Source code for stk.ea.selection.selectors.remove_batches

Remove Batches


from .selector import Selector

[docs]class RemoveBatches(Selector): """ Prevents a :class:`.Selector` from selecting some batches. Examples -------- *Removing Batches From Selection* You want to use :class:`.Roulette` selection on all but the 5 :class:`.Worst` batches .. testcode:: removing-batches-from-selection import stk selector = stk.RemoveBatches( remover=stk.Worst(5), selector=stk.Roulette(20), ) population = tuple( stk.MoleculeRecord( topology_graph=stk.polymer.Linear( building_blocks=( stk.BuildingBlock( smiles='BrCCBr', functional_groups=[stk.BromoFactory()], ), ), repeating_unit='A', num_repeating_units=2, ), ).with_fitness_value(i) for i in range(100) ) for batch in # Do stuff with batch. It was selected with roulette # selection and is not one of the worst 5 batches. pass """
[docs] def __init__(self, remover, selector): """ Initialize a :class:`.RemoveBatches` instance. Parameters ---------- remover : :class:`.Selector` Selects batches of molecules, which cannot be yielded by `selector`. selector : :class:`.Selector` Selects batches of molecules, except those selected by `remover`. """ self._remover = remover self._selector = selector
[docs] def select( self, population, included_batches=None, excluded_batches=None, ): removed_batches = { batch.get_identity_key() for batch in population=population, included_batches=included_batches, excluded_batches=excluded_batches, ) } if excluded_batches is not None: removed_batches |= excluded_batches yield from population=population, included_batches=included_batches, excluded_batches=removed_batches, )