Implements More Tests and Begins Dice Refactor Implementation

diceplayer/shared/config/step_dto.py

@@ -0,0 +1,18 @@
+from diceplayer.shared.environment.molecule import Molecule
+
+from dataclasses import dataclass
+from typing import List
+
+
+@dataclass
+class StepDTO:
+    nprocs: int = None
+    ncores: int = None
+    altsteps: int = None
+    switchcyc: int = None
+    opt: str = None
+    nmol: List[int] = None
+    molecule: List[Molecule] = None
+
+    charges: List[float] = None
+    position: List[float] = None