MoleditPy-linux 3.5.2__tar.gz → 3.6.1__tar.gz

{moleditpy_linux-3.5.2 → moleditpy_linux-3.6.1}/PKG-INFO

@@ -1,6 +1,6 @@
 Metadata-Version: 2.4
 Name: MoleditPy-linux
-Version: 3.5.2
+Version: 3.6.1
 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
@@ -804,7 +804,7 @@ For detailed instructions, please refer to the project [Wiki](https://github.com
     After installation, run this command to create the shortcut in your application menu (e.g., Start Menu or Applications folder).
 
     ```bash
-    moleditpy-installer
+    python -m moleditpy_installer
     ```
 
 #### Running the Application
@@ -937,7 +937,7 @@ Yokoyama, H. (2026). MoleditPy — A Python-based molecular editing software. Ze
     インストール後、このコマンドを実行すると、アプリケーションメニュー（スタートメニューやアプリケーションフォルダなど）にショートカットが作成されます。
 
     ```bash
-    moleditpy-installer
+    python -m moleditpy_installer
     ```
 
 #### アプリケーションの起動

{moleditpy_linux-3.5.2 → moleditpy_linux-3.6.1}/README.md

@@ -101,7 +101,7 @@ For detailed instructions, please refer to the project [Wiki](https://github.com
     After installation, run this command to create the shortcut in your application menu (e.g., Start Menu or Applications folder).
 
     ```bash
-    moleditpy-installer
+    python -m moleditpy_installer
     ```
 
 #### Running the Application
@@ -234,7 +234,7 @@ Yokoyama, H. (2026). MoleditPy — A Python-based molecular editing software. Ze
     インストール後、このコマンドを実行すると、アプリケーションメニュー（スタートメニューやアプリケーションフォルダなど）にショートカットが作成されます。
 
     ```bash
-    moleditpy-installer
+    python -m moleditpy_installer
     ```
 
 #### アプリケーションの起動

{moleditpy_linux-3.5.2 → moleditpy_linux-3.6.1}/pyproject.toml

@@ -5,7 +5,7 @@ build-backend = "setuptools.build_meta"
 [project]
 name = "MoleditPy-linux"
 
-version = "3.5.2"
+version = "3.6.1"
 
 license = {file = "LICENSE"}
 

{moleditpy_linux-3.5.2 → moleditpy_linux-3.6.1}/src/MoleditPy_linux.egg-info/PKG-INFO

@@ -1,6 +1,6 @@
 Metadata-Version: 2.4
 Name: MoleditPy-linux
-Version: 3.5.2
+Version: 3.6.1
 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
@@ -804,7 +804,7 @@ For detailed instructions, please refer to the project [Wiki](https://github.com
     After installation, run this command to create the shortcut in your application menu (e.g., Start Menu or Applications folder).
 
     ```bash
-    moleditpy-installer
+    python -m moleditpy_installer
     ```
 
 #### Running the Application
@@ -937,7 +937,7 @@ Yokoyama, H. (2026). MoleditPy — A Python-based molecular editing software. Ze
     インストール後、このコマンドを実行すると、アプリケーションメニュー（スタートメニューやアプリケーションフォルダなど）にショートカットが作成されます。
 
     ```bash
-    moleditpy-installer
+    python -m moleditpy_installer
     ```
 
 #### アプリケーションの起動

{moleditpy_linux-3.5.2 → moleditpy_linux-3.6.1}/src/MoleditPy_linux.egg-info/SOURCES.txt

@@ -53,6 +53,7 @@ src/moleditpy_linux/ui/mirror_dialog.py
 src/moleditpy_linux/ui/molecular_scene_handler.py
 src/moleditpy_linux/ui/molecule_scene.py
 src/moleditpy_linux/ui/move_group_dialog.py
+src/moleditpy_linux/ui/move_selected_atoms_dialog.py
 src/moleditpy_linux/ui/periodic_table_dialog.py
 src/moleditpy_linux/ui/planarize_dialog.py
 src/moleditpy_linux/ui/settings_dialog.py

