MoleditPy-linux 2.2.2__py3-none-any.whl → 2.2.3__py3-none-any.whl

moleditpy_linux/modules/constants.py

@@ -16,7 +16,7 @@ from PyQt6.QtGui import QFont, QColor
 from rdkit import Chem
 
 #Version
-VERSION = '2.2.2'
+VERSION = '2.2.3'
 
 ATOM_RADIUS = 18
 BOND_OFFSET = 3.5

moleditpy_linux/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_linux/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_linux/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_linux/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_linux/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_linux/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

moleditpy_linux/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_linux/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_linux/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_linux/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_linux/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:

{moleditpy_linux-2.2.2.dist-info → moleditpy_linux-2.2.3.dist-info}/METADATA

@@ -1,6 +1,6 @@
 Metadata-Version: 2.4
 Name: MoleditPy-linux
-Version: 2.2.2
+Version: 2.2.3
 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_linux-2.2.2.dist-info → moleditpy_linux-2.2.3.dist-info}/RECORD

@@ -12,7 +12,7 @@ moleditpy_linux/modules/bond_item.py,sha256=eVkEeKvM4igYI67DYxpey3FllqDyt_iWDo4V
 moleditpy_linux/modules/bond_length_dialog.py,sha256=k5x_DhK9Q8CSwouKhEo_kLRRdaYHDaK84KDNmuDNLvY,14868
 moleditpy_linux/modules/calculation_worker.py,sha256=KiGQY7i-QCQofEoE0r65KoQgpEGFcbhmxWv6egfkUdc,42324
 moleditpy_linux/modules/color_settings_dialog.py,sha256=Ow44BhCOLo0AFb6klO001k6B4drOgKX9DeNBQhZLp5o,15474
-moleditpy_linux/modules/constants.py,sha256=BOJs1z3G-LIv4gISS5iChuE5PYejKhF758P6hxTUwd0,4702
+moleditpy_linux/modules/constants.py,sha256=6ZL8sYwh2Ll3nnexffllLRdcfjDIeYvgNrGPjmnvv0o,4702
 moleditpy_linux/modules/constrained_optimization_dialog.py,sha256=IEdNVhFoNSEMeA5ABpUH9Q88-YzDXFloQM2gwnPwnHY,30150
 moleditpy_linux/modules/custom_interactor_style.py,sha256=NjsXE2a43IDNEanZBlcG9eR4ZIERT1MsQC6lbfesapQ,38453
 moleditpy_linux/modules/custom_qt_interactor.py,sha256=MFaTuDh-FPeFBS4303CqxsxmsOIOW4QXUz6USwI8PHQ,2451
@@ -20,18 +20,18 @@ moleditpy_linux/modules/dialog3_d_picking_mixin.py,sha256=2Sut0J5ltXMtrUJ9R3o1oZ
 moleditpy_linux/modules/dihedral_dialog.py,sha256=rgry7LqyX9JMAR7d82QSroTPoKT3xz18EgKN1GzYZx4,18088
 moleditpy_linux/modules/main_window.py,sha256=IL8dH3qPx2TkPgO7amuDgjlFoadh5J59xYUEVhlNZqA,36338
 moleditpy_linux/modules/main_window_app_state.py,sha256=DmBfzurTftUIkPZu8465YnxL8Hdx2vHYSbyWdB-kvjs,34757
-moleditpy_linux/modules/main_window_compute.py,sha256=4ODU4PGG5AYn-agNxWIHErDoYXTgWwNPXEbMZEi6mVc,53440
-moleditpy_linux/modules/main_window_dialog_manager.py,sha256=S1ROCWqzB2uVSKHY4o5CbTtJAEjSyEXGPC1AgmdVgK4,20065
-moleditpy_linux/modules/main_window_edit_3d.py,sha256=uY203adPg3CLyAdbG2NCThG2Am0WduzPDan9rXAlc14,19841
-moleditpy_linux/modules/main_window_edit_actions.py,sha256=lUFxNFTUQzeXN8CNlb4_4S9j4M1EEq8kpJmh9dCzM3M,64818
-moleditpy_linux/modules/main_window_export.py,sha256=e0HA_jeaokIOBunQqGxUn5QKdniCmE8GrsE1Igy6zm8,38351
-moleditpy_linux/modules/main_window_main_init.py,sha256=YKUoKEFzg7YBeaLCUFdoxfsfg1pR7sfVC8J4-_S_8Aw,89317
-moleditpy_linux/modules/main_window_molecular_parsers.py,sha256=Ex4-urYsKf6PyHp4XToOhgXzuYWa_n7q--QmHci4OCU,48401
-moleditpy_linux/modules/main_window_project_io.py,sha256=q1vEmWQDqla32HVkmk8-j0OY9ut5TI5NJ4ikahewkEo,17259
