Package schrodinger :: Package application :: Package jaguar :: Package gui :: Module base_panel :: Class ExcitedStateValidatorMixin
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Class ExcitedStateValidatorMixin

            object --+    
                     |    
InputMultiplicityMixin --+
                         |
                        ExcitedStateValidatorMixin
Known Subclasses:

A mixin that verifies that there are no input structures with spin multiplicity greater than one when excited state toggle is set in theory tab. Classes that use this mixin must have both "Input" and "Theory" tabs.

Instance Methods [hide private]
 
setup(self)
Initialize Mixin.
bool or tuple
checkMultiplicity(self)
When excited state toggle is checked in theory tab, construct list of entries with spin multiplicity greater than one.
 
_getMultiplicityWarningText(self, names)
This function creates a text of warning message that will contain names of entries with multiplicity > 1.

Inherited from object: __delattr__, __format__, __getattribute__, __hash__, __init__, __new__, __reduce__, __reduce_ex__, __repr__, __setattr__, __sizeof__, __str__, __subclasshook__

Properties [hide private]

Inherited from object: __class__

Method Details [hide private]

setup(self)

 

Initialize Mixin.

Overrides: InputMultiplicityMixin.setup

checkMultiplicity(self)

 

When excited state toggle is checked in theory tab, construct list of entries with spin multiplicity greater than one. If such entries are found a warning message is presented that shows their names.

Returns: bool or tuple
True if all calculations can be run, otherwise returns a tuple that contains False and a string with informative message.
Decorators:
  • @af2.validator()

_getMultiplicityWarningText(self, names)

 

This function creates a text of warning message that will contain names of entries with multiplicity > 1.

Parameters:
  • names (list) - list of entry names