Source code for scm.glompo.stoppers.maxfunctioncalls

from .basestopper import BaseStopper
from ..core.optimizerlogger import BaseLogger
from ...plams.core.settings import Settings

__all__ = ("MaxFunctionCalls",)


[docs]class MaxFunctionCalls(BaseStopper):
    """Keeps an optimizer alive for a minimum number of function evaluations.

    :Parameters:

    min_pts
        Minimum number of points for which an optimizer should be kept alive.

    :Returns:

    bool
        Returns ``True`` after the function has been evaluated at least ``min_pts`` times.
    """

    def __init__(self, min_pts: int):
        super().__init__()
        if min_pts > 0 and isinstance(min_pts, int):
            self.min_pts = min_pts
        else:
            raise ValueError("min_pts must be a positive integer.")

    def __call__(self, log: BaseLogger, best_opt_id: int, tested_opt_id: int) -> bool:
        self.last_result = log.len(tested_opt_id) >= self.min_pts
        return self.last_result

    def __amssettings__(self, s: Settings) -> Settings:
        s.input.ams.Stopper.Type = "MaxFunctionCalls"
        s.input.ams.Stopper.MaxFunctionCalls = self.min_pts
        return s