MoleditPy 2.2.0a1__tar.gz → 2.2.0a3__tar.gz

{moleditpy-2.2.0a1 → moleditpy-2.2.0a3}/PKG-INFO

@@ -1,6 +1,6 @@
 Metadata-Version: 2.4
 Name: MoleditPy
-Version: 2.2.0a1
+Version: 2.2.0a3
 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-2.2.0a1 → moleditpy-2.2.0a3}/pyproject.toml

@@ -5,7 +5,7 @@ build-backend = "setuptools.build_meta"
 [project]
 name = "MoleditPy"
 
-version = "2.2.0a1"
+version = "2.2.0a3"
 
 license = {file = "LICENSE"}
 

{moleditpy-2.2.0a1 → moleditpy-2.2.0a3}/src/MoleditPy.egg-info/PKG-INFO

@@ -1,6 +1,6 @@
 Metadata-Version: 2.4
 Name: MoleditPy
-Version: 2.2.0a1
+Version: 2.2.0a3
 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-2.2.0a1 → moleditpy-2.2.0a3}/src/MoleditPy.egg-info/SOURCES.txt

@@ -64,21 +64,4 @@ src/moleditpy/modules/user_template_dialog.py
 src/moleditpy/modules/zoomable_view.py
 src/moleditpy/modules/assets/icon.icns
 src/moleditpy/modules/assets/icon.ico
-src/moleditpy/modules/assets/icon.png
-src/moleditpy/plugins/Analysis/ms_spectrum_neo.py
-src/moleditpy/plugins/File/animated_xyz_giffer.py
-src/moleditpy/plugins/File/cube_viewer.py
-src/moleditpy/plugins/File/gaussian_fchk_freq_analyzer.py
-src/moleditpy/plugins/File/mapped_cube_viewer.py
-src/moleditpy/plugins/File/orca_out_freq_analyzer.py
-src/moleditpy/plugins/File/paste_xyz.py
-src/moleditpy/plugins/Input Generator/gaussian_input_generator_neo.py
-src/moleditpy/plugins/Input Generator/orca_input_generator_neo.py
-src/moleditpy/plugins/Input Generator/orca_xyz2inp_gui.py
-src/moleditpy/plugins/Optimization/all-trans_optimizer.py
-src/moleditpy/plugins/Optimization/complex_molecule_untangler.py
-src/moleditpy/plugins/Optimization/conf_search.py
-src/moleditpy/plugins/Utility/atom_colorizer.py
-src/moleditpy/plugins/Utility/console.py
-src/moleditpy/plugins/Utility/pubchem_ressolver.py
-src/moleditpy/plugins/Utility/vdw_radii_overlay.py
+src/moleditpy/modules/assets/icon.png

{moleditpy-2.2.0a1 → moleditpy-2.2.0a3}/src/moleditpy/modules/constants.py

@@ -16,7 +16,7 @@ from PyQt6.QtGui import QFont, QColor
 from rdkit import Chem
 
 #Version
-VERSION = '2.2.0a1'
+VERSION = '2.2.0a3'
 
 ATOM_RADIUS = 18
 BOND_OFFSET = 3.5

{moleditpy-2.2.0a1 → moleditpy-2.2.0a3}/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
+    QPushButton, QSplitter, QToolBar, QSizePolicy, QLabel, QToolButton, QMenu, QMessageBox, QFileDialog
 )
 
 from PyQt6.QtGui import (
@@ -1901,20 +1901,38 @@ 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 = []
             if hasattr(self, 'export_button') and self.export_button.menu():
-                # Add separator 
-                sep = self.export_button.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)
-                    self.export_button.menu().addAction(a)
+                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)
 
         # 5. Integrate File Openers into Import Menu
         if hasattr(self, 'import_menu') and self.plugin_manager.file_openers:

{moleditpy-2.2.0a1 → moleditpy-2.2.0a3}/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 .pmeraw、.pmeprj、.mol、.sdf、.xyz ファイルのドラッグを受け入れる"""
+        """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"""
         # Accept if any dragged local file has a supported extension
         if event.mimeData().hasUrls():
             urls = event.mimeData().urls()
@@ -306,9 +306,28 @@ class MainWindowUiManager(object):
                 try:
                     if url.isLocalFile():
                         file_path = url.toLocalFile()
-                        if file_path.lower().endswith(('.pmeraw', '.pmeprj', '.mol', '.sdf', '.xyz')):
+                        file_lower = file_path.lower()
+                        
+                        # Built-in extensions
+                        if file_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-2.2.0a1 → moleditpy-2.2.0a3}/src/moleditpy/modules/plugin_interface.py

@@ -159,16 +159,7 @@ 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-2.2.0a1 → moleditpy-2.2.0a3}/src/moleditpy/modules/plugin_manager.py

@@ -40,7 +40,6 @@ 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")
@@ -49,7 +48,6 @@ 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}
 
@@ -98,7 +96,6 @@ class PluginManager:
         self.plugins = []
         self.menu_actions = []
         self.toolbar_actions = []
-        self.context_menu_3d_actions = []
         self.drop_handlers = []
         
         # Clear extended registries