Package schrodinger :: Package ui :: Module ligfilter :: Class LigfilterFrame

Class LigfilterFrame

PyQt4.QtGui.QWidget --+
                      |
                     LigfilterFrame

Frame for setting up Ligfilter jobs, including property/SMARTS criteria and new definitions. This is the main class in this module.

Instance Methods

[hide private]

__init__(self, parent, show_properties_tab=True)

filterSelectionChanged(self, selected=None, deselected=None)

setPatternOptions(self)
Set the option menu list of keys to the predefined keys, the default patterns, and any custom patterns.

getSelectedPatternName(self)
Return the name of the selected pattern (or None)

selectPattern(self)

selectPredefined(self)

selectProperty(self)

setMultiplePropCriterionState(self, result)

setMultiplePredefinedCriterionState(self, result)

setMultiplePatternCriterionState(self, result)

updateText(self)
Rewrite the text in the criteria/patterns text box

addPropCriterion(self)

addpropop1Modified(self, result)
Callback for the first operator OptionMenu on the Properties tab.

checkPropertyType(self, prop)
Callback for modifications to the property EntryField.

viewPattern(self)

addPredefinedCriterion(self)

addPatternCriterion(self)

addPattern(self)
Callback function for the "New" button.

importFilterFile(self)
Read in an external filter file

readFilterCriteria(self, fh)
Reads the filter criteria from the specified open file handle or a list strings (lines in a filter file).

deleteEntry(self)
Delete the selected criterion or pattern

setDefaults(self)

setProperties(self, propertylist, resettable=True)
Set the available CT-level properties.

getFilterText(self)
Will return a string representation of the specified criteria, including any user-defined definitions.

warning(self, text)

setup(self, jobparam)
Function passed to AppFramework that is called as part of the setup cascade when a job is started/written.

Method Details

[hide private]

setPatternOptions(self)

Set the option menu list of keys to the predefined keys, the default patterns, and any custom patterns. There always are predefined keys, so the "add pattern criterion" widgets stay enabled. The "delete pattern" widgets are disabled if no custom patterns are defined.

addpropop1Modified(self, result)

Callback for the first operator OptionMenu on the Properties tab. Disables the rest of the "Add criterion" widgets when property existence is being checked.

checkPropertyType(self, prop)

Callback for modifications to the property EntryField. Adjust the operator list and value validator according to the property type entered. The EntryField may need to be cleared to prevent non-modifiable values (e.g., when switching from string to integer).

addPattern(self)

Callback function for the "New" button. Pops up a dialog for construction the new definition, and incorporates the new (or redefined) pattern if the dialog returns one.

setProperties(self, propertylist, resettable=True)

Set the available CT-level properties. If this properties list should not be reset when the user presses the Reset button (See Ev:132763), set resettable to False.

getFilterText(self)

Will return a string representation of the specified criteria, including any user-defined definitions. Returns a Python Unicode string.

setup(self, jobparam)

Function passed to AppFramework that is called as part of the setup cascade when a job is started/written. Place all data in the jobparam object necessary for running the job.