from diceplayer.shared.utils.dataclass_protocol import Dataclass

from pydantic import BaseModel, Field

from dataclasses import dataclass, fields
from typing import Literal


class GaussianConfig(BaseModel):
    """
    Data Transfer Object for the Gaussian configuration.
    """

    level: str = Field(..., description="Level of theory for the QM calculations")
    qmprog: Literal["g03", "g09", "g16"] = Field(
        "g16", description="QM program to use for the calculations"
    )

    chgmult: list[int] = Field(
        default_factory=lambda: [0, 1],
        description="List of charge and multiplicity for the QM calculations",
    )
    pop: str = Field(
        "chelpg", description="Population analysis method for the QM calculations"
    )
    chg_tol: float = Field(0.01, description="Charge tolerance for the QM calculations")
    keywords: str = Field(
        None, description="Additional keywords for the QM calculations"
    )