MoleditPy 2.2.2__tar.gz → 2.2.4__tar.gz

{moleditpy-2.2.2 → moleditpy-2.2.4}/PKG-INFO

@@ -1,6 +1,6 @@
 Metadata-Version: 2.4
 Name: MoleditPy
-Version: 2.2.2
+Version: 2.2.4
 Summary: A cross-platform, simple, and intuitive molecular structure editor built in Python. It allows 2D molecular drawing and 3D structure visualization. It supports exporting structure files for input to DFT calculation software.
 Author-email: HiroYokoyama <titech.yoko.hiro@gmail.com>
 License:                     GNU GENERAL PUBLIC LICENSE

{moleditpy-2.2.2 → moleditpy-2.2.4}/pyproject.toml

@@ -5,7 +5,7 @@ build-backend = "setuptools.build_meta"
 [project]
 name = "MoleditPy"
 
-version = "2.2.2"
+version = "2.2.4"
 
 license = {file = "LICENSE"}
 

{moleditpy-2.2.2 → moleditpy-2.2.4}/src/MoleditPy.egg-info/PKG-INFO

@@ -1,6 +1,6 @@
 Metadata-Version: 2.4
 Name: MoleditPy
-Version: 2.2.2
+Version: 2.2.4
 Summary: A cross-platform, simple, and intuitive molecular structure editor built in Python. It allows 2D molecular drawing and 3D structure visualization. It supports exporting structure files for input to DFT calculation software.
 Author-email: HiroYokoyama <titech.yoko.hiro@gmail.com>
 License:                     GNU GENERAL PUBLIC LICENSE

{moleditpy-2.2.2 → moleditpy-2.2.4}/src/moleditpy/modules/constants.py

@@ -16,7 +16,7 @@ from PyQt6.QtGui import QFont, QColor
 from rdkit import Chem
 
 #Version
-VERSION = '2.2.2'
+VERSION = '2.2.4'
 
 ATOM_RADIUS = 18
 BOND_OFFSET = 3.5

{moleditpy-2.2.2 → moleditpy-2.2.4}/src/moleditpy/modules/main_window_compute.py

@@ -84,10 +84,6 @@ except Exception:
 class MainWindowCompute(object):
     """ main_window.py から分離された機能クラス """
 
-    def __init__(self, main_window):
-        """ クラスの初期化 """
-        self.mw = main_window
-
 
     def set_optimization_method(self, method_name):
         """Set preferred 3D optimization method and persist to settings.
@@ -209,8 +205,8 @@ class MainWindowCompute(object):
                 menu.addAction(a)
 
             # Add Plugin Optimization Methods
-            if hasattr(self.mw, 'plugin_manager') and self.mw.plugin_manager.optimization_methods:
-                methods = self.mw.plugin_manager.optimization_methods
+            if hasattr(self, 'plugin_manager') and self.plugin_manager.optimization_methods:
+                methods = self.plugin_manager.optimization_methods
                 if methods:
                      menu.addSeparator()
                      for method_name, info in methods.items():
@@ -781,8 +777,9 @@ class MainWindowCompute(object):
                     self.statusBar().showMessage(f"UFF (RDKit) optimization error: {e}")
                     return
             # Plugin method dispatch
-            elif hasattr(self.mw, 'plugin_manager') and hasattr(self.mw.plugin_manager, 'optimization_methods') and method in self.mw.plugin_manager.optimization_methods:
-                info = self.mw.plugin_manager.optimization_methods[method]
+            # Plugin method dispatch
+            elif hasattr(self, 'plugin_manager') and hasattr(self.plugin_manager, 'optimization_methods') and method in self.plugin_manager.optimization_methods:
+                info = self.plugin_manager.optimization_methods[method]
                 callback = info['callback']
                 try:
                      success = callback(self.current_mol)

{moleditpy-2.2.2 → moleditpy-2.2.4}/src/moleditpy/modules/main_window_dialog_manager.py

@@ -111,10 +111,6 @@ except Exception:
 class MainWindowDialogManager(object):
     """ main_window.py から分離された機能クラス """
 
