QuAcc/quacc/main.py

import logging as log
import traceback
from sys import platform

import quacc.evaluation.comp as comp
from quacc.dataset import Dataset
from quacc.environment import env
from quacc.utils import create_dataser_dir


def toast():
    if platform == "win32":
        import win11toast

        win11toast.notify("Comp", "Completed Execution")


def estimate_comparison():
    for conf in env.get_confs():
        create_dataser_dir(conf, update=env.DATASET_DIR_UPDATE)
        dataset = Dataset(
            env.DATASET_NAME,
            target=env.DATASET_TARGET,
            n_prevalences=env.DATASET_N_PREVS,
        )
        try:
            dr = comp.evaluate_comparison(dataset, estimators=env.COMP_ESTIMATORS)
            for plot_conf in env.get_plot_confs():
                for m in env.METRICS:
                    output_path = env.OUT_DIR / f"{plot_conf}_{m}.md"
                    with open(output_path, "w") as f:
                        f.write(
                            dr.to_md(
                                conf=plot_conf,
                                metric=m,
                                estimators=env.PLOT_ESTIMATORS,
                                stdev=env.PLOT_STDEV,
                            )
                        )
        except Exception as e:
            log.error(f"Configuration {conf} failed. Exception: {e}")
            traceback(e)

    # print(df.to_latex(float_format="{:.4f}".format))
    # print(utils.avg_group_report(df).to_latex(float_format="{:.4f}".format))


def main():
    log.basicConfig(
        filename="quacc.log",
        filemode="a",
        format="%(asctime)s| %(levelname)s: %(message)s",
        datefmt="%d/%m/%y %H:%M:%S",
    )
    estimate_comparison()
    toast()


if __name__ == "__main__":
    main()