MoleditPy 2.8.3__tar.gz → 3.0.0a1__tar.gz

{moleditpy-2.8.3 → moleditpy-3.0.0a1}/PKG-INFO

@@ -1,6 +1,6 @@
 Metadata-Version: 2.4
 Name: MoleditPy
-Version: 2.8.3
+Version: 3.0.0a1
 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-2.8.3 → moleditpy-3.0.0a1}/pyproject.toml

@@ -5,7 +5,7 @@ build-backend = "setuptools.build_meta"
 [project]
 name = "MoleditPy"
 
-version = "2.8.3"
+version = "3.0.0a1"
 
 license = {file = "LICENSE"}
 

{moleditpy-2.8.3 → moleditpy-3.0.0a1}/src/MoleditPy.egg-info/PKG-INFO

@@ -1,6 +1,6 @@
 Metadata-Version: 2.4
 Name: MoleditPy
-Version: 2.8.3
+Version: 3.0.0a1
 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-2.8.3 → moleditpy-3.0.0a1}/src/MoleditPy.egg-info/SOURCES.txt

@@ -35,7 +35,7 @@ src/moleditpy/modules/constants.py
 src/moleditpy/modules/constrained_optimization_dialog.py
 src/moleditpy/modules/custom_interactor_style.py
 src/moleditpy/modules/custom_qt_interactor.py
-src/moleditpy/modules/dialog3_d_picking_mixin.py
+src/moleditpy/modules/dialog_3d_picking_mixin.py
 src/moleditpy/modules/dihedral_dialog.py
 src/moleditpy/modules/main_window.py
 src/moleditpy/modules/main_window_app_state.py
@@ -54,6 +54,7 @@ src/moleditpy/modules/main_window_view_loaders.py
 src/moleditpy/modules/mirror_dialog.py
 src/moleditpy/modules/mol_geometry.py
 src/moleditpy/modules/molecular_data.py
+src/moleditpy/modules/molecular_scene_handler.py
 src/moleditpy/modules/molecule_scene.py
 src/moleditpy/modules/move_group_dialog.py
 src/moleditpy/modules/periodic_table_dialog.py
@@ -63,6 +64,7 @@ src/moleditpy/modules/plugin_manager.py
 src/moleditpy/modules/plugin_manager_window.py
 src/moleditpy/modules/settings_dialog.py
 src/moleditpy/modules/sip_isdeleted_safe.py
+src/moleditpy/modules/system_utils.py
 src/moleditpy/modules/template_preview_item.py
 src/moleditpy/modules/template_preview_view.py
 src/moleditpy/modules/translation_dialog.py

{moleditpy-2.8.3 → moleditpy-3.0.0a1}/src/moleditpy/__main__.py

@@ -16,7 +16,7 @@ print("-----------------------------------------------------\n")
 
 try:
     from .main import main
-except Exception:
+except ImportError:
     from main import main
 
 # --- Application Execution ---

{moleditpy-2.8.3 → moleditpy-3.0.0a1}/src/moleditpy/main.py

@@ -17,14 +17,14 @@ from PyQt6.QtWidgets import QApplication
 
 try:
     from .modules.main_window import MainWindow
-except Exception:
+except ImportError:
     from modules.main_window import MainWindow
 
 
 def main():
-    # --- Windows タスクバーアイコンのための追加処理 ---
+    # --- Additional handling for Windows taskbar icon ---
     if sys.platform == "win32":
-        myappid = "hyoko.moleditpy.1.0"  # アプリケーション固有のID（任意）
+        myappid = "hyoko.moleditpy.1.0"  # Application-specific ID (arbitrary)
         ctypes.windll.shell32.SetCurrentProcessExplicitAppUserModelID(myappid)
 
     app = QApplication(sys.argv)

