Package schrodinger :: Package application :: Package matsci :: Module builderwidgets :: Class ComplexTemplateSketcher

Class ComplexTemplateSketcher

PyQt4.QtGui.QFrame --+        
                     |        
 ui.qt.swidgets.SFrame --+    
                         |    
               SketcherBox --+
                             |
                            ComplexTemplateSketcher

A 2D sketcher that is decorated with a number of widgets for creating and saving templates. Overrides the parent class mainly for validation of the template structure.

This class is specifically for templates for the Single and Multi complex builders, which use a different directory name for historical reasons

Instance Methods

[hide private]

__init__(self, *args, **kwargs)
Create a SketcherBox instance

moveOldTemplates(self)
Move any templates from the old location to the new one that is used starting in 2014-3

bool

validateRAtomIdentity(self, rx_atoms, max_x)
Run validation on the values of the R atoms and error code.

bool

validateRAtomStructure(self, struct, rx_atoms, max_x)
Overwrite in a child class to run validation on the R atoms that requires a schrodinger.structure.Structure object.

Inherited from SketcherBox: buildTemplateList, changeMarkerAtomsToTempElement, clearSketcher, getDefaultCustomTemplateDir, getRecentTemplatePath, getRecentTemplatesList, getRxAtoms, getSketcherStructure, getUserTemplateList, importWorkspace, loadTemplate, manageTemplates, readTemplateStructure, reset, saveTemplate, setCustomTemplateDir, setSketcherStructure, updateRecentTemplateFile

Inherited from SketcherBox (private): _getChmMolFromCT

Class Variables

[hide private]

Inherited from SketcherBox: MARKING_INFO, templatesUpdated

Method Details

[hide private]

init(self, *args, **kwargs)
(Constructor)

Create a SketcherBox instance

Parameters:

master - Must have a warning method
builtin_path - The absolute path to the built-in templates
custom_dirname - The base name of the path to the custom templates
layout - The layout to place this widget into

Overrides: ui.qt.swidgets.SFrame.__init__

(inherited documentation)

validateRAtomIdentity(self, rx_atoms, max_x)

Run validation on the values of the R atoms and error code. An error message is be displayed to the user by this method if appropriate

Parameters:

rx_atoms (dict) - keys are the int value of x in Rx, values are lists of atom indexes set to that Rx value (atom indexes are 1-based)
max_x (int) - The larget value of x in the keys of rx_atoms

Returns: bool

True if everything is OK, False if not

Overrides: SketcherBox.validateRAtomIdentity

validateRAtomStructure(self, struct, rx_atoms, max_x)

Overwrite in a child class to run validation on the R atoms that requires a schrodinger.structure.Structure object. An error message should be displayed to the user by this method if appropriate.

Parameters:

struct (schrodinger.structure.Structure) - The structure to use for validating the Ra atoms
rx_atoms (dict) - keys are the int value of x in Rx, values are lists of atom indexes set to that Rx value (atom indexes are 1-based)
max_x (int) - The larget value of x in the keys of rx_atoms

Returns: bool

True if everything is OK, False if not

Overrides: SketcherBox.validateRAtomStructure

Class ComplexTemplateSketcher

__init__(self, *args, **kwargs) (Constructor)

validateRAtomIdentity(self, rx_atoms, max_x)

validateRAtomStructure(self, struct, rx_atoms, max_x)

init(self, *args, **kwargs)
(Constructor)