{moleditpy_linux-3.5.2 → moleditpy_linux-3.6.1}/src/moleditpy_linux/__init__.py

@@ -8,15 +8,14 @@ Author: Hiromichi Yokoyama
 License: GPL-3.0 license
 Repo: https://github.com/HiroYokoyama/python_molecular_editor
 DOI: 10.5281/zenodo.17268532
-"""
 
-"""Top-level package for moleditpy_linux."""
+Top-level package for moleditpy_linux.
+"""
 
 import importlib.util
+from .utils.constants import VERSION as __version__  # noqa: F401
 
 try:
     OBABEL_AVAILABLE = False
 except ImportError:
     OBABEL_AVAILABLE = False
-
-from .utils.constants import VERSION as __version__  # noqa: F401

{moleditpy_linux-3.5.2 → moleditpy_linux-3.6.1}/src/moleditpy_linux/main.py

@@ -148,4 +148,14 @@ def main() -> None:
     app = QApplication([sys.argv[0]] + remaining)
     window = MainWindow(initial_file=args.file, safe_mode=args.safe)
     window.show()
+
+    # Force Windows to refresh taskbar/titlebar icon after event loop starts
+    if sys.platform == "win32":
+        try:
+            from PyQt6.QtCore import QTimer
+
+            QTimer.singleShot(100, lambda: window.setWindowIcon(window.windowIcon()))
+        except Exception:
+            pass
+
     sys.exit(app.exec())