{moleditpy-2.8.3 → moleditpy-3.0.0a1}/src/moleditpy/modules/__init__.py

@@ -1,39 +1,39 @@
-#!/usr/bin/env python3
-# -*- coding: utf-8 -*-
-
-"""
-MoleditPy — A Python-based molecular editing software
-
-Author: Hiromichi Yokoyama
-License: GPL-3.0 license
-Repo: https://github.com/HiroYokoyama/python_molecular_editor
-DOI: 10.5281/zenodo.17268532
-"""
-
-try:
-    import importlib.util
-    OBABEL_AVAILABLE = importlib.util.find_spec("openbabel") is not None
-except Exception:
-    OBABEL_AVAILABLE = False
-
-try:
-    from PyQt6 import sip as _sip  # type: ignore
-    _sip_isdeleted = getattr(_sip, "isdeleted", None)
-except Exception:
-    _sip = None
-    _sip_isdeleted = None
-
-
-def sip_isdeleted_safe(obj) -> bool:
-    """Return True if sip reports the given wrapper object as deleted.
-
-    This function is conservative: if SIP isn't available or any error
-    occurs while checking, it returns False (i.e. not deleted) so that the
-    caller can continue other lightweight guards (like checking scene()).
-    """
-    try:
-        if _sip_isdeleted is None:
-            return False
-        return bool(_sip_isdeleted(obj))
-    except Exception:
-        return False
+#!/usr/bin/env python3
+# -*- coding: utf-8 -*-
+
+"""
+MoleditPy — A Python-based molecular editing software
+
+Author: Hiromichi Yokoyama
+License: GPL-3.0 license
+Repo: https://github.com/HiroYokoyama/python_molecular_editor
+DOI: 10.5281/zenodo.17268532
+"""
+
+try:
+    import importlib.util
+    OBABEL_AVAILABLE = importlib.util.find_spec("openbabel") is not None
+except ImportError:
+    OBABEL_AVAILABLE = False
+
+try:
+    from PyQt6 import sip as _sip  # type: ignore
+    _sip_isdeleted = getattr(_sip, "isdeleted", None)
+except ImportError:
+    _sip = None
+    _sip_isdeleted = None
+
+
+def sip_isdeleted_safe(obj) -> bool:
+    """Return True if sip reports the given wrapper object as deleted.
+
+    This function is conservative: if SIP isn't available or any error
+    occurs while checking, it returns False (i.e. not deleted) so that the
+    caller can continue other lightweight guards (like checking scene()).
+    """
+    try:
+        if _sip_isdeleted is None:
+            return False
+        return bool(_sip_isdeleted(obj))
+    except (AttributeError, RuntimeError, TypeError):
+        return False

