MoleditPy 2.2.0a2__py3-none-any.whl → 2.2.0a3__py3-none-any.whl

moleditpy/modules/constants.py

@@ -16,7 +16,7 @@ from PyQt6.QtGui import QFont, QColor
 from rdkit import Chem
 
 #Version
-VERSION = '2.2.0a2'
+VERSION = '2.2.0a3'
 
 ATOM_RADIUS = 18
 BOND_OFFSET = 3.5

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/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/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

{moleditpy-2.2.0a2.dist-info → moleditpy-2.2.0a3.dist-info}/METADATA

@@ -1,6 +1,6 @@
 Metadata-Version: 2.4
 Name: MoleditPy
-Version: 2.2.0a2
+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-2.2.0a2.dist-info → moleditpy-2.2.0a3.dist-info}/RECORD

@@ -12,7 +12,7 @@ moleditpy/modules/bond_item.py,sha256=eVkEeKvM4igYI67DYxpey3FllqDyt_iWDo4VPYMhaP
 moleditpy/modules/bond_length_dialog.py,sha256=k5x_DhK9Q8CSwouKhEo_kLRRdaYHDaK84KDNmuDNLvY,14868
 moleditpy/modules/calculation_worker.py,sha256=KiGQY7i-QCQofEoE0r65KoQgpEGFcbhmxWv6egfkUdc,42324
 moleditpy/modules/color_settings_dialog.py,sha256=Ow44BhCOLo0AFb6klO001k6B4drOgKX9DeNBQhZLp5o,15474
-moleditpy/modules/constants.py,sha256=7m9mLA8eKnYh2PPXu5pXMtRndPdZVQdSej_WjMGpsrI,4704
+moleditpy/modules/constants.py,sha256=KNnQdr1hATDivMItO0ylf-0bSLTDmjrH6EBBQ53kkis,4704
 moleditpy/modules/constrained_optimization_dialog.py,sha256=IEdNVhFoNSEMeA5ABpUH9Q88-YzDXFloQM2gwnPwnHY,30150
 moleditpy/modules/custom_interactor_style.py,sha256=NjsXE2a43IDNEanZBlcG9eR4ZIERT1MsQC6lbfesapQ,38453
 moleditpy/modules/custom_qt_interactor.py,sha256=MFaTuDh-FPeFBS4303CqxsxmsOIOW4QXUz6USwI8PHQ,2451
@@ -25,7 +25,7 @@ moleditpy/modules/main_window_dialog_manager.py,sha256=S1ROCWqzB2uVSKHY4o5CbTtJA
 moleditpy/modules/main_window_edit_3d.py,sha256=uY203adPg3CLyAdbG2NCThG2Am0WduzPDan9rXAlc14,19841
 moleditpy/modules/main_window_edit_actions.py,sha256=lUFxNFTUQzeXN8CNlb4_4S9j4M1EEq8kpJmh9dCzM3M,64818
 moleditpy/modules/main_window_export.py,sha256=e0HA_jeaokIOBunQqGxUn5QKdniCmE8GrsE1Igy6zm8,38351
-moleditpy/modules/main_window_main_init.py,sha256=2MWBLY_u4UoSC4orjhDh1WcfR8FoWEnhR9ibUeA_fnE,88438
+moleditpy/modules/main_window_main_init.py,sha256=AZb2GZmvUYsVBhV2c54FEoWmFXRPkdSMlsshKraOGPs,89315
 moleditpy/modules/main_window_molecular_parsers.py,sha256=Ex4-urYsKf6PyHp4XToOhgXzuYWa_n7q--QmHci4OCU,48401