moleditpy_linux-3.6.1/src/moleditpy_linux/ui/atom_picking.py

@@ -0,0 +1,310 @@
+#!/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
+"""
+
+from __future__ import annotations
+
+from typing import Any, Optional
+import logging
+
+import numpy as np
+
+try:
+    from ..utils.constants import VDW_RADII, pt
+except ImportError:
+    from moleditpy_linux.utils.constants import VDW_RADII, pt
+
+
+def _world_to_display(renderer: Any, pos: Any) -> Optional[tuple[float, float, float]]:
+    try:
+        renderer.SetWorldPoint(float(pos[0]), float(pos[1]), float(pos[2]), 1.0)
+        renderer.WorldToDisplay()
+        display = renderer.GetDisplayPoint()
+        return (float(display[0]), float(display[1]), float(display[2]))
+    except (AttributeError, RuntimeError, TypeError, ValueError, IndexError):
+        return None
+
+
+def _atom_world_radius(view_3d_manager: Any, mol: Any, atom_idx: int) -> float:
+    try:
+        atom = mol.GetAtomWithIdx(int(atom_idx))
+        symbol = atom.GetSymbol()
+    except (AttributeError, RuntimeError, TypeError, ValueError):
+        symbol = "C"
+
+    settings = {}
+    try:
+        settings = view_3d_manager.host.init_manager.settings
+    except (AttributeError, RuntimeError, TypeError):
+        pass
+
+    style = str(getattr(view_3d_manager, "current_3d_style", "ball_and_stick"))
+    style = style.lower().replace(" ", "_")
+
+    if style == "cpk":
+        scale = settings.get("cpk_atom_scale", 1.0)
+        try:
+            radius = pt.GetRvdw(pt.GetAtomicNumber(symbol))
+            return float(radius if radius > 0.1 else 1.5) * float(scale)
+        except (AttributeError, RuntimeError, TypeError, ValueError):
+            return 1.5 * float(scale)
+
+    if style == "stick":
+        return float(settings.get("stick_bond_radius", 0.15))
+
+    if style == "wireframe":
+        return 0.01
+
+    scale = settings.get("ball_stick_atom_scale", 1.0)
+    return float(VDW_RADII.get(symbol, 0.4)) * float(scale)
+
+
+def _projected_radius_px(
+    renderer: Any, center: Any, world_radius: float
+) -> Optional[float]:
+    center_display = _world_to_display(renderer, center)
+    if center_display is None:
+        return None
+
+    offsets = (
+        (world_radius, 0.0, 0.0),
+        (0.0, world_radius, 0.0),
+        (0.0, 0.0, world_radius),
+    )
+    radius_px = 0.0
+    for offset in offsets:
+        edge = (
+            float(center[0]) + offset[0],
+            float(center[1]) + offset[1],
+            float(center[2]) + offset[2],
+        )
+        edge_display = _world_to_display(renderer, edge)
+        if edge_display is None:
+            continue
+        radius_px = max(
+            radius_px,
+            float(
+                np.hypot(
+                    edge_display[0] - center_display[0],
+                    edge_display[1] - center_display[1],
+                )
+            ),
+        )
+
+    return radius_px
+
+
+def pick_atom_index_from_screen_sequential(
+    view_3d_manager: Any,
+    click_pos: tuple[int, int],
+    mol: Optional[Any] = None,
+    padding_px: float = 8.0,
+    min_radius_px: float = 14.0,
+    max_radius_px: float = 96.0,
+) -> Optional[int]:
+    """Return the atom nearest a screen click without invoking VTK cell picking."""
+    try:
+        plotter = view_3d_manager.plotter
+        renderer = plotter.renderer
+        positions = view_3d_manager.atom_positions_3d
+    except (AttributeError, RuntimeError, TypeError):
+        return None
+
+    if positions is None:
+        return None
+
+    try:
+        positions_array = np.asarray(positions, dtype=float)
+    except (TypeError, ValueError):
+        return None
+
+    if positions_array.ndim != 2 or positions_array.shape[1] < 3:
+        return None
+
+    if mol is None:
+        mol = getattr(view_3d_manager, "current_mol", None)
+
+    try:
+        atom_count = int(mol.GetNumAtoms()) if mol is not None else len(positions_array)
+    except (AttributeError, RuntimeError, TypeError, ValueError):
+        atom_count = len(positions_array)
+
+    best_idx: Optional[int] = None
+    best_score: Optional[tuple[float, float]] = None
+
+    for atom_idx in range(min(atom_count, len(positions_array))):
+        center = positions_array[atom_idx]
+        display = _world_to_display(renderer, center)
+        if display is None or not np.all(np.isfinite(display[:2])):
+            continue
+
+        world_radius = _atom_world_radius(view_3d_manager, mol, atom_idx)
+        projected_radius = _projected_radius_px(renderer, center, world_radius)
+        hit_radius = max(
+            float(min_radius_px),
+            min(float(max_radius_px), float(projected_radius or 0.0) + padding_px),
+        )
+        distance = float(np.hypot(display[0] - click_pos[0], display[1] - click_pos[1]))
+        if distance > hit_radius:
+            continue
+
+        score = (distance / hit_radius, distance)
+        if best_score is None or score < best_score:
+            best_idx = atom_idx
+            best_score = score
+
+    return best_idx
+
+
+def pick_atom_index_from_screen_vectorized(
