MoleditPy 3.0.6__tar.gz → 3.1.0__tar.gz

{moleditpy-3.0.6 → moleditpy-3.1.0}/PKG-INFO

@@ -1,6 +1,6 @@
 Metadata-Version: 2.4
 Name: MoleditPy
-Version: 3.0.6
+Version: 3.1.0
 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-3.0.6 → moleditpy-3.1.0}/pyproject.toml

@@ -5,7 +5,7 @@ build-backend = "setuptools.build_meta"
 [project]
 name = "MoleditPy"
 
-version = "3.0.6"
+version = "3.1.0"
 
 license = {file = "LICENSE"}
 

{moleditpy-3.0.6 → moleditpy-3.1.0}/src/MoleditPy.egg-info/PKG-INFO

@@ -1,6 +1,6 @@
 Metadata-Version: 2.4
 Name: MoleditPy
-Version: 3.0.6
+Version: 3.1.0
 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-3.0.6 → moleditpy-3.1.0}/src/moleditpy/ui/app_state.py

@@ -364,9 +364,9 @@ class StateManager:
             # 'Save As' if not PMEPRJ
             file_path = self.host.init_manager.current_file_path
             if not file_path or not file_path.lower().endswith(".pmeprj"):
-                self.save_project_as()
+                self.host.io_manager.save_project_as()
             else:
-                self.save_project()
+                self.host.io_manager.save_project()
             return (
                 not self.host.state_manager.has_unsaved_changes
             )  # Return True only if save was successful

{moleditpy-3.0.6 → moleditpy-3.1.0}/src/moleditpy/ui/dialog_logic.py

@@ -200,10 +200,6 @@ class DialogManager:
             with open(filepath, "w", encoding="utf-8") as f:
                 json.dump(template_data, f, indent=2, ensure_ascii=False)
 
-            # Mark as saved (no unsaved changes for this operation)
-            self.host.state_manager.has_unsaved_changes = False
-            self.host.state_manager.update_window_title()
-
             QMessageBox.information(
                 self.host, "Success", f"Template '{name}' saved successfully."
             )

{moleditpy-3.0.6 → moleditpy-3.1.0}/src/moleditpy/ui/io_logic.py

@@ -564,10 +564,7 @@ class IOManager:
             self.host.statusBar().showMessage(f"Export error: {e}")
 
     def load_mol_file(self, file_path: Optional[str] = None) -> None:
-        """Regular 2D MOL file loading logic."""
-        if not self.host.state_manager.check_unsaved_changes():
-            return
-
+        """Import a MOL/SDF file and add its contents to the 2D editor."""
         if not file_path:
             default_dir = (
                 os.path.dirname(self.host.init_manager.current_file_path)
@@ -601,11 +598,6 @@ class IOManager:
                 raise ValueError("Failed to read molecule from file.")
 
             Chem.Kekulize(mol)
-            self.host.ui_manager.restore_ui_for_editing()
-            self.host.edit_actions_manager.clear_2d_editor(push_to_undo=False)
-            self.host.view_3d_manager.current_mol = None
-            self.host.view_3d_manager.plotter.clear()
-            self.host.init_manager.analysis_action.setEnabled(False)
 
             if mol.GetNumConformers() == 0:
                 AllChem.Compute2DCoords(mol)
@@ -615,9 +607,22 @@ class IOManager:
             AllChem.WedgeMolBonds(mol, conf)
 
