Read Potentials and Initial Testing

diceplayer/shared/config/gaussian_dto.py

@@ -0,0 +1,28 @@
+from diceplayer.shared.utils.dataclass_protocol import Dataclass
+
+from dataclasses import dataclass
+from dacite import from_dict
+
+
+@dataclass
+class GaussianDTO(Dataclass):
+    level: str
+    qmprog: str
+    keywords: str
+
+    chgmult = [0, 1]
+    pop: str = 'chelpg'
+
+    def __post_init__(self):
+        if self.qmprog not in ("g03", "g09", "g16"):
+            raise ValueError(
+                "Error: invalid qmprog value."
+            )
+        if self.level is None:
+            raise ValueError(
+                "Error: 'level' keyword not specified in config file."
+            )
+
+    @classmethod
+    def from_dict(cls, param: dict):
+        return from_dict(GaussianDTO, param)