from stk._internal.construction_state.construction_state import (
ConstructionState,
)
[docs]
class Optimizer:
"""
An abstract base class for optimizers.
An optimizer is used to change the structure of the molecule under
construction to be more realistic.
"""
[docs]
def optimize(self, state: ConstructionState) -> ConstructionState:
"""
Optimize the structure of a molecule under construction.
Parameters:
state:
The molecule being constructed.
Returns:
The optimized construction state.
"""
raise NotImplementedError()