 moleditpy/modules/main_window_project_io.py,sha256=q1vEmWQDqla32HVkmk8-j0OY9ut5TI5NJ4ikahewkEo,17259
 moleditpy/modules/main_window_string_importers.py,sha256=mQVDv2Dj4MwnPgMRe2IqdAAKnB_quE6QfYeAgCjfv28,10892
@@ -38,8 +38,8 @@ moleditpy/modules/molecule_scene.py,sha256=khdt7h9Mk_D1cMbYeHGtq7P9aFXo0xG-hcShU
 moleditpy/modules/move_group_dialog.py,sha256=65HVXTJSaQ9lp03XFhI1l7OzUsXmH_aqd8OgwjpjfGg,27174
 moleditpy/modules/periodic_table_dialog.py,sha256=ItEZUts1XCietz9paY-spvbzxh6SXak3GnikwqkHZCw,4006
 moleditpy/modules/planarize_dialog.py,sha256=yY8o-SxT8vGEHVWnjDTXecRv5NUaEejEsXH-836Xk8g,8681
-moleditpy/modules/plugin_interface.py,sha256=54zMHkjf9TCyXyAqYeYvnG-R4mWhTaSZ8oIQt3lHqvQ,8082
-moleditpy/modules/plugin_manager.py,sha256=ghIKOBsWlTmzsQJXtncH9nyfQJUF_dwBOKrU4iBlNo0,13576
+moleditpy/modules/plugin_interface.py,sha256=W6Hw1OLqMkcg8XU-S347v2sDBMEoo6iiCSbmL6MjZrA,7639
+moleditpy/modules/plugin_manager.py,sha256=cxbqIE7Rb_KeBd-cG1vF2ySY2qNx8IJVRXjVPyQMFDc,13457
 moleditpy/modules/plugin_manager_window.py,sha256=m2lJ-UltwoXQ2SYA1im6Q0v-5SfqWL2HcOBCTzUmiBw,9963
 moleditpy/modules/settings_dialog.py,sha256=Nr7yE8UmYRi3VObWvRlrnv0DnjSjmYXbvqryZ02O12k,65348
 moleditpy/modules/template_preview_item.py,sha256=djdq3tz73d_fJGOvai3E-V9Hk9q9ZW7skx7BV59mooA,6556
@@ -50,26 +50,9 @@ moleditpy/modules/zoomable_view.py,sha256=hjwljui13QpvjvxJHY4Evot4jMQvxRBQUNH5HU
 moleditpy/modules/assets/icon.icns,sha256=wD5R6-Vw7K662tVKhu2E1ImN0oUuyAP4youesEQsn9c,139863
 moleditpy/modules/assets/icon.ico,sha256=RfgFcx7-dHY_2STdsOQCQziY5SNhDr3gPnjO6jzEDPI,147975
 moleditpy/modules/assets/icon.png,sha256=kCFN1WacYIdy0GN6SFEbNA00ef39pCczBnFdkkBI8Bs,147110
-moleditpy/plugins/Analysis/ms_spectrum_neo.py,sha256=dmTh48f9to2efOX0-jpQXSQVq7OoKpA_r0U6SScFAV8,35533
-moleditpy/plugins/File/animated_xyz_giffer.py,sha256=yCCgl9Gladki7eNJ6j-82dx8SloB6zwuzNvEHRTp2lo,20716
-moleditpy/plugins/File/cube_viewer.py,sha256=_An7KX89FIxbCF7WJbbNiZXKZPfC55NCfT7Y-7suxx8,24836
-moleditpy/plugins/File/gaussian_fchk_freq_analyzer.py,sha256=tBQs8xQYIPWab26G2tpadoW4rqYcDSuXaR4a3HaFATs,45152
-moleditpy/plugins/File/mapped_cube_viewer.py,sha256=tO1hbjXG2xp0pRXmwVBNCO0c0HUu1HU7zIFJ4S7buls,19557
-moleditpy/plugins/File/orca_out_freq_analyzer.py,sha256=6opjTpcK3B2XUIPk8fpOKlZ_IjaBCNZAREYOO3OJsuk,48219