-    def __init__(self, main_window):
-        """ クラスの初期化 """
-        self.mw = main_window
-
 
     def show_about_dialog(self):
         """Show the custom About dialog with Easter egg functionality"""

{moleditpy-2.2.2 → moleditpy-2.2.4}/src/moleditpy/modules/main_window_edit_3d.py

@@ -84,10 +84,6 @@ except Exception:
 class MainWindowEdit3d(object):
     """ main_window.py から分離された機能クラス """
 
-    def __init__(self, main_window):
-        """ クラスの初期化 """
-        self.mw = main_window
-
 
     def toggle_measurement_mode(self, checked):
         """測定モードのオン/オフを切り替える"""

{moleditpy-2.2.2 → moleditpy-2.2.4}/src/moleditpy/modules/main_window_edit_actions.py

@@ -102,10 +102,6 @@ except Exception:
 class MainWindowEditActions(object):
     """ main_window.py から分離された機能クラス """
 
-    def __init__(self, main_window):
-        """ クラスの初期化 """
-        self.mw = main_window
-
 
     def copy_selection(self):
         """選択された原子と結合をクリップボードにコピーする"""

{moleditpy-2.2.2 → moleditpy-2.2.4}/src/moleditpy/modules/main_window_export.py

@@ -88,10 +88,6 @@ except Exception:
 class MainWindowExport(object):
     """ main_window.py から分離された機能クラス """
 
-    def __init__(self, main_window):
-        """ クラスの初期化 """
-        self.mw = main_window
-
 
     def export_stl(self):
         """STLファイルとしてエクスポート（色なし）"""

{moleditpy-2.2.2 → moleditpy-2.2.4}/src/moleditpy/modules/main_window_main_init.py

@@ -1897,7 +1897,7 @@ class MainWindowMainInit(object):
 
                     # Add action to the resolved parent_menu
                     action = QAction(p['name'], self)
-                    action.triggered.connect(lambda checked, mod=p['module']: self.plugin_manager.run_plugin(mod, self.mw if hasattr(self, 'mw') else self)) 
+                    action.triggered.connect(lambda checked, mod=p['module']: self.plugin_manager.run_plugin(mod, self)) 
                     parent_menu.addAction(action)
 
         # 4. Integrate Export Actions into Export Button and Menu
@@ -1934,29 +1934,52 @@ class MainWindowMainInit(object):
                      a.setData(PLUGIN_ACTION_TAG)
                      menu.addAction(a)
 
+        # 5. Integrate File Openers into Import Menu
         # 5. Integrate File Openers into Import Menu
         if hasattr(self, 'import_menu') and self.plugin_manager.file_openers:
              # Add separator 
              sep = self.import_menu.addSeparator()
              sep.setData(PLUGIN_ACTION_TAG)
              
+             # Group by Plugin Name
+             plugin_map = {}
              for ext, info in self.plugin_manager.file_openers.items():
-                 label = f"Import {ext} ({info.get('plugin', 'Plugin')})..."
+                 p_name = info.get('plugin', 'Plugin')
+                 if p_name not in plugin_map:
+                     plugin_map[p_name] = {}
+                 plugin_map[p_name][ext] = info['callback']
+            
+             for p_name, ext_map in plugin_map.items():
+                 # Create combined label: "Import .ext1/.ext2 (PluginName)..."
+                 extensions = sorted(ext_map.keys())
+                 ext_str = "/".join(extensions)
+                 label = f"Import {ext_str} ({p_name})..."
+                 
+                 # Create combined filter: "PluginName Files (*.ext1 *.ext2)"
+                 filter_exts = " ".join([f"*{e}" for e in extensions])
+                 filter_str = f"{p_name} Files ({filter_exts});;All Files (*)"
                  
