MoleditPy-linux 4.6.0__tar.gz → 4.6.1__tar.gz

{moleditpy_linux-4.6.0 → moleditpy_linux-4.6.1}/PKG-INFO

@@ -1,6 +1,6 @@
 Metadata-Version: 2.4
 Name: MoleditPy-linux
-Version: 4.6.0
+Version: 4.6.1
 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

{moleditpy_linux-4.6.0 → moleditpy_linux-4.6.1}/pyproject.toml

@@ -5,7 +5,7 @@ build-backend = "setuptools.build_meta"
 [project]
 name = "MoleditPy-linux"
 
-version = "4.6.0"
+version = "4.6.1"
 
 license = {file = "LICENSE"}
 

{moleditpy_linux-4.6.0 → moleditpy_linux-4.6.1}/src/MoleditPy_linux.egg-info/PKG-INFO

@@ -1,6 +1,6 @@
 Metadata-Version: 2.4
 Name: MoleditPy-linux
-Version: 4.6.0
+Version: 4.6.1
 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

{moleditpy_linux-4.6.0 → moleditpy_linux-4.6.1}/src/moleditpy_linux/ui/atom_item.py

@@ -34,7 +34,6 @@ from PyQt6.QtWidgets import (
 from ..utils.constants import (
     ATOM_RADIUS,
     CPK_COLORS,
-    DESIRED_ATOM_PIXEL_RADIUS,
     FONT_FAMILY,
     FONT_WEIGHT_BOLD,
 )
@@ -332,7 +331,13 @@ class AtomItem(QGraphicsItem):
         return path
 
     def shape(self) -> QPainterPath:
-        """Define the shape of the atom item for collision detection."""
+        """Define the shape of the atom item for collision detection.
+
+        The hit radius is derived from the ``bond_snapping_distance_2d``
+        setting so that hover highlight matches the snapping / keyboard
+        instant-switch zone exactly.  The radius is expressed in screen
+        pixels and divided by the current view scale.
+        """
         scene = self.scene()
         if not scene or not scene.views():
             path = QPainterPath()
@@ -342,8 +347,16 @@ class AtomItem(QGraphicsItem):
 
         view = scene.views()[0]
         scale = view.transform().m11()
+        if scale <= 0.0:
+            scale = 1.0
 
-        scene_radius = DESIRED_ATOM_PIXEL_RADIUS / scale
+        # Use the same setting that find_atom_near() uses for snapping,
+        # so hover highlight and snap zones are identical.
+        if hasattr(scene, "get_setting"):
+            hit_px = scene.get_setting("bond_snapping_distance_2d", 14.0)
+        else:
+            hit_px = 14.0
+        scene_radius = hit_px / scale
 
         path = QPainterPath()
         path.addEllipse(QPointF(0, 0), scene_radius, scene_radius)

{moleditpy_linux-4.6.0 → moleditpy_linux-4.6.1}/src/moleditpy_linux/ui/bond_item.py

@@ -36,7 +36,6 @@ from PyQt6.QtWidgets import (
 )
 
 from ..utils.constants import (
-    DESIRED_BOND_PIXEL_WIDTH,
     EZ_LABEL_BOX_SIZE,
     EZ_LABEL_MARGIN,
     EZ_LABEL_TEXT_OUTLINE,
@@ -293,10 +292,25 @@ class BondItem(QGraphicsItem):
             path.moveTo(line.p1())
             path.lineTo(line.p2())
 
-            # Stroke it to give it some width (e.g., 10px or dynamic based on settings) generally easier to click
-            # even if the visual width is smaller.
+            # Use the exact same setting as atom hover highlight and snapping, zoom-aware.
+            scene = self.scene()
+            if scene and scene.views():
+                view = scene.views()[0]
+                scale = view.transform().m11()
+                if scale <= 0.0:
+                    scale = 1.0
+                if hasattr(scene, "get_setting"):
+                    hit_px = scene.get_setting("bond_snapping_distance_2d", 14.0)
+                else:
+                    hit_px = 14.0
+                # width is diameter, so 2 * radius
+                scene_width = (hit_px * 2) / scale
+            else:
+                scene_width = 28.0
+
+            # Stroke it to give it some width
             stroker = QPainterPathStroker()
-            stroker.setWidth(DESIRED_BOND_PIXEL_WIDTH)  # Use constant (20.0)
+            stroker.setWidth(scene_width)
             path = stroker.createStroke(path)
 
             # If there's an E/Z label, add its rect to the selection shape

{moleditpy_linux-4.6.0 → moleditpy_linux-4.6.1}/src/moleditpy_linux/ui/molecular_scene_handler.py

@@ -856,7 +856,10 @@ class KeyboardMixin:
             return
 
         view = self.views()[0]
-        cursor_pos = view.mapToScene(view.mapFromGlobal(QCursor.pos()))
+        # mapToScene expects viewport coordinates. Mapping to the view widget directly
+        # includes the widget's frame margins, introducing a cursor offset that gets
+        # magnified when zooming.
+        cursor_pos = view.mapToScene(view.viewport().mapFromGlobal(QCursor.pos()))
         transform = view.transform()
         key = event.key()
         modifiers = event.modifiers()
@@ -1587,9 +1590,22 @@ class SceneQueryMixin:
             return False
 
     def find_atom_near(self, pos: Any, tol: float = 14.0) -> Any:
-        """Return the AtomItem within tolerance distance of pos, or None."""
+        """Return the AtomItem within tolerance distance of pos, or None.
+
+        ``tol`` is specified in **screen pixels**.  It is divided by the
+        current view scale so that the effective snap radius stays constant
+        on screen regardless of zoom level — matching the behaviour of
+        ``AtomItem.shape()`` (hover highlight).
+        """
         if pos is None:
             return None
+        # Convert screen-pixel tolerance to scene units (zoom-aware).
+        if self.views():
+            xform = self.views()[0].transform()
+            if xform is not None:
+                scale = xform.m11()
+                if scale > 0:
+                    tol = tol / scale
         # Create a small search rectangle around the position
         search_rect = QRectF(pos.x() - tol, pos.y() - tol, 2 * tol, 2 * tol)
         nearby_items = self.items(search_rect)

{moleditpy_linux-4.6.0 → moleditpy_linux-4.6.1}/src/moleditpy_linux/ui/molecule_scene.py

@@ -1002,8 +1002,8 @@ class MoleculeScene(
         # Find the active view for this scene
         for view in self.views():
             if view.isVisible():
-                # Map global cursor position to scene coordinates
-                local_pos = view.mapFromGlobal(global_pos)
+                # Map global cursor position to scene coordinates (via viewport)
+                local_pos = view.viewport().mapFromGlobal(global_pos)
                 scene_pos = view.mapToScene(local_pos)
 
                 # If the mouse is within the viewport, trigger the preview update

{moleditpy_linux-4.6.0 → moleditpy_linux-4.6.1}/src/moleditpy_linux/ui/settings_tabs/settings_2d_tab.py

@@ -198,7 +198,10 @@ class Settings2DTab(SettingsTabBase):
             self._create_slider(5, 50, 1.0, is_int=True)
         )
         self.bond_snapping_distance_2d_slider.setToolTip(
-            "The distance in pixels within which drawing a bond will snap to an existing atom."
+            "The distance in screen pixels (zoom-independent) within which:\n"
+            "• Drawing a bond snaps to an existing atom\n"
+            "• Keyboard shortcuts instantly edit the atom under cursor\n"
+            "• Atoms show hover highlight"
         )
         form_layout.addRow(
             "Bond Snapping Distance (px):",