+    view_3d_manager: Any,
+    click_pos: tuple[int, int],
+    mol: Optional[Any] = None,
+    padding_px: float = 8.0,
+    min_radius_px: float = 14.0,
+    max_radius_px: float = 96.0,
+) -> Optional[int]:
+    """
+    Vectorized atom picking using the camera's projection matrix.
+    Eliminates the O(N) Python loop and VTK C++ boundary calls.
+    """
+    try:
+        plotter = view_3d_manager.plotter
+        renderer = plotter.renderer
+        positions = view_3d_manager.atom_positions_3d
+    except (AttributeError, RuntimeError, TypeError):
+        return None
+
+    if positions is None or len(positions) == 0:
+        return None
+
+    try:
+        positions_array = np.asarray(positions, dtype=float)  # Shape: (N, 3)
+    except (TypeError, ValueError):
+        return None
+
+    if positions_array.ndim != 2 or positions_array.shape[1] < 3:
+        return None
+
+    if mol is None:
+        mol = getattr(view_3d_manager, "current_mol", None)
+
+    try:
+        atom_count = int(mol.GetNumAtoms()) if mol is not None else len(positions_array)
+    except (AttributeError, RuntimeError, TypeError, ValueError):
+        atom_count = len(positions_array)
+
+    active_atoms = min(atom_count, len(positions_array))
+    if active_atoms == 0:
+        return None
+
+    positions_array = positions_array[:active_atoms]
+
+    # 1. Retrieve the View-Projection (Composite) Matrix from the active camera
+    try:
+        camera = renderer.GetActiveCamera()
+        aspect_ratio = renderer.GetTiledAspectRatio()
+        # Get the 4x4 composite projection matrix (vtkMatrix4x4)
+        vtk_matrix = camera.GetCompositeProjectionTransformMatrix(aspect_ratio, -1, 1)
+
+        # Convert vtkMatrix4x4 to a NumPy 4x4 array
+        matrix = np.zeros((4, 4))
+        for i in range(4):
+            for j in range(4):
+                matrix[i, j] = vtk_matrix.GetElement(i, j)
+    except Exception:
+        return None
+
+    # 2. Convert all N world coordinates to homogeneous coordinates (N, 4)
+    homogeneous_coords = np.hstack([positions_array, np.ones((active_atoms, 1))])
+
+    # 3. Apply Matrix Multiplication: (N, 4) x (4, 4).T -> Clip Space Coordinates
+    clip_coords = homogeneous_coords @ matrix.T
+
+    # 4. Perform Perspective Divide -> Normalized Device Coordinates (NDC)
+    w = clip_coords[:, 3:4]
+    w_copy = np.copy(w)
+    w_copy[np.abs(w_copy) < 1e-5] = 1.0
+    ndc_coords = clip_coords[:, :3] / w_copy
+
+    # 5. Transform NDC to Screen/Display Coordinates
+    try:
+        size = renderer.GetSize()  # (width, height)
+    except Exception:
+        return None
+
+    # VTK display space coordinates: X: [0, W], Y: [0, H]
+    display_coords = np.zeros((active_atoms, 2))
+    display_coords[:, 0] = (ndc_coords[:, 0] + 1.0) * 0.5 * size[0]
+    display_coords[:, 1] = (ndc_coords[:, 1] + 1.0) * 0.5 * size[1]
+
+    # 6. Vectorized Distance and Hit Radius Calculation
+    dx = display_coords[:, 0] - click_pos[0]
+    dy = display_coords[:, 1] - click_pos[1]
+    distances = np.hypot(dx, dy)
+
+    try:
+        if camera.GetParallelProjection():
+            pixel_scale = size[1] / (2.0 * camera.GetParallelScale())
+        else:
+            view_angle_rad = np.radians(camera.GetViewAngle())
+            pixel_scale = size[1] / (
+                2.0 * np.abs(w.flatten()) * np.tan(view_angle_rad / 2.0)
+            )
+    except Exception:
+        pixel_scale = 20.0  # Safe fallback scale
+
+    # Pre-calculate world radii for all atoms
+    world_radii = np.array(
+        [_atom_world_radius(view_3d_manager, mol, idx) for idx in range(active_atoms)]
+    )
+
+    projected_radii = world_radii * pixel_scale
+    hit_radii = np.maximum(
+        min_radius_px, np.minimum(max_radius_px, projected_radii + padding_px)
+    )
+
+    # 7. Mask out atoms that are further than their hit radius
+    valid_mask = distances <= hit_radii
+    if not np.any(valid_mask):
+        return None
+
+    # 8. Score calculation and find the best index
+    # Tie-breaking logic: (ratio) + (distances * 1e-8)
+    scores = (distances / hit_radii) + (distances * 1e-8)
+
+    scores[~valid_mask] = np.inf
+    best_idx = int(np.argmin(scores))
+
+    return best_idx if scores[best_idx] != np.inf else None
+
+
+def pick_atom_index_from_screen(
+    view_3d_manager: Any,
+    click_pos: tuple[int, int],
+    mol: Optional[Any] = None,
+    padding_px: float = 8.0,
+    min_radius_px: float = 14.0,
+    max_radius_px: float = 96.0,
+) -> Optional[int]:
+    """Return the atom nearest a screen click, trying vectorized first, falling back to sequential."""
+    try:
+        best_idx = pick_atom_index_from_screen_vectorized(
+            view_3d_manager, click_pos, mol, padding_px, min_radius_px, max_radius_px
+        )
+        if best_idx is not None:
+            return best_idx
+    except Exception as e:
+        logging.debug("Vectorized picking failed, falling back to sequential: %s", e)
+
+    return pick_atom_index_from_screen_sequential(
+        view_3d_manager, click_pos, mol, padding_px, min_radius_px, max_radius_px
+    )