             SCALE_FACTOR = 50.0
-            view_center = self.host.init_manager.view_2d.mapToScene(
-                self.host.init_manager.view_2d.viewport().rect().center()
-            )
+            existing_atoms = self.host.state_manager.data.atoms
+            if existing_atoms:
+                max_x = max(
+                    v["pos"].x() if hasattr(v["pos"], "x") else v["pos"][0]
+                    for v in existing_atoms.values()
+                )
+                avg_y = sum(
+                    v["pos"].y() if hasattr(v["pos"], "y") else v["pos"][1]
+                    for v in existing_atoms.values()
+                ) / len(existing_atoms)
+                place_center = QPointF(max_x + 80.0, avg_y)
+            else:
+                place_center = self.host.init_manager.view_2d.mapToScene(
+                    self.host.init_manager.view_2d.viewport().rect().center()
+                )
+
             positions = [conf.GetAtomPosition(i) for i in range(mol.GetNumAtoms())]
             mol_center_x = (
                 sum(p.x for p in positions) / len(positions) if positions else 0.0
@@ -630,8 +635,8 @@ class IOManager:
             for i in range(mol.GetNumAtoms()):
                 atom = mol.GetAtomWithIdx(i)
                 pos = conf.GetAtomPosition(i)
-                scene_x = ((pos.x - mol_center_x) * SCALE_FACTOR) + view_center.x()
-                scene_y = (-(pos.y - mol_center_y) * SCALE_FACTOR) + view_center.y()
+                scene_x = ((pos.x - mol_center_x) * SCALE_FACTOR) + place_center.x()
+                scene_y = (-(pos.y - mol_center_y) * SCALE_FACTOR) + place_center.y()
                 atom_id = self.host.init_manager.scene.create_atom(
                     atom.GetSymbol(),
                     QPointF(scene_x, scene_y),
@@ -662,18 +667,9 @@ class IOManager:
                     bond_stereo=stereo,
                 )
 
-            self.host.statusBar().showMessage(f"Successfully loaded {file_path}")
-            self.host.state_manager.reset_undo_stack()
-            self.host.init_manager.current_file_path = file_path
-            self.host.state_manager.has_unsaved_changes = False
-            self.host.state_manager.update_window_title()
+            self.host.statusBar().showMessage(f"Successfully imported {file_path}")
             self.host.init_manager.scene.update_all_items()
-
-            # Reset camera/zoom after drawing
-            QTimer.singleShot(
-                50, lambda: self.host.view_3d_manager.plotter.view_isometric()
-            )
-            QTimer.singleShot(100, lambda: self.host.view_3d_manager.plotter.render())
+            self.host.edit_actions_manager.push_undo_state()
             QTimer.singleShot(100, self.host.view_3d_manager.fit_to_view)
         except Exception as e:
             self.host.statusBar().showMessage(f"Error loading file: {e}")

