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

object --+
         |
        Crossover

Instance Methods [hide private]
tuple
bondCrossover(self, genome, **args)
Perform a crossover operation by swapping molecular fragments at two randomly choosen bonds, i.e.

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]

bondCrossover(self, genome, **args)

 

Perform a crossover operation by swapping molecular fragments at two randomly choosen bonds, i.e. a double displacement reaction channel.

Parameters:
  • genome (StructureGenome) - a genome
  • args (dict) - dictionary of genetic optimization parameters created and used by pyevolve
Returns: tuple
tuple containing the sister and brother StructureGenome