# Mutator.
# #####################################################################
mutator = stk.Random(
stk.RandomBuildingBlock(
amine_building_blocks,
key=lambda mol: mol.func_groups[0].fg_type.name == "primary_amine",
duplicate_building_blocks=False,
random_seed=random_seed,
),
stk.SimilarBuildingBlock(
amine_building_blocks,
key=lambda mol: mol.func_groups[0].fg_type.name == "primary_amine",
duplicate_building_blocks=False,
random_seed=random_seed,
),
stk.RandomBuildingBlock(
aldehyde_building_blocks,
key=lambda mol: mol.func_groups[0].fg_type.name == "aldehyde",
duplicate_building_blocks=False,
random_seed=random_seed,
),
stk.SimilarBuildingBlock(
aldehyde_building_blocks,
key=lambda mol: mol.func_groups[0].fg_type.name == "aldehyde",
duplicate_building_blocks=False,
random_seed=random_seed,
),
)
# #####################################################################
# Optimizer.
mutator = stk.Random(
stk.RandomBuildingBlock(
building_blocks=amines,
key=lambda mol: mol.func_groups[0].fg_type.name == 'amine',
duplicate_building_blocks=False,
random_seed=random_seed,
use_cache=True,
),
stk.SimilarBuildingBlock(
building_blocks=amines,
key=lambda mol: mol.func_groups[0].fg_type.name == 'amine',
duplicate_building_blocks=False,
random_seed=random_seed,
use_cache=True,
),
stk.RandomBuildingBlock(
building_blocks=aldehydes,
key=lambda mol: mol.func_groups[0].fg_type.name == 'aldehyde',
duplicate_building_blocks=False,
random_seed=random_seed,
use_cache=True,
),
stk.SimilarBuildingBlock(
building_blocks=aldehydes,
key=lambda mol: mol.func_groups[0].fg_type.name == 'aldehyde',
duplicate_building_blocks=False,
random_seed=random_seed,
use_cache=True,
),
random_seed=random_seed,
)
