Package schrodinger :: Package application :: Package matsci :: Package genetic_optimization :: Module genetic_optimization :: Class ClassEvaluator
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Class ClassEvaluator

object --+
         |
        ClassEvaluator
Known Subclasses:

Manage a class evaluator.

Instance Methods [hide private]
 
__init__(self, structs, properties)
Create an instance.
 
runIt(self)
Run it.

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

Properties [hide private]

Inherited from object: __class__

Method Details [hide private]

__init__(self, structs, properties)
(Constructor)

 

Create an instance.

Parameters:
  • structs (list of schrodinger.structure.Structure) - contains input structures
  • properties (dict) - keys are (name, key) tuples with name and key the property name and structure property key to be created, values are dicts of kwargs
Overrides: object.__init__

runIt(self)

 

Run it.

Raises:
  • RuntimeError - for any issue