-moleditpy/plugins/File/paste_xyz.py,sha256=kV-_CMmXLcqMIyFNRAeiwsOECPE64GCizT3hDCNfaXk,15112
-moleditpy/plugins/Input Generator/gaussian_input_generator_neo.py,sha256=3EXzxcxmJmgxVF9F-jFOPYJksubUdxZxvmNoUx7DTW4,37769
-moleditpy/plugins/Input Generator/orca_input_generator_neo.py,sha256=vqMpwJ9NaUw2SLcSqgIhWpdUaaJjnBvWHc4S0vtA7FI,40013
-moleditpy/plugins/Input Generator/orca_xyz2inp_gui.py,sha256=6d6v_UC9s-2bJihGqCX3usIplw-lOUVq96kEBf32S3g,11045
-moleditpy/plugins/Optimization/all-trans_optimizer.py,sha256=_7zAnYIRShPquIOFUf8_5N1o0g7iIXKFmcD0Eey8Lac,2532
-moleditpy/plugins/Optimization/complex_molecule_untangler.py,sha256=kGJ1nIWdLCcSxmKJOHLhTW4SAQSrESMkKsILeDqKbhA,10837
-moleditpy/plugins/Optimization/conf_search.py,sha256=equ6W02Yf2DAYSj1jSNeVrQSYPPpdlNrPDt3lm_Bek8,9110
-moleditpy/plugins/Utility/atom_colorizer.py,sha256=BUO-EkIeWwkGE6DtOuXgw0QkDABet_YfNXfpPZFWBlQ,9936
-moleditpy/plugins/Utility/console.py,sha256=4_WgDiEHhalDFOLJGmYNRa1odzxdtg46qr9DUz_ht4I,5943
-moleditpy/plugins/Utility/pubchem_ressolver.py,sha256=w1Zfm_2LTDhuU6uYKQSSaGpyU36-14kvDssc0L8hsDc,10048
-moleditpy/plugins/Utility/vdw_radii_overlay.py,sha256=C7cD82AiJIeaQk12gKjIt0oneJny2fDRAbw-t01vpEg,16533
-moleditpy-2.2.0a2.dist-info/licenses/LICENSE,sha256=OXLcl0T2SZ8Pmy2_dmlvKuetivmyPd5m1q-Gyd-zaYY,35149
-moleditpy-2.2.0a2.dist-info/METADATA,sha256=0pjsuxHg7SWfSJWfdNf-0zi2R5j4fbG0s8KSPYWeE3s,59277
-moleditpy-2.2.0a2.dist-info/WHEEL,sha256=_zCd3N1l69ArxyTb8rzEoP9TpbYXkqRFSNOD5OuxnTs,91
-moleditpy-2.2.0a2.dist-info/entry_points.txt,sha256=yH1h9JjALhok1foXT3-hYrC4ufoZt8b7oiBcsdnGNNM,54
-moleditpy-2.2.0a2.dist-info/top_level.txt,sha256=ARICrS4ihlPXqywlKl6o-oJa3Qz3gZRWu_VZsQ3_c44,10
-moleditpy-2.2.0a2.dist-info/RECORD,,
+moleditpy-2.2.0a3.dist-info/licenses/LICENSE,sha256=OXLcl0T2SZ8Pmy2_dmlvKuetivmyPd5m1q-Gyd-zaYY,35149
+moleditpy-2.2.0a3.dist-info/METADATA,sha256=7GT1-GCaoevIBcSCUeQoXqwxNQRMlldgIVXHg9zOg3c,59277
+moleditpy-2.2.0a3.dist-info/WHEEL,sha256=_zCd3N1l69ArxyTb8rzEoP9TpbYXkqRFSNOD5OuxnTs,91
+moleditpy-2.2.0a3.dist-info/entry_points.txt,sha256=yH1h9JjALhok1foXT3-hYrC4ufoZt8b7oiBcsdnGNNM,54
+moleditpy-2.2.0a3.dist-info/top_level.txt,sha256=ARICrS4ihlPXqywlKl6o-oJa3Qz3gZRWu_VZsQ3_c44,10
+moleditpy-2.2.0a3.dist-info/RECORD,,