{moleditpy_linux-3.5.2 → moleditpy_linux-3.6.1}/src/moleditpy_linux/ui/constrained_optimization_dialog.py

@@ -877,6 +877,3 @@ class ConstrainedOptimizationDialog(Dialog3DPickingMixin, QDialog):
 
         # Default processing for other keys
         QDialog.keyPressEvent(self, event)
-
-
-from typing import Any

{moleditpy_linux-3.5.2 → moleditpy_linux-3.6.1}/src/moleditpy_linux/ui/custom_interactor_style.py

@@ -22,10 +22,8 @@ from vtkmodules.vtkInteractionStyle import vtkInteractorStyleTrackballCamera  #
 
 
 try:
-    from .move_group_dialog import MoveGroupDialog
     from .atom_picking import pick_atom_index_from_screen
 except ImportError:
-    from moleditpy_linux.ui.move_group_dialog import MoveGroupDialog
     from moleditpy_linux.ui.atom_picking import pick_atom_index_from_screen
 
 from rdkit import Geometry
@@ -107,10 +105,15 @@ class CustomInteractorStyle(vtkInteractorStyleTrackballCamera):
         self._mouse_press_pos = None
 
         # Check Move Group dialog
+        # Check Move Group or Move Selected Atoms dialog
         move_group_dialog = None
         for widget in QApplication.topLevelWidgets():
             try:
-                if isinstance(widget, MoveGroupDialog) and widget.isVisible():
+                if (
+                    type(widget).__name__
+                    in ("MoveGroupDialog", "MoveSelectedAtomsDialog")
+                    and widget.isVisible()
+                ):
                     move_group_dialog = widget
                     break
             except (AttributeError, RuntimeError, TypeError):
@@ -147,6 +150,20 @@ class CustomInteractorStyle(vtkInteractorStyleTrackballCamera):
                     self._suppress_next_left_button_up = True
                     return  # Disable camera rotation
                 else:
+                    if type(move_group_dialog).__name__ == "MoveSelectedAtomsDialog":
+                        # For MoveSelectedAtomsDialog, we toggle ONLY the clicked atom, no BFS!
+                        def _deferred_toggle(
+                            idx=clicked_atom_idx, dlg=move_group_dialog
+                        ):
+                            try:
+                                dlg.on_atom_picked(idx)
+                            except (AttributeError, RuntimeError):
+                                pass
+
+                        QTimer.singleShot(0, _deferred_toggle)
+                        self._suppress_next_left_button_up = True
+                        return
+
                     # Clicked outside group - Search connected component
                     visited = set()
                     queue = [clicked_atom_idx]
@@ -172,8 +189,14 @@ class CustomInteractorStyle(vtkInteractorStyleTrackballCamera):
 
                     # Multi-selection with Ctrl
                     is_ctrl_pressed = bool(
-                        QApplication.keyboardModifiers()
-                        & Qt.KeyboardModifier.ControlModifier
+                        (
+                            QApplication.keyboardModifiers()
+                            & Qt.KeyboardModifier.ControlModifier
+                        )
+                        or (
+                            self.GetInteractor()
+                            and self.GetInteractor().GetControlKey()
+                        )
                     )
 
                     if is_ctrl_pressed:
@@ -208,8 +231,10 @@ class CustomInteractorStyle(vtkInteractorStyleTrackballCamera):
                 super(CustomInteractorStyle, self).OnLeftButtonDown()
                 return
 
+        interactor = self.GetInteractor()
         is_temp_mode = bool(
-            QApplication.keyboardModifiers() & Qt.KeyboardModifier.AltModifier
+            (QApplication.keyboardModifiers() & Qt.KeyboardModifier.AltModifier)
+            or (interactor and interactor.GetAltKey())
         )
         is_edit_active = mw.edit_3d_manager.is_3d_edit_mode or is_temp_mode
 
@@ -293,11 +318,15 @@ class CustomInteractorStyle(vtkInteractorStyleTrackballCamera):
         """
         mw = self.main_window
 