{moleditpy-2.8.3 → moleditpy-3.0.0a1}/src/moleditpy/modules/about_dialog.py

@@ -1,112 +1,110 @@
-#!/usr/bin/env python3
-# -*- coding: utf-8 -*-
-
-"""
-MoleditPy — A Python-based molecular editing software
-
-Author: Hiromichi Yokoyama
-License: GPL-3.0 license
-Repo: https://github.com/HiroYokoyama/python_molecular_editor
-DOI: 10.5281/zenodo.17268532
-"""
-
-import os
-
-from PyQt6.QtCore import Qt
-from PyQt6.QtGui import QCursor, QPainter, QPen, QPixmap
-from PyQt6.QtWidgets import QDialog, QHBoxLayout, QLabel, QPushButton, QVBoxLayout
-
-try:
-    from .constants import VERSION
-except Exception:
-    from modules.constants import VERSION
-
-
-class AboutDialog(QDialog):  # pragma: no cover
-    def __init__(self, main_window, parent=None):
-        super().__init__(parent)
-        self.main_window = main_window
-        self.setWindowTitle("About MoleditPy")
-        self.setFixedSize(250, 300)
-        self.init_ui()
-
-    def init_ui(self):
-        layout = QVBoxLayout(self)
-
-        # Create a clickable image label
-        self.image_label = QLabel()
-        self.image_label.setAlignment(Qt.AlignmentFlag.AlignCenter)
-
-        # Load the original icon image
-        icon_path = os.path.join(os.path.dirname(__file__), "..", "assets", "icon.png")
-        if os.path.exists(icon_path):
-            original_pixmap = QPixmap(icon_path)
-            # Scale to 2x size (160x160)
-            pixmap = original_pixmap.scaled(
-                160,
-                160,
-                Qt.AspectRatioMode.KeepAspectRatio,
-                Qt.TransformationMode.SmoothTransformation,
-            )
-        else:
-            # Fallback: create a simple placeholder if icon.png not found
-            pixmap = QPixmap(160, 160)
-            pixmap.fill(Qt.GlobalColor.lightGray)
-            painter = QPainter(pixmap)
-            painter.setPen(QPen(Qt.GlobalColor.black, 2))
-            painter.drawText(pixmap.rect(), Qt.AlignmentFlag.AlignCenter, "MoleditPy")
-            painter.end()
-
-        self.image_label.setPixmap(pixmap)
-        try:
-            self.image_label.setCursor(QCursor(Qt.CursorShape.ArrowCursor))
-        except Exception:  # pragma: no cover
-            import traceback
-            traceback.print_exc()
-
-        self.image_label.mousePressEvent = self.image_mouse_press_event
-
-        layout.addWidget(self.image_label)
-
-        # Add text information
-        info_text = f"MoleditPy Ver. {VERSION}\nAuthor: Hiromichi Yokoyama\nLicense: GPL-3.0 license"
-        info_label = QLabel(info_text)
-        info_label.setAlignment(Qt.AlignmentFlag.AlignCenter)
-        layout.addWidget(info_label)
-
-        # Add OK button
-        ok_button = QPushButton("OK")
-        ok_button.setFixedSize(80, 30)  # 小さいサイズに固定
-        ok_button.clicked.connect(self.accept)
-
-        # Center the button
-        button_layout = QHBoxLayout()
-        button_layout.addStretch()
-        button_layout.addWidget(ok_button)
-        button_layout.addStretch()
-        layout.addLayout(button_layout)
-
-    def image_clicked(self, event):
-        """Easter egg: Clear all and load bipyrimidine from SMILES"""
-        # Clear the current scene
-        self.main_window.clear_all()
-
-        bipyrimidine_smiles = "C1=CN=C(N=C1)C2=NC=CC=N2"
-        self.main_window.load_from_smiles(bipyrimidine_smiles)
-
-        # Close the dialog
-        self.accept()
-
-    def image_mouse_press_event(self, event):
-        """Handle mouse press on the image: trigger easter egg only for right-click."""
-        try:
-            if event.button() == Qt.MouseButton.RightButton:
-                self.image_clicked(event)
-            else:
-                event.ignore()
-        except Exception:
-            try:
-                event.ignore()
-            except Exception:  # pragma: no cover
-                import traceback
-                traceback.print_exc()
+#!/usr/bin/env python3
+# -*- coding: utf-8 -*-
+
+"""
+MoleditPy — A Python-based molecular editing software
+
+Author: Hiromichi Yokoyama
+License: GPL-3.0 license
+Repo: https://github.com/HiroYokoyama/python_molecular_editor
+DOI: 10.5281/zenodo.17268532
+"""
+
+import os
+
+from PyQt6.QtCore import Qt
+from PyQt6.QtGui import QCursor, QPainter, QPen, QPixmap
+from PyQt6.QtWidgets import QDialog, QHBoxLayout, QLabel, QPushButton, QVBoxLayout
+
+try:
+    from .constants import VERSION
+except ImportError:
+    from modules.constants import VERSION
+
+
+class AboutDialog(QDialog):  
+    def __init__(self, main_window, parent=None):
+        super().__init__(parent)
+        self.main_window = main_window
+        self.setWindowTitle("About MoleditPy")
+        self.setFixedSize(250, 300)
+        self.init_ui()
+
+    def init_ui(self):
+        layout = QVBoxLayout(self)
+
+        # Create a clickable image label
+        self.image_label = QLabel()
+        self.image_label.setAlignment(Qt.AlignmentFlag.AlignCenter)
+
+        # Load the original icon image
+        icon_path = os.path.join(os.path.dirname(__file__), "..", "assets", "icon.png")
+        if os.path.exists(icon_path):
+            original_pixmap = QPixmap(icon_path)
+            # Scale to 2x size (160x160)
+            pixmap = original_pixmap.scaled(
+                160,
+                160,
+                Qt.AspectRatioMode.KeepAspectRatio,
+                Qt.TransformationMode.SmoothTransformation,
+            )
+        else:
+            # Fallback: create a simple placeholder if icon.png not found
+            pixmap = QPixmap(160, 160)
+            pixmap.fill(Qt.GlobalColor.lightGray)
+            painter = QPainter(pixmap)
+            painter.setPen(QPen(Qt.GlobalColor.black, 2))
+            painter.drawText(pixmap.rect(), Qt.AlignmentFlag.AlignCenter, "MoleditPy")
+            painter.end()
+
+        self.image_label.setPixmap(pixmap)
+        try:
+            self.image_label.setCursor(QCursor(Qt.CursorShape.ArrowCursor))
+        except (AttributeError, RuntimeError, ValueError, TypeError):  
+            pass  # Suppress cursor setting errors on about image
+
+        self.image_label.mousePressEvent = self.image_mouse_press_event
+
+        layout.addWidget(self.image_label)
+
+        # Add text information
+        info_text = f"MoleditPy Ver. {VERSION}\nAuthor: Hiromichi Yokoyama\nLicense: GPL-3.0 license"
+        info_label = QLabel(info_text)
+        info_label.setAlignment(Qt.AlignmentFlag.AlignCenter)
+        layout.addWidget(info_label)
+
+        # Add OK button
+        ok_button = QPushButton("OK")
+        ok_button.setFixedSize(80, 30)  # Fixed small size
+        ok_button.clicked.connect(self.accept)
+
+        # Center the button
+        button_layout = QHBoxLayout()
+        button_layout.addStretch()
+        button_layout.addWidget(ok_button)
+        button_layout.addStretch()
+        layout.addLayout(button_layout)
+
+    def image_clicked(self, event):
+        """Easter egg: Clear all and load bipyrimidine from SMILES"""
+        # Clear the current scene
+        self.main_window.clear_all()
+
+        bipyrimidine_smiles = "C1=CN=C(N=C1)C2=NC=CC=N2"
+        self.main_window.load_from_smiles(bipyrimidine_smiles)
+
+        # Close the dialog
+        self.accept()
+
+    def image_mouse_press_event(self, event):
+        """Handle mouse press on the image: trigger easter egg only for right-click."""
+        try:
+            if event.button() == Qt.MouseButton.RightButton:
+                self.image_clicked(event)
+            else:
+                event.ignore()
+        except (AttributeError, RuntimeError, ValueError, TypeError):
+            try:
+                event.ignore()
+            except (AttributeError, RuntimeError, ValueError, TypeError):  
+                pass  # Suppress nested event errors