MoleditPy-linux 2.4.1__tar.gz → 2.4.2__tar.gz

{moleditpy_linux-2.4.1 → moleditpy_linux-2.4.2}/PKG-INFO

@@ -1,6 +1,6 @@
 Metadata-Version: 2.4
 Name: MoleditPy-linux
-Version: 2.4.1
+Version: 2.4.2
 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-2.4.1 → moleditpy_linux-2.4.2}/pyproject.toml

@@ -5,7 +5,7 @@ build-backend = "setuptools.build_meta"
 [project]
 name = "MoleditPy-linux"
 
-version = "2.4.1"
+version = "2.4.2"
 
 license = {file = "LICENSE"}
 

{moleditpy_linux-2.4.1 → moleditpy_linux-2.4.2}/src/MoleditPy_linux.egg-info/PKG-INFO

@@ -1,6 +1,6 @@
 Metadata-Version: 2.4
 Name: MoleditPy-linux
-Version: 2.4.1
+Version: 2.4.2
 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-2.4.1 → moleditpy_linux-2.4.2}/src/moleditpy_linux/modules/constants.py

@@ -16,7 +16,7 @@ from PyQt6.QtGui import QFont, QColor
 from rdkit import Chem
 
 #Version
-VERSION = '2.4.1'
+VERSION = '2.4.2'
 
 ATOM_RADIUS = 18
 BOND_OFFSET = 3.5

{moleditpy_linux-2.4.1 → moleditpy_linux-2.4.2}/src/moleditpy_linux/modules/main_window.py

@@ -532,6 +532,10 @@ class MainWindow(QMainWindow):
         # --- MOVED TO main_window_edit_actions.py ---
         return self.main_window_edit_actions.open_rotate_2d_dialog()
 
+    def rotate_molecule_2d(self, angle_degrees):
+        # --- MOVED TO main_window_edit_actions.py ---
+        return self.main_window_edit_actions.rotate_molecule_2d(angle_degrees)
+
     def draw_molecule_3d(self, mol):
         # --- MOVED TO main_window_view_3d.py ---
         return self.main_window_view_3d.draw_molecule_3d(mol)

{moleditpy_linux-2.4.1 → moleditpy_linux-2.4.2}/src/moleditpy_linux/modules/main_window_edit_actions.py

@@ -618,18 +618,15 @@ class MainWindowEditActions(object):
             self.rotate_molecule_2d(angle)
 
     def rotate_molecule_2d(self, angle_degrees):
-        """2D分子を指定角度回転させる（選択範囲があればそれのみ、なければ全体）"""
+        """2D分子を指定角度回転させる（選択範囲があればそれのみ）"""
         try:
             # Determine target atoms
             selected_items = self.scene.selectedItems()
             target_atoms = [item for item in selected_items if isinstance(item, AtomItem)]
             
-            # If no selection, rotate everything
+            # If no selection, do not rotate
             if not target_atoms:
-                target_atoms = [data['item'] for data in self.data.atoms.values() if data.get('item') and not sip_isdeleted_safe(data['item'])]
-            
-            if not target_atoms:
-                self.statusBar().showMessage("No atoms to rotate.")
+                self.statusBar().showMessage("No atoms selected to rotate.")
                 return
 
             # Calculate Center
@@ -663,6 +660,8 @@ class MainWindowEditActions(object):
             self.push_undo_state()
             self.statusBar().showMessage(f"Rotated {len(target_atoms)} atoms by {angle_degrees} degrees.")
             self.scene.update()
+            # Force full redraw as requested
+            self.scene.update_all_items()
             
         except Exception as e:
             print(f"Error rotating molecule: {e}")

{moleditpy_linux-2.4.1 → moleditpy_linux-2.4.2}/src/moleditpy_linux/modules/molecule_scene.py

@@ -116,6 +116,20 @@ class MoleculeScene(QGraphicsScene):
         self.reinitialize_items()
 
     
+    def update_connected_bonds(self, atoms):
+        """指定された原子リストに接続する全ての結合の位置を更新する"""
+        bonds_to_update = set()
+        for atom in atoms:
+            if hasattr(atom, 'bonds'):
+                bonds_to_update.update(atom.bonds)
+        
+        for bond in bonds_to_update:
+            try:
+                if not sip_isdeleted_safe(bond):
+                    bond.update_position()
+            except Exception:
+                continue
+
     def update_all_items(self):
         """全てのアイテムを強制的に再描画する"""
         for item in self.items():