moleditpy-3.1.0/src/moleditpy/ui/string_importers.py

@@ -0,0 +1,208 @@
+#!/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
+
+# RDKit imports (explicit to satisfy flake8 and used features)
+from rdkit import Chem
+from rdkit.Chem import AllChem
+
+# PyQt6 Modules
+from PyQt6.QtCore import QPointF, QTimer
+from PyQt6.QtWidgets import QInputDialog
+
+try:
+    from PyQt6 import sip as _sip  # type: ignore
+
+    _sip_isdeleted = getattr(_sip, "isdeleted", None)
+except ImportError:
+    _sip = None
+    _sip_isdeleted = None
+
+
+# --- Classes ---
+class StringImporterManager:
+    """Mixin for string-based molecular input (SMILES, InChI)."""
+
+    def __init__(self, host):
+        self.host = host
+
+    def import_smiles_dialog(self) -> None:
+        """Dialog for SMILES input."""
+        smiles, ok = QInputDialog.getText(
+            self.host, "Import SMILES", "Enter SMILES string:"
+        )
+        if ok and smiles:
+            self.load_from_smiles(smiles)
+
+    def import_inchi_dialog(self) -> None:
+        """Dialog for InChI input."""
+        inchi, ok = QInputDialog.getText(
+            self.host, "Import InChI", "Enter InChI string:"
+        )
+        if ok and inchi:
+            self.load_from_inchi(inchi)
+
+    def _placement_center(self) -> QPointF:
+        """Return the scene point where the next imported molecule should be centered.
+
+        If the editor already contains atoms, offset to the right of the
+        rightmost atom so the new fragment does not overlap.  Otherwise use
+        the current viewport center.
+        """
+        existing = self.host.state_manager.data.atoms
+        if existing:
+
+            def _x(v):
+                return v["pos"].x() if hasattr(v["pos"], "x") else v["pos"][0]
+
+            def _y(v):
+                return v["pos"].y() if hasattr(v["pos"], "y") else v["pos"][1]
+
+            max_x = max(_x(v) for v in existing.values())
+            avg_y = sum(_y(v) for v in existing.values()) / len(existing)
+            return QPointF(max_x + 80.0, avg_y)
+
+        return self.host.init_manager.view_2d.mapToScene(
+            self.host.init_manager.view_2d.viewport().rect().center()
+        )
+
+    def _place_mol_bonds(self, mol, rdkit_idx_to_my_id: dict) -> None:
+        """Create bonds in the 2D scene from an RDKit molecule."""
+        for bond in mol.GetBonds():
+            b_idx, e_idx = bond.GetBeginAtomIdx(), bond.GetEndAtomIdx()
+            b_type = bond.GetBondTypeAsDouble()
+            b_dir = bond.GetBondDir()
+            stereo = 0
+            if b_dir == Chem.BondDir.BEGINWEDGE:
+                stereo = 1
+            elif b_dir == Chem.BondDir.BEGINDASH:
+                stereo = 2
+            if bond.GetBondType() == Chem.BondType.DOUBLE:
+                if bond.GetStereo() == Chem.BondStereo.STEREOZ:
+                    stereo = 3
+                elif bond.GetStereo() == Chem.BondStereo.STEREOE:
+                    stereo = 4
+
+            if b_idx in rdkit_idx_to_my_id and e_idx in rdkit_idx_to_my_id:
+                a1_id = rdkit_idx_to_my_id[b_idx]
+                a2_id = rdkit_idx_to_my_id[e_idx]
+                a1_item = self.host.state_manager.data.atoms[a1_id]["item"]
+                a2_item = self.host.state_manager.data.atoms[a2_id]["item"]
+                self.host.init_manager.scene.create_bond(
+                    a1_item, a2_item, bond_order=int(b_type), bond_stereo=stereo
+                )
+
+    def _place_mol_atoms(self, mol, conf, place_center: QPointF) -> dict:
+        """Create atoms in the 2D scene and return rdkit_idx → atom_id mapping."""
+        SCALE_FACTOR = 50.0
+        positions = [conf.GetAtomPosition(i) for i in range(mol.GetNumAtoms())]
+        mol_center_x = (
+            sum(p.x for p in positions) / len(positions) if positions else 0.0
+        )
+        mol_center_y = (
+            sum(p.y for p in positions) / len(positions) if positions else 0.0
+        )
+
