float)
The number of atoms and total molecular weight for the structure of this row - does not include marker atoms

setStructure(self, *args)

 

Set the structure for this row.

When called as a PyQt slot, the first argument for this method will be the current text of the template_combo

Overrides: ItemRow.setStructure

getStructure(self)

 

Get the structure either from the sketcher or from a template file

Overrides: ItemRow.getStructure

updateTemplates(self, templates, select)

 

Load a new list of templates into the template list

Parameters:
  • templates (list) - list of template names
  • select (str) - Attempt to select this template in the combo after loading new names

getName(self, no_h=False)

 

Get the name the user has specified for this item

Parameters:
  • no_h (bool) - If True, return an empty string if the name is "H"
Returns: str
The name for this row

getASLName(self)

 

Modify the user's name to make it acceptable for ASL syntax, which reserves some characters.

Returns: str
The name for this row modified to pass ASL syntax

hasStructure(self)

 

Is a structure set for this row?

Returns: bool
True if yes, False if no

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2015-3 Schrodinger Python API
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