Adds Formatter to Project

This commit is contained in:
2023-06-11 16:04:25 -03:00
parent 82f3092f3e
commit c4dae5e8d1
29 changed files with 1151 additions and 721 deletions

View File

@@ -1,31 +1,29 @@
from diceplayer.shared.utils.dataclass_protocol import Dataclass
from dataclasses import dataclass
from dacite import from_dict
from dataclasses import dataclass
@dataclass
class GaussianDTO(Dataclass):
"""
Data Transfer Object for the Gaussian configuration.
"""
level: str
qmprog: str
chgmult = [0, 1]
pop: str = 'chelpg'
pop: str = "chelpg"
chg_tol: float = 0.01
keywords: str = None
def __post_init__(self):
if self.qmprog not in ("g03", "g09", "g16"):
raise ValueError(
"Error: invalid qmprog value."
)
raise ValueError("Error: invalid qmprog value.")
if self.level is None:
raise ValueError(
"Error: 'level' keyword not specified in config file."
)
raise ValueError("Error: 'level' keyword not specified in config file.")
@classmethod
def from_dict(cls, param: dict):