-        # Check if Move Group dialog is open
+        # Check if Move Group dialog or Move Selected Atoms dialog is open
         move_group_dialog = None
         try:
             for widget in QApplication.topLevelWidgets():
-                if isinstance(widget, MoveGroupDialog) and widget.isVisible():
+                if (
+                    type(widget).__name__
+                    in ("MoveGroupDialog", "MoveSelectedAtomsDialog")
+                    and widget.isVisible()
+                ):
                     move_group_dialog = widget
                     break
         except (AttributeError, RuntimeError, TypeError) as e:
@@ -350,11 +379,15 @@ class CustomInteractorStyle(vtkInteractorStyleTrackballCamera):
         """
         mw = self.main_window
 
-        # Move Group drag handling
+        # Move Group / Selected Atoms drag handling
         move_group_dialog = None
         try:
             for widget in QApplication.topLevelWidgets():
-                if isinstance(widget, MoveGroupDialog) and widget.isVisible():
+                if (
+                    type(widget).__name__
+                    in ("MoveGroupDialog", "MoveSelectedAtomsDialog")
+                    and widget.isVisible()
+                ):
                     move_group_dialog = widget
                     break
         except (AttributeError, RuntimeError, TypeError):
@@ -372,7 +405,7 @@ class CustomInteractorStyle(vtkInteractorStyleTrackballCamera):
             dx = current_pos[0] - move_group_dialog._drag_start_pos[0]
             dy = current_pos[1] - move_group_dialog._drag_start_pos[1]
 
-            if abs(dx) > 2 or abs(dy) > 2:
+            if abs(dx) > 5 or abs(dy) > 5:
                 move_group_dialog._mouse_moved = True
 
             return  # Disable camera rotation
@@ -390,7 +423,7 @@ class CustomInteractorStyle(vtkInteractorStyleTrackballCamera):
             dx = current_pos[0] - move_group_dialog._rotation_start_pos[0]
             dy = current_pos[1] - move_group_dialog._rotation_start_pos[1]
 
-            if abs(dx) > 2 or abs(dy) > 2:
+            if abs(dx) > 5 or abs(dy) > 5:
                 move_group_dialog._rotation_mouse_moved = True
 
             return  # Disable camera rotation
@@ -442,11 +475,15 @@ class CustomInteractorStyle(vtkInteractorStyleTrackballCamera):
         """
         mw = self.main_window
 
-        # Finalize Move Group drag
+        # Finalize Move Group / Selected Atoms drag
         move_group_dialog = None
         try:
             for widget in QApplication.topLevelWidgets():
-                if isinstance(widget, MoveGroupDialog) and widget.isVisible():
+                if (
+                    type(widget).__name__
+                    in ("MoveGroupDialog", "MoveSelectedAtomsDialog")
+                    and widget.isVisible()
+                ):
                     move_group_dialog = widget
                     break
         except (AttributeError, RuntimeError, TypeError):
@@ -456,6 +493,13 @@ class CustomInteractorStyle(vtkInteractorStyleTrackballCamera):
             if getattr(
                 move_group_dialog, "_is_dragging_group_vtk", False
             ) and not getattr(move_group_dialog, "_mouse_moved", False):
+                # No drag = click only -> toggle
+                clicked_atom = getattr(move_group_dialog, "_drag_atom_idx", None)
+                if clicked_atom is not None:
+                    try:
+                        move_group_dialog.on_atom_picked(clicked_atom)
+                    except (AttributeError, RuntimeError, TypeError, ValueError) as e:
+                        logging.error(f"Error in toggle: {e}")
                 # Reset if multi-clicked without drag
                 move_group_dialog._is_dragging_group_vtk = False
                 move_group_dialog._drag_start_pos = None
@@ -749,11 +793,15 @@ class CustomInteractorStyle(vtkInteractorStyleTrackballCamera):
         """
         mw = self.main_window
 
-        # Finalize Move Group rotation
+        # Finalize Move Group / Selected Atoms rotation
         move_group_dialog = None
         try:
             for widget in QApplication.topLevelWidgets():
-                if isinstance(widget, MoveGroupDialog) and widget.isVisible():
+                if (
+                    type(widget).__name__
+                    in ("MoveGroupDialog", "MoveSelectedAtomsDialog")
+                    and widget.isVisible()
+                ):
                     move_group_dialog = widget
                     break
         except (AttributeError, RuntimeError, TypeError):