+        rdkit_idx_to_my_id = {}
+        for i in range(mol.GetNumAtoms()):
+            atom = mol.GetAtomWithIdx(i)
+            pos = conf.GetAtomPosition(i)
+            scene_x = ((pos.x - mol_center_x) * SCALE_FACTOR) + place_center.x()
+            scene_y = (-(pos.y - mol_center_y) * SCALE_FACTOR) + place_center.y()
+            atom_id = self.host.init_manager.scene.create_atom(
+                atom.GetSymbol(),
+                QPointF(scene_x, scene_y),
+                charge=atom.GetFormalCharge(),
+            )
+            rdkit_idx_to_my_id[i] = atom_id
+        return rdkit_idx_to_my_id
+
+    def load_from_smiles(self, smiles_string: str) -> None:
+        """Add a molecule from a SMILES string to the 2D editor."""
+        cleaned_smiles = smiles_string.strip()
+
+        try:
+            mol = Chem.MolFromSmiles(cleaned_smiles)
+            if mol is None:
+                if not cleaned_smiles:
+                    raise ValueError("SMILES string was empty.")
+                raise ValueError("Invalid SMILES string.")
+
+            AllChem.Compute2DCoords(mol)
+            Chem.Kekulize(mol)
+            AllChem.AssignStereochemistry(mol, cleanIt=True, force=True)
+            conf = mol.GetConformer()
+            AllChem.WedgeMolBonds(mol, conf)
+        except ValueError as e:
+            self.host.statusBar().showMessage(f"Invalid SMILES: {e}")
+            return
+        except (RuntimeError, TypeError, AttributeError) as e:
+            self.host.statusBar().showMessage(f"Error parsing SMILES: {e}")
+            return
+
+        try:
+            place_center = self._placement_center()
+            rdkit_idx_to_my_id = self._place_mol_atoms(
+                mol, mol.GetConformer(), place_center
+            )
+            self._place_mol_bonds(mol, rdkit_idx_to_my_id)
+
+            self.host.statusBar().showMessage("Successfully loaded from SMILES.")
+            self.host.init_manager.scene.update_all_items()
+            self.host.edit_actions_manager.push_undo_state()
+            QTimer.singleShot(0, self.host.view_3d_manager.fit_to_view)
+
+        except (AttributeError, RuntimeError, ValueError, TypeError) as e:
+            self.host.statusBar().showMessage(f"Error loading from SMILES: {e}")
+
+    def load_from_inchi(self, inchi_string: str) -> None:
+        """Add a molecule from an InChI string to the 2D editor."""
+        cleaned_inchi = inchi_string.strip()
+
+        try:
+            mol = Chem.MolFromInchi(cleaned_inchi)
+            if mol is None:
+                if not cleaned_inchi:
+                    raise ValueError("InChI string was empty.")
+                raise ValueError("Invalid InChI string.")
+
+            AllChem.Compute2DCoords(mol)
+            Chem.Kekulize(mol)
+            AllChem.AssignStereochemistry(mol, cleanIt=True, force=True)
+            conf = mol.GetConformer()
+            AllChem.WedgeMolBonds(mol, conf)
+        except ValueError as e:
+            self.host.statusBar().showMessage(f"Invalid InChI: {e}")
+            return
+        except (RuntimeError, TypeError, AttributeError) as e:
+            self.host.statusBar().showMessage(f"Error parsing InChI: {e}")
+            return
+
+        try:
+            place_center = self._placement_center()
+            rdkit_idx_to_my_id = self._place_mol_atoms(
+                mol, mol.GetConformer(), place_center
+            )
+            self._place_mol_bonds(mol, rdkit_idx_to_my_id)
+
+            self.host.statusBar().showMessage("Successfully loaded from InChI.")
+            self.host.init_manager.scene.update_all_items()
+            self.host.edit_actions_manager.push_undo_state()
+            QTimer.singleShot(0, self.host.view_3d_manager.fit_to_view)
+
+        except (AttributeError, RuntimeError, ValueError, TypeError) as e:
+            self.host.statusBar().showMessage(f"Error loading from InChI: {e}")
+
+
+# Backward-compat aliases
+MainWindowStringImporters = StringImporterManager

