MoleditPy-linux 2.2.1__tar.gz → 2.2.3__tar.gz

{moleditpy_linux-2.2.1 → moleditpy_linux-2.2.3}/PKG-INFO

@@ -1,6 +1,6 @@
 Metadata-Version: 2.4
 Name: MoleditPy-linux
-Version: 2.2.1
+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-2.2.1 → moleditpy_linux-2.2.3}/pyproject.toml

@@ -5,7 +5,7 @@ build-backend = "setuptools.build_meta"
 [project]
 name = "MoleditPy-linux"
 
-version = "2.2.1"
+version = "2.2.3"
 
 license = {file = "LICENSE"}
 

{moleditpy_linux-2.2.1 → moleditpy_linux-2.2.3}/src/MoleditPy_linux.egg-info/PKG-INFO

@@ -1,6 +1,6 @@
 Metadata-Version: 2.4
 Name: MoleditPy-linux
-Version: 2.2.1
+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-2.2.1 → moleditpy_linux-2.2.3}/src/moleditpy_linux/modules/constants.py

@@ -16,7 +16,7 @@ from PyQt6.QtGui import QFont, QColor
 from rdkit import Chem
 
 #Version
-VERSION = '2.2.1'
+VERSION = '2.2.3'
 
 ATOM_RADIUS = 18
 BOND_OFFSET = 3.5

{moleditpy_linux-2.2.1 → moleditpy_linux-2.2.3}/src/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-2.2.1 → moleditpy_linux-2.2.3}/src/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-2.2.1 → moleditpy_linux-2.2.3}/src/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-2.2.1 → moleditpy_linux-2.2.3}/src/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-2.2.1 → moleditpy_linux-2.2.3}/src/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-2.2.1 → moleditpy_linux-2.2.3}/src/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-2.2.1 → moleditpy_linux-2.2.3}/src/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-2.2.1 → moleditpy_linux-2.2.3}/src/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-2.2.1 → moleditpy_linux-2.2.3}/src/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-2.2.1 → moleditpy_linux-2.2.3}/src/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-2.2.1 → moleditpy_linux-2.2.3}/src/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-2.2.1 → moleditpy_linux-2.2.3}/src/moleditpy_linux/modules/plugin_manager_window.py

@@ -85,7 +85,9 @@ class PluginManagerWindow(QDialog):
         
         self.table.setRowCount(len(plugins))
         for row, p in enumerate(plugins):
-            self.table.setItem(row, 0, QTableWidgetItem(str(p.get('status', 'Unknown'))))
+            status_item = QTableWidgetItem(str(p.get('status', 'Unknown')))
+            status_item.setTextAlignment(Qt.AlignmentFlag.AlignCenter)
+            self.table.setItem(row, 0, status_item)
             self.table.setItem(row, 1, QTableWidgetItem(str(p.get('name', 'Unknown'))))
             self.table.setItem(row, 2, QTableWidgetItem(str(p.get('version', ''))))
             self.table.setItem(row, 3, QTableWidgetItem(str(p.get('author', ''))))
@@ -108,7 +110,7 @@ class PluginManagerWindow(QDialog):
             if status.startswith("Error"):
                 color = Qt.GlobalColor.red
             elif status == "Loaded":
-                color = Qt.GlobalColor.green
+                color = Qt.GlobalColor.darkGreen
             elif status == "No Entry Point":
                 color = Qt.GlobalColor.gray
             
@@ -120,7 +122,7 @@ class PluginManagerWindow(QDialog):
         if hasattr(self, 'btn_remove'):
             self.btn_remove.setEnabled(has_selection)
 
-    def on_reload(self):
+    def on_reload(self, silent=False):
         # Trigger reload in main manager
         if self.plugin_manager.main_window:
             self.plugin_manager.discover_plugins(self.plugin_manager.main_window)
@@ -132,7 +134,8 @@ class PluginManagerWindow(QDialog):
             # We will handle UI rebuild in the main window code by observing or callback.
             
             # For immediate feedback:
-            QMessageBox.information(self, "Reloaded", "Plugins have been reloaded.")
+            if not silent:
+                QMessageBox.information(self, "Reloaded", "Plugins have been reloaded.")
         else:
             self.plugin_manager.discover_plugins()
             self.refresh_plugin_list()
@@ -155,7 +158,7 @@ class PluginManagerWindow(QDialog):
                if reply == QMessageBox.StandardButton.Yes:
                    try:
                        os.remove(filepath)
-                       self.on_reload() # Reload list and plugins
+                       self.on_reload(silent=True) # Reload list and plugins
                        QMessageBox.information(self, "Success", f"Removed '{plugin.get('name', 'Unknown')}'.")
                    except Exception as e:
                        QMessageBox.critical(self, "Error", f"Failed to delete file: {e}")