分离算法

src/heurams/kernel/particles/atom.py

@@ -1,10 +1,22 @@
 from .electron import Electron
 from .nucleon import Nucleon
+from typing import TypedDict
 import pathlib
 import typing
 import toml
 import json
 
+class AtomRegister(TypedDict):
+    nucleon: Nucleon
+    nucleon_path: pathlib.Path
+    nucleon_fmt: str
+    electron: Electron
+    electron_path: pathlib.Path
+    electron_fmt: str
+    orbital: dict
+    orbital_path: pathlib.Path
+    orbital_fmt: str
+
 class Atom():
     """
     统一处理一系列对象的所有信息与持久化:
@@ -14,9 +26,11 @@ class Atom():
         以及关联路径
     """
 
+
+
     def __init__(self, ident = ""):
         self.ident = ident
-        self.register = {
+        self.register: AtomRegister = { # type: ignore
             "nucleon": None,
             "nucleon_path": None,
             "nucleon_fmt": "toml",
@@ -49,6 +63,17 @@ class Atom():
                 raise KeyError("不受支持的持久化格式")
         else:
             raise TypeError("对未初始化的路径对象操作")
+        
+    def __getitem__(self, key):
+        if key in self.register:
+            return self.register[key]
+        raise KeyError(f"不支持的键: {key}")
+
+    def __setitem__(self, key, value):
+        if key in self.register:
+            self.register[key] = value
+        else:
+            raise KeyError(f"不支持的键: {key}")
 
     @staticmethod
     def placeholder():