-                 def make_cb(callback):
+                 # Factory for callback to fix closure capture
+                 def make_unified_cb(extensions_map, dialog_filter, plugin_nm):
                      def _cb():
                          fpath, _ = QFileDialog.getOpenFileName(
-                             self, f"Import {ext}", "", 
-                             f"{info.get('plugin', 'Plugin')} File (*{ext});;All Files (*)"
+                             self, f"Import {plugin_nm} Files", "", 
+                             dialog_filter
                          )
                          if fpath:
-                             callback(fpath)
-                             self.current_file_path = fpath 
-                             self.update_window_title()
+                             _, extension = os.path.splitext(fpath)
+                             extension = extension.lower()
+                             # Dispatch to specific callback
+                             if extension in extensions_map:
+                                 extensions_map[extension](fpath)
+                                 self.current_file_path = fpath 
+                                 self.update_window_title()
+                             else:
+                                 self.statusBar().showMessage(f"No handler for extension {extension}")
                      return _cb
 
                  a = QAction(label, self)
-                 a.triggered.connect(make_cb(info['callback']))
+                 a.triggered.connect(make_unified_cb(ext_map, filter_str, p_name))
                  a.setData(PLUGIN_ACTION_TAG)
                  self.import_menu.addAction(a)
     

{moleditpy-2.2.2 → moleditpy-2.2.4}/src/moleditpy/modules/main_window_molecular_parsers.py

@@ -88,10 +88,6 @@ except Exception:
 class MainWindowMolecularParsers(object):
     """ main_window.py から分離された機能クラス """
 
-    def __init__(self, main_window):
-        """ クラスの初期化 """
-        self.mw = main_window
-
 
     def load_mol_file(self, file_path=None):
         if not self.check_unsaved_changes():

{moleditpy-2.2.2 → moleditpy-2.2.4}/src/moleditpy/modules/main_window_project_io.py

@@ -83,10 +83,6 @@ except Exception:
 class MainWindowProjectIo(object):
     """ main_window.py から分離された機能クラス """
 
-    def __init__(self, main_window):
-        """ クラスの初期化 """
-        self.mw = main_window
-
 
     def save_project(self):
         """上書き保存（Ctrl+S）- デフォルトでPMEPRJ形式"""

{moleditpy-2.2.2 → moleditpy-2.2.4}/src/moleditpy/modules/main_window_string_importers.py

@@ -82,10 +82,6 @@ except Exception:
 class MainWindowStringImporters(object):
     """ main_window.py から分離された機能クラス """
 
-    def __init__(self, main_window):
-        """ クラスの初期化 """
-        self.mw = main_window
-
 
     def import_smiles_dialog(self):
         """ユーザーにSMILES文字列の入力を促すダイアログを表示する"""

{moleditpy-2.2.2 → moleditpy-2.2.4}/src/moleditpy/modules/main_window_view_3d.py

@@ -88,10 +88,6 @@ except Exception:
 class MainWindowView3d(object):
     """ main_window.py から分離された機能クラス """
 
-    def __init__(self, main_window):
-        """ クラスの初期化 """
-        self.mw = main_window
-
 
     def set_3d_style(self, style_name):
         """3D表示スタイルを設定し、ビューを更新する"""
@@ -121,7 +117,7 @@ class MainWindowView3d(object):
 
     def draw_molecule_3d(self, mol):
         """Dispatch to custom style or standard drawing."""
-        mw = self.mw if hasattr(self, 'mw') else self
+        mw = self
         
         if hasattr(mw, 'plugin_manager') and hasattr(mw.plugin_manager, 'custom_3d_styles'):
              if hasattr(self, 'current_3d_style') and self.current_3d_style in mw.plugin_manager.custom_3d_styles:

{moleditpy-2.2.2 → moleditpy-2.2.4}/src/moleditpy/modules/main_window_view_loaders.py

@@ -79,10 +79,6 @@ except Exception:
 class MainWindowViewLoaders(object):
     """ main_window.py から分離された機能クラス """
 
-    def __init__(self, main_window):
-        """ クラスの初期化 """
-        self.mw = main_window
-
     def load_xyz_for_3d_viewing(self, file_path=None):
         """XYZファイルを読み込んで3Dビューアで表示する"""
         if not file_path: