MoleditPy 2.2.0__tar.gz → 2.2.0a0__tar.gz

{moleditpy-2.2.0 → moleditpy-2.2.0a0}/PKG-INFO

@@ -1,6 +1,6 @@
 Metadata-Version: 2.4
 Name: MoleditPy
-Version: 2.2.0
+Version: 2.2.0a0
 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-2.2.0 → moleditpy-2.2.0a0}/pyproject.toml

@@ -5,7 +5,7 @@ build-backend = "setuptools.build_meta"
 [project]
 name = "MoleditPy"
 
-version = "2.2.0"
+version = "2.2.0a0"
 
 license = {file = "LICENSE"}
 

{moleditpy-2.2.0 → moleditpy-2.2.0a0}/src/MoleditPy.egg-info/PKG-INFO

@@ -1,6 +1,6 @@
 Metadata-Version: 2.4
 Name: MoleditPy
-Version: 2.2.0
+Version: 2.2.0a0
 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-2.2.0 → moleditpy-2.2.0a0}/src/moleditpy/modules/constants.py

@@ -16,7 +16,7 @@ from PyQt6.QtGui import QFont, QColor
 from rdkit import Chem
 
 #Version
-VERSION = '2.2.0'
+VERSION = '2.2.0a0'
 
 ATOM_RADIUS = 18
 BOND_OFFSET = 3.5

{moleditpy-2.2.0 → moleditpy-2.2.0a0}/src/moleditpy/modules/main_window_main_init.py

@@ -32,7 +32,7 @@ except Exception:
 # PyQt6 Modules
 from PyQt6.QtWidgets import (
     QApplication, QWidget, QVBoxLayout, QHBoxLayout,
-    QPushButton, QSplitter, QToolBar, QSizePolicy, QLabel, QToolButton, QMenu, QMessageBox, QFileDialog
+    QPushButton, QSplitter, QToolBar, QSizePolicy, QLabel, QToolButton, QMenu, QMessageBox
 )
 
 from PyQt6.QtGui import (
@@ -1755,32 +1755,10 @@ class MainWindowMainInit(object):
         """Discovers plugins and updates the plugin menu actions."""
         if not self.plugin_manager:
             return
-        
-        PLUGIN_ACTION_TAG = "plugin_managed"
-
-        # Helper to clear tagged actions from a menu
-        def clear_plugin_actions(menu):
-            if not menu: return
-            for act in list(menu.actions()):
-                if act.data() == PLUGIN_ACTION_TAG:
-                    menu.removeAction(act)
-                # Recurse into submenus to clean deep actions
-                elif act.menu():
-                    clear_plugin_actions(act.menu())
 
-        # Clear existing plugin actions from main Plugin menu
+        # Clear existing plugin actions
         plugin_menu.clear()
         
-        # Clear tagged actions from ALL top-level menus in the Menu Bar
-        # This ensures we catch actions added to standard menus (File, Edit) OR custom menus
-        for top_action in self.menuBar().actions():
-            if top_action.menu():
-                 clear_plugin_actions(top_action.menu())
-            
-        # Clear Export menu (if button exists)
-        if hasattr(self, 'export_button') and self.export_button.menu():
-            clear_plugin_actions(self.export_button.menu())
-
         # Only keep the Manager action
         manage_plugins_action = QAction("Plugin Manager...", self)
         def show_plugin_manager():
@@ -1836,9 +1814,9 @@ class MainWindowMainInit(object):
                  action_text = text if text else parts[-1]
                  action = QAction(action_text, self)
                  action.triggered.connect(callback)
-                 action.setData(PLUGIN_ACTION_TAG) # TAG THE ACTION
                  current_menu.addAction(action)
 
+        # 2. Add Toolbar Buttons (New System)
         # 2. Add Toolbar Buttons (New System)
         # Use dedicated plugin toolbar
         if hasattr(self, 'plugin_toolbar'):
@@ -1862,12 +1840,14 @@ class MainWindowMainInit(object):
                  self.plugin_toolbar.hide()
 
         # 3. Legacy Menu Building (Folder based)
+        
         if not plugins:
             no_plugin_action = QAction("(No plugins found)", self)
             no_plugin_action.setEnabled(False)
             plugin_menu.addAction(no_plugin_action)
         else:
             # Sort plugins: directories first (to create menus), then alphabetical by name
+            # Actually simple sort by rel_folder, name is fine
             plugins.sort(key=lambda x: (x.get('rel_folder', ''), x['name']))
             
             # Dictionary to keep track of created submenus: path -> QMenu
@@ -1875,6 +1855,7 @@ class MainWindowMainInit(object):
 
             for p in plugins:
                 # Only add legacy plugins (with 'run' function) to the generic Plugins menu.
+                # New plugins (with 'initialize') should register their own menu actions if needed.
                 if hasattr(p['module'], 'run'):
                     rel_folder = p.get('rel_folder', '')
                     # Get or create the parent menu for this plugin
@@ -1901,83 +1882,114 @@ class MainWindowMainInit(object):
                     parent_menu.addAction(action)
 
         # 4. Integrate Export Actions into Export Button and Menu
-        # 4. Integrate Export Actions into Export Button AND Main File->Export Menu
         if self.plugin_manager.export_actions:
-            # Find Main File -> Export menu
-            main_export_menu = None
-            for top_action in self.menuBar().actions():
-                if top_action.text().replace('&', '') == 'File' and top_action.menu():
-                    for sub_action in top_action.menu().actions():
-                         if sub_action.text().replace('&', '') == 'Export' and sub_action.menu():
-                             main_export_menu = sub_action.menu()
-                             break
-                if main_export_menu: break
-
-            # List of menus to populate
-            target_menus = []
+            # Add separator if we have custom exports (and haven't added it yet for this session/update)
+            # Since update_plugin_menu clears the dynamic plugin actions but NOT the export menu (which is on a button),
+            # we need to be careful not to duplicate.
+            # Ideally, we should clear custom actions from the export menu first.
+            # For simplicity, we'll just check existence.
+            
             if hasattr(self, 'export_button') and self.export_button.menu():
-                target_menus.append(self.export_button.menu())
-            if main_export_menu:
-                target_menus.append(main_export_menu)
-
-            for menu in target_menus:
-                 # Add separator 
-                 sep = menu.addSeparator()
-                 sep.setData(PLUGIN_ACTION_TAG)
-                 
-                 for exp in self.plugin_manager.export_actions:
-                     label = exp['label']
-                     callback = exp['callback']
-                     
-                     a = QAction(label, self)
-                     a.triggered.connect(callback)
-                     a.setData(PLUGIN_ACTION_TAG)
-                     menu.addAction(a)
+                # Naive approach: check if separator/actions exist. 
+                # Better approach: Add them to a specific section or manage them explicitly.
+                # Here we just append if not present.
+                
+                # Check if we need a separator (if we have built-in actions)
+                if self.export_button.menu().actions():
+                     has_sep = False
+                     for a in self.export_button.menu().actions():
+                         if a.isSeparator():
+                             has_sep = True
+                # Get or create the parent menu for this plugin
+                # For folder based hierarchy only?
+                # ... (Refer to existing code for menu building, skipped here for brevity)
+                pass
 
         # 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)
-             
+             # Add a separator if plugins are present
+             has_plugins = len(self.plugin_manager.file_openers) > 0
+             if has_plugins:
+                 self.import_menu.addSeparator()
+                 
              for ext, info in self.plugin_manager.file_openers.items():
+                 # ext e.g. .xyz
+                 # info = {'plugin': name, 'callback': cb}
                  label = f"Import {ext} ({info.get('plugin', 'Plugin')})..."
                  
-                 def make_cb(callback):
-                     def _cb():
-                         fpath, _ = QFileDialog.getOpenFileName(
-                             self, f"Import {ext}", "", 
-                             f"{info.get('plugin', 'Plugin')} File (*{ext});;All Files (*)"
-                         )
-                         if fpath:
-                             callback(fpath)
-                             self.current_file_path = fpath 
-                             self.update_window_title()
-                     return _cb
-
-                 a = QAction(label, self)
-                 a.triggered.connect(make_cb(info['callback']))
-                 a.setData(PLUGIN_ACTION_TAG)
-                 self.import_menu.addAction(a)
+                 # duplicate check
+                 exists = False
+                 for act in self.import_menu.actions():
+                     if act.text() == label:
+                         exists = True
+                         break
+                 
+                 if not exists:
+                     def make_cb(callback):
+                         def _cb():
+                             # Standard file dialog to pick file, then callback
+                             fpath, _ = QFileDialog.getOpenFileName(
+                                 self, f"Import {ext}", "", 
+                                 f"{info.get('plugin', 'Plugin')} File (*{ext});;All Files (*)"
+                             )
+                             if fpath:
+                                 callback(fpath)
+                                 self.current_file_path = fpath # Update current file path?
+                                 self.update_window_title()
+                         return _cb
+
+                     a = QAction(label, self)
+                     a.triggered.connect(make_cb(info['callback']))
+                     self.import_menu.addAction(a)
     
         # 6. Integrate Analysis Tools into Analysis Menu
-        # Find Analysis menu again as it might not be defined if cleanup block was generic
-        analysis_menu = None
-        for action in self.menuBar().actions():
-             if action.text().replace('&', '') == 'Analysis':
-                 analysis_menu = action.menu()
-                 break
-
-        if analysis_menu and self.plugin_manager.analysis_tools:
-             # Add separator
-             sep = analysis_menu.addSeparator()
-             sep.setData(PLUGIN_ACTION_TAG)
+        if hasattr(self, 'analysis_action') and self.plugin_manager.analysis_tools:
+             # Determine parent menu (Analysis)
+             # self.analysis_action is just an action, we need the menu it belongs to? 
+             # Or did we stash the analysis_menu?
+             # Looking at init, analysis_menu wasn't stored as self.analysis_menu, but we can find it via menuBar.
              
-             for tool in self.plugin_manager.analysis_tools:
-                 label = f"{tool['label']} ({tool.get('plugin', 'Plugin')})"
-                 
-                 a = QAction(label, self)
-                 a.triggered.connect(tool['callback'])
-                 a.setData(PLUGIN_ACTION_TAG)
-                 analysis_menu.addAction(a)
+             # Let's find "Analysis" menu
+             analysis_menu = None
+             for action in self.menuBar().actions():
+                 if action.text().replace('&', '') == 'Analysis':
+                     analysis_menu = action.menu()
+                     break
+            
+             if analysis_menu:
+                 # Add separator if we have plugins
+                 if self.plugin_manager.analysis_tools:
+                     analysis_menu.addSeparator()
+                     
+                 for tool in self.plugin_manager.analysis_tools:
+                     label = f"{tool['label']} ({tool.get('plugin', 'Plugin')})"
+                     # duplicate check
+                     exists = False
+                     for act in analysis_menu.actions():
+                         if act.text() == label:
+                             exists = True
+                             break
+                     if not exists:
+                         a = QAction(label, self)
+                         a.triggered.connect(tool['callback'])
+                         analysis_menu.addAction(a)
+
+        # 7. Integrate Export Actions (Continued)
+        if self.plugin_manager.export_actions:
+            for exp in self.plugin_manager.export_actions:
+                label = exp['label']
+                callback = exp['callback']
+                
+                exists = False
+                for act in self.export_button.menu().actions():
+                    if act.text() == label:
+                        exists = True
+                        break
+                
+                if not exists:
+                    a = QAction(label, self)
+                    a.triggered.connect(callback)
+                    self.export_button.menu().addAction(a)
+
+        # 5. Integrate File Openers (Implicitly handled during file load) uses PluginManager directly
 

{moleditpy-2.2.0 → moleditpy-2.2.0a0}/src/moleditpy/modules/main_window_ui_manager.py

@@ -298,7 +298,7 @@ class MainWindowUiManager(object):
 
 
     def dragEnterEvent(self, event):
-        """ウィンドウ全体でサポートされているファイルのドラッグを受け入れる"""
+        """ウィンドウ全体で .pmeraw、.pmeprj、.mol、.sdf、.xyz ファイルのドラッグを受け入れる"""
         # Accept if any dragged local file has a supported extension
         if event.mimeData().hasUrls():
             urls = event.mimeData().urls()
@@ -306,28 +306,9 @@ class MainWindowUiManager(object):
                 try:
                     if url.isLocalFile():
                         file_path = url.toLocalFile()
-                        file_lower = file_path.lower()
-                        
-                        # Built-in extensions
-                        if file_lower.endswith(('.pmeraw', '.pmeprj', '.mol', '.sdf', '.xyz')):
+                        if file_path.lower().endswith(('.pmeraw', '.pmeprj', '.mol', '.sdf', '.xyz')):
                             event.acceptProposedAction()
                             return
-                        
-                        # Plugin-registered file openers
-                        if self.plugin_manager and hasattr(self.plugin_manager, 'file_openers'):
-                            for ext in self.plugin_manager.file_openers.keys():
-                                if file_lower.endswith(ext):
-                                    event.acceptProposedAction()
-                                    return
-                        
-                        # Plugin drop handlers (accept more liberally for custom logic)
-                        # A plugin drop handler might handle it, so accept
-                        if self.plugin_manager and hasattr(self.plugin_manager, 'drop_handlers'):
-                            if len(self.plugin_manager.drop_handlers) > 0:
-                                # Accept any file if drop handlers are registered
-                                # They will check the file type in dropEvent
-                                event.acceptProposedAction()
-                                return
                 except Exception:
                     continue
         event.ignore()

{moleditpy-2.2.0 → moleditpy-2.2.0a0}/src/moleditpy/modules/plugin_interface.py

@@ -159,7 +159,16 @@ class PluginContext:
         self._manager.register_3d_style(self._plugin_name, style_name, callback)
 
 
-
+    def add_panel_button(self, text: str, callback: Callable, panel: str = "right"):
+        """
+        Add a button to the bottom control panel.
+        
+        Args:
+            text: Label on the button.
+            callback: Function to call on click.
+            panel: "left" (2D Editor) or "right" (3D Viewer). Default "right".
+        """
+        self._manager.register_panel_button(self._plugin_name, text, callback, panel)
 
 
 

{moleditpy-2.2.0 → moleditpy-2.2.0a0}/src/moleditpy/modules/plugin_manager.py

@@ -40,6 +40,7 @@ class PluginManager:
         # Registries for actions
         self.menu_actions = [] # List of (plugin_name, path, callback, text, icon, shortcut)
         self.toolbar_actions = [] 
+        self.context_menu_3d_actions = []
         self.drop_handlers = [] # List of (priority, plugin_name, callback)
         
         # Extended Registries (Added to prevent lazy initialization "monkey patching")
@@ -48,6 +49,7 @@ class PluginManager:
         self.file_openers = {}
         self.analysis_tools = []
         self.save_handlers = {}
+        self.save_handlers = {}
         self.load_handlers = {}
         self.custom_3d_styles = {} # style_name -> {'plugin': name, 'callback': func}
 
@@ -98,15 +100,6 @@ class PluginManager:
         self.toolbar_actions = []
         self.drop_handlers = []
         
-        # Clear extended registries
-        self.export_actions = [] 
-        self.optimization_methods = {}
-        self.file_openers = {}
-        self.analysis_tools = []
-        self.save_handlers = {}
-        self.load_handlers = {}
-        self.custom_3d_styles = {}
-        
         if not os.path.exists(self.plugin_dir):
             return []