47 lines
1.3 KiB
Python
47 lines
1.3 KiB
Python
from diceplayer.config.dice_config import DiceConfig
|
|
from diceplayer.config.gaussian_config import GaussianConfig
|
|
from diceplayer.shared.utils.dataclass_protocol import Dataclass
|
|
|
|
from dataclasses import dataclass, fields
|
|
|
|
|
|
@dataclass
|
|
class PlayerConfig(Dataclass):
|
|
"""
|
|
Data Transfer Object for the player configuration.
|
|
"""
|
|
|
|
opt: bool
|
|
maxcyc: int
|
|
nprocs: int
|
|
ncores: int
|
|
|
|
dice: DiceConfig
|
|
gaussian: GaussianConfig
|
|
|
|
mem: int = None
|
|
switchcyc: int = 3
|
|
qmprog: str = "g16"
|
|
altsteps: int = 20000
|
|
geoms_file = "geoms.xyz"
|
|
simulation_dir = "simfiles"
|
|
|
|
def __post_init__(self):
|
|
MIN_STEP = 20000
|
|
# altsteps value is always the nearest multiple of 1000
|
|
self.altsteps = round(max(MIN_STEP, self.altsteps) / 1000) * 1000
|
|
|
|
@classmethod
|
|
def from_dict(cls, params: dict):
|
|
if params["dice"] is None:
|
|
raise ValueError("Error: 'dice' keyword not specified in config file.")
|
|
params["dice"] = DiceConfig.model_validate(params["dice"])
|
|
|
|
if params["gaussian"] is None:
|
|
raise ValueError("Error: 'gaussian' keyword not specified in config file.")
|
|
params["gaussian"] = GaussianConfig.model_validate(params["gaussian"])
|
|
|
|
params = {f.name: params[f.name] for f in fields(cls) if f.name in params}
|
|
|
|
return cls(**params)
|