first version

plugin/cmd_singleton.py

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+#!/usr/bin/env python
+# -*- encoding: utf-8 -*-
+'''
+@file               :base.py
+@Description:       :pymol cmd 全局单例
+@Date               :2023/09/24 12:34:33
+@Author             :lyzeng
+@Email              :pylyzeng@gmail.com
+@version            :1.0
+'''
+# pymol_singleton.py
+import sys
+from pathlib import Path
+from pymol import cmd as pymol_cmd, launch as pymol_launch
+from typing import Any
+from dataclasses import dataclass, field, InitVar
+here = Path(__file__).absolute().parent
+sys.path.append(here.as_posix())
+from plugin.config import colorp, font, mole, atom
+
+@dataclass
+class PyMOLSingleton:
+    _instance: InitVar[Any] = None  # InitVar类型表示这个字段仅用于__post_init__
+    colorp: type(colorp) = field(default_factory=colorp)  # 使用default_factory设置默认值
+
+    def __new__(cls, *args, **kwargs):
+        if cls._instance is None:
+            cls._instance = super(PyMOLSingleton, cls).__new__(cls)
+        return cls._instance
+
+    def __post_init__(self, _instance):
+        if _instance is None:
+            # 绑定pymol.cmd的所有方法到这个单例对象
+            for attr in dir(pymol_cmd):
+                if callable(getattr(pymol_cmd, attr)) and not attr.startswith("__"):
+                    setattr(self, attr, getattr(pymol_cmd, attr))
+            # 初始化配色
+            self.defcolor()
+            # 启动PyMOL界面
+            self.launch()
+
+    def defcolor(self):
+        # 根据self.colorp生成颜色
+        color_gennerate = map(lambda x: x[0], self.colorp.colors)
+        list(map(lambda x: self.set_color(*x), color_gennerate))  # 使用self.set_color而不是cmd.set_color
+        self.set_color(*self.colorp.grey1)  # 使用self.set_color而不是cmd.set_color
+
+    def launch(self):
+        pymol_launch()  # 使用pymol的launch函数来启动PyMOL界面
+
+# 创建单例对象并暴露给其他模块
+cmd = PyMOLSingleton()