{moleditpy-3.0.6 → moleditpy-3.1.0}/src/moleditpy/ui/user_template_dialog.py

@@ -634,10 +634,6 @@ class UserTemplateDialog(QDialog):
                     return
 
             if self.save_template_file(filepath, template_data):
-                # Mark main window as saved
-                self.main_window.state_manager.has_unsaved_changes = False
-                self.main_window.state_manager.update_window_title()
-
                 QMessageBox.information(
                     self, "Success", f"Template '{name}' saved successfully."
                 )

{moleditpy-3.0.6 → moleditpy-3.1.0}/src/moleditpy/ui/view_3d_logic.py

@@ -282,8 +282,9 @@ class View3DManager:
         self.host.view_3d_manager.plotter.camera_position = camera_state
 
         # Update projection mode and force render
-        settings = getattr(self, "settings", {})
-        proj_mode = settings.get("projection_mode", "Perspective")
+        proj_mode = self.host.init_manager.settings.get(
+            "projection_mode", "Perspective"
+        )
         if hasattr(self.host.view_3d_manager.plotter, "renderer") and hasattr(
             self.host.view_3d_manager.plotter.renderer, "GetActiveCamera"
         ):

{moleditpy-3.0.6 → moleditpy-3.1.0}/src/moleditpy/utils/constants.py

@@ -16,7 +16,7 @@ from PyQt6.QtGui import QColor, QFont
 from rdkit import Chem
 
 # Version
-VERSION = "3.0.6"
+VERSION = "3.1.0"
 
 ATOM_RADIUS = 18
 BOND_OFFSET = 3.5

moleditpy-3.0.6/src/moleditpy/ui/string_importers.py

@@ -1,257 +0,0 @@
-#!/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
-
-# RDKit imports (explicit to satisfy flake8 and used features)
-from rdkit import Chem
-from rdkit.Chem import AllChem
-
-# PyQt6 Modules
-from PyQt6.QtCore import QPointF, QTimer
-from PyQt6.QtWidgets import QInputDialog
-
-try:
-    from PyQt6 import sip as _sip  # type: ignore
-
-    _sip_isdeleted = getattr(_sip, "isdeleted", None)
-except ImportError:
-    _sip = None
-    _sip_isdeleted = None
-
-
-# --- Classes ---
-class StringImporterManager:
-    """Mixin for string-based molecular input (SMILES, InChI)."""
-
-    def __init__(self, host):
-        self.host = host
-
-    def import_smiles_dialog(self) -> None:
-        """Dialog for SMILES input."""
-        smiles, ok = QInputDialog.getText(
-            self.host, "Import SMILES", "Enter SMILES string:"
-        )
-        if ok and smiles:
-            self.load_from_smiles(smiles)
-
-    def import_inchi_dialog(self) -> None:
-        """Dialog for InChI input."""
-        inchi, ok = QInputDialog.getText(
-            self.host, "Import InChI", "Enter InChI string:"
-        )
-        if ok and inchi:
-            self.load_from_inchi(inchi)
-
-    def load_from_smiles(self, smiles_string: str) -> None:
-        """Load molecule from SMILES string to 2D editor."""
-        if not self.host.state_manager.check_unsaved_changes():
-            return  # User cancelled
-
-        cleaned_smiles = smiles_string.strip()
-
-        try:
-            mol = Chem.MolFromSmiles(cleaned_smiles)
-            if mol is None:
-                if not cleaned_smiles:
-                    raise ValueError("SMILES string was empty.")
-                raise ValueError("Invalid SMILES string.")
-
-            AllChem.Compute2DCoords(mol)
-            Chem.Kekulize(mol)
-
-            AllChem.AssignStereochemistry(mol, cleanIt=True, force=True)
-            conf = mol.GetConformer()
-            AllChem.WedgeMolBonds(mol, conf)
-        except ValueError as e:
-            self.host.statusBar().showMessage(f"Invalid SMILES: {e}")
-            return
-        except (RuntimeError, TypeError, AttributeError) as e:
-            self.host.statusBar().showMessage(f"Error parsing SMILES: {e}")
-            return
-
-        try:
-            self.host.ui_manager.restore_ui_for_editing()
-            self.host.edit_actions_manager.clear_2d_editor(push_to_undo=False)
-            self.host.view_3d_manager.current_mol = None
-            self.host.view_3d_manager.plotter.clear()
-            self.host.init_manager.analysis_action.setEnabled(False)
-
-            conf = mol.GetConformer()
-            SCALE_FACTOR = 50.0
-