-moleditpy_linux/modules/main_window_string_importers.py,sha256=mQVDv2Dj4MwnPgMRe2IqdAAKnB_quE6QfYeAgCjfv28,10892
+moleditpy_linux/modules/main_window_compute.py,sha256=ipIkhH_DONXDnPzh7xeym9X-Yfx8EhsvXYOdyxsAj4c,53347
+moleditpy_linux/modules/main_window_dialog_manager.py,sha256=9ZVy5-dlk8SjGU5R6NtbaVZuBQfVK5Nwrc633pEzjq8,19955
+moleditpy_linux/modules/main_window_edit_3d.py,sha256=CUArB5wcsgq1C7LygAEC6URlbnn4RhRYDa5n-Y-etWI,19731
+moleditpy_linux/modules/main_window_edit_actions.py,sha256=-SDLoMQ7S-3u3eBUb-w7BU7OAsFkhQ9ZBjF3Y2jGgZc,64708
+moleditpy_linux/modules/main_window_export.py,sha256=dSVfylsybDDboDuXU9Inotf6YkrKJwgBTqGYSfq1lRE,38241
+moleditpy_linux/modules/main_window_main_init.py,sha256=Yr7TbPgpqVIImZE0BznCLDxsLufQj-QXQGQd6x0kopk,89281
+moleditpy_linux/modules/main_window_molecular_parsers.py,sha256=KR6vzuqc3nutOcorpYr0QOyX3MFBcxTwDhZX96VgJ9Q,48291
+moleditpy_linux/modules/main_window_project_io.py,sha256=TWwtuKDuvgcvPZ9IGmW8r1EJJOrgxrIJRnxe_f4C1oM,17149
+moleditpy_linux/modules/main_window_string_importers.py,sha256=v47wOd4RtjKYcF-aLP-mogGGdYTpTEo3dDyAu79_5MM,10782
 moleditpy_linux/modules/main_window_ui_manager.py,sha256=HofI6T9EvcSSzPbsdPqkYEEDoB6Hui1Uj2Ll-wwczGA,24016
-moleditpy_linux/modules/main_window_view_3d.py,sha256=TKRerktpCTYxX9HU-dSOnIhx4OyZaVrRYj4pEOUXmGc,74088
-moleditpy_linux/modules/main_window_view_loaders.py,sha256=Dbdgv4TY_ZkX8Qyaevwr-mBJYJ59CBzRTEks-U1FiGw,14462
+moleditpy_linux/modules/main_window_view_3d.py,sha256=6eN3_NdpNJrCzMSp17t9_Omm71MwfgqDC8A5DSYHhUo,73942
+moleditpy_linux/modules/main_window_view_loaders.py,sha256=gklTMo27QnyJ8Gd0ampPdbm9d0Gi-oHWkIqQuGADHmI,14352
 moleditpy_linux/modules/mirror_dialog.py,sha256=c3v4qY6R4FAljzk4EPaDjL9ZdZMjLQSFLqDMXz2fBUk,4696
 moleditpy_linux/modules/molecular_data.py,sha256=8gE9ByYg3kSBfb1zANsyad_BVBTm6WOLF7NsZIYuG2E,13250
 moleditpy_linux/modules/molecule_scene.py,sha256=khdt7h9Mk_D1cMbYeHGtq7P9aFXo0xG-hcShU_H2Y-Q,95911
@@ -50,9 +50,9 @@ moleditpy_linux/modules/zoomable_view.py,sha256=hjwljui13QpvjvxJHY4Evot4jMQvxRBQ
 moleditpy_linux/modules/assets/icon.icns,sha256=wD5R6-Vw7K662tVKhu2E1ImN0oUuyAP4youesEQsn9c,139863
 moleditpy_linux/modules/assets/icon.ico,sha256=RfgFcx7-dHY_2STdsOQCQziY5SNhDr3gPnjO6jzEDPI,147975
 moleditpy_linux/modules/assets/icon.png,sha256=kCFN1WacYIdy0GN6SFEbNA00ef39pCczBnFdkkBI8Bs,147110
-moleditpy_linux-2.2.2.dist-info/licenses/LICENSE,sha256=OXLcl0T2SZ8Pmy2_dmlvKuetivmyPd5m1q-Gyd-zaYY,35149
-moleditpy_linux-2.2.2.dist-info/METADATA,sha256=v19IXti7L3d9b887UdZAUDSqTQKzZ2LACZn_HahbP8s,59354
-moleditpy_linux-2.2.2.dist-info/WHEEL,sha256=_zCd3N1l69ArxyTb8rzEoP9TpbYXkqRFSNOD5OuxnTs,91
-moleditpy_linux-2.2.2.dist-info/entry_points.txt,sha256=-OzipSi__yVwlimNtu3eiRP5t5UMg55Cs0udyhXYiyw,60
-moleditpy_linux-2.2.2.dist-info/top_level.txt,sha256=qyqe-hDYL6CXyin9E5Me5rVl3PG84VqiOjf9bQvfJLs,16
-moleditpy_linux-2.2.2.dist-info/RECORD,,
+moleditpy_linux-2.2.3.dist-info/licenses/LICENSE,sha256=OXLcl0T2SZ8Pmy2_dmlvKuetivmyPd5m1q-Gyd-zaYY,35149
+moleditpy_linux-2.2.3.dist-info/METADATA,sha256=B6URTOi5mBguOYLg5424CTJFamlB02S4Gct2HEJRv1g,59354
+moleditpy_linux-2.2.3.dist-info/WHEEL,sha256=_zCd3N1l69ArxyTb8rzEoP9TpbYXkqRFSNOD5OuxnTs,91
+moleditpy_linux-2.2.3.dist-info/entry_points.txt,sha256=-OzipSi__yVwlimNtu3eiRP5t5UMg55Cs0udyhXYiyw,60
+moleditpy_linux-2.2.3.dist-info/top_level.txt,sha256=qyqe-hDYL6CXyin9E5Me5rVl3PG84VqiOjf9bQvfJLs,16
+moleditpy_linux-2.2.3.dist-info/RECORD,,