feat: improved implementation and validations of configs

diceplayer/config/gaussian_config.py

@@ -1,10 +1,9 @@
-from typing import Literal
+from diceplayer.shared.utils.dataclass_protocol import Dataclass
 
 from pydantic import BaseModel, Field
 
-from diceplayer.shared.utils.dataclass_protocol import Dataclass
-
 from dataclasses import dataclass, fields
+from typing import Literal
 
 
 class GaussianConfig(BaseModel):
@@ -13,9 +12,18 @@ class GaussianConfig(BaseModel):
     """
 
     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")
+    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")
+    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")
+    keywords: str = Field(
+        None, description="Additional keywords for the QM calculations"
+    )