chore: fixes tests

This commit is contained in:
2026-02-26 06:23:30 -03:00
parent f56d6b6b36
commit e5c6282c86
18 changed files with 284 additions and 127 deletions

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from pydantic import BaseModel, Field
from diceplayer.shared.utils.dataclass_protocol import Dataclass
from dataclasses import dataclass, fields
from typing import List, Literal
class DiceConfig(BaseModel):
"""
Data Transfer Object for the Dice configuration.
"""
ljname: str = Field(..., description="Name of the Lennard-Jones potential file")
outname: str = Field(..., description="Name of the output file for the simulation results")
dens: float = Field(..., description="Density of the system")
nmol: List[int] = Field(..., description="List of the number of molecules for each component")
nstep: List[int] = Field(..., description="List of the number of steps for each component", min_length=2, max_length=3)
upbuf: int = Field(360, description="Buffer size for the potential energy calculations")
combrule: Literal["+", "*"] = Field("*", description="Combination rule for the Lennard-Jones potential")
isave: int = Field(1000, description="Frequency of saving the simulation results")
press: float = Field(1.0, description="Pressure of the system")
temp: float = Field(300.0, description="Temperature of the system")
progname: str = Field("dice", description="Name of the program to run the simulation")
randominit: str = Field("first", description="Method for initializing the random number generator")
seed: int | None = Field(None, description="Seed for the random number generator")