-            view_center = self.host.init_manager.view_2d.mapToScene(
-                self.host.init_manager.view_2d.viewport().rect().center()
-            )
-            positions = [conf.GetAtomPosition(i) for i in range(mol.GetNumAtoms())]
-            mol_center_x = (
-                sum(p.x for p in positions) / len(positions) if positions else 0.0
-            )
-            mol_center_y = (
-                sum(p.y for p in positions) / len(positions) if positions else 0.0
-            )
-
-            rdkit_idx_to_my_id = {}
-            for i in range(mol.GetNumAtoms()):
-                atom = mol.GetAtomWithIdx(i)
-                pos = conf.GetAtomPosition(i)
-                charge = atom.GetFormalCharge()
-
-                relative_x = pos.x - mol_center_x
-                relative_y = pos.y - mol_center_y
-
-                scene_x = (relative_x * SCALE_FACTOR) + view_center.x()
-                scene_y = (-relative_y * SCALE_FACTOR) + view_center.y()
-
-                atom_id = self.host.init_manager.scene.create_atom(
-                    atom.GetSymbol(), QPointF(scene_x, scene_y), charge=charge
-                )
-                rdkit_idx_to_my_id[i] = atom_id
-
-            for bond in mol.GetBonds():
-                b_idx, e_idx = bond.GetBeginAtomIdx(), bond.GetEndAtomIdx()
-                b_type = bond.GetBondTypeAsDouble()
-                b_dir = bond.GetBondDir()
-                stereo = 0
-                # Single bond stereo
-                if b_dir == Chem.BondDir.BEGINWEDGE:
-                    stereo = 1  # Wedge
-                elif b_dir == Chem.BondDir.BEGINDASH:
-                    stereo = 2  # Dash
-                # Double bond E/Z
-                if bond.GetBondType() == Chem.BondType.DOUBLE:
-                    if bond.GetStereo() == Chem.BondStereo.STEREOZ:
-                        stereo = 3  # Z
-                    elif bond.GetStereo() == Chem.BondStereo.STEREOE:
-                        stereo = 4  # E
-
-                if b_idx in rdkit_idx_to_my_id and e_idx in rdkit_idx_to_my_id:
-                    a1_id, a2_id = rdkit_idx_to_my_id[b_idx], rdkit_idx_to_my_id[e_idx]
-                    a1_item = self.host.state_manager.data.atoms[a1_id]["item"]
-                    a2_item = self.host.state_manager.data.atoms[a2_id]["item"]
-                    self.host.init_manager.scene.create_bond(
-                        a1_item, a2_item, bond_order=int(b_type), bond_stereo=stereo
-                    )
-
-            self.host.statusBar().showMessage("Successfully loaded from SMILES.")
-            self.host.init_manager.scene.update_all_items()
-            self.host.state_manager.reset_undo_stack()
-            self.host.state_manager.has_unsaved_changes = False
-            self.host.state_manager.update_window_title()
-            QTimer.singleShot(0, self.host.view_3d_manager.fit_to_view)
-
-        except (AttributeError, RuntimeError, ValueError, TypeError) as e:
-            self.host.statusBar().showMessage(f"Error loading from SMILES: {e}")
-
-    def load_from_inchi(self, inchi_string: str) -> None:
-        """Load molecule from InChI string to 2D editor."""
-        if not self.host.state_manager.check_unsaved_changes():
-            return  # User cancelled
-
-        cleaned_inchi = inchi_string.strip()
-
-        try:
-            mol = Chem.MolFromInchi(cleaned_inchi)
-            if mol is None:
-                if not cleaned_inchi:
-                    raise ValueError("InChI string was empty.")
-                raise ValueError("Invalid InChI string.")
-
-            AllChem.Compute2DCoords(mol)
-            Chem.Kekulize(mol)
-
-            AllChem.AssignStereochemistry(mol, cleanIt=True, force=True)
-            conf = mol.GetConformer()
-            AllChem.WedgeMolBonds(mol, conf)
-        except ValueError as e:
-            self.host.statusBar().showMessage(f"Invalid InChI: {e}")
-            return
-        except (RuntimeError, TypeError, AttributeError) as e:
-            self.host.statusBar().showMessage(f"Error parsing InChI: {e}")
-            return
-
-        try:
-            self.host.ui_manager.restore_ui_for_editing()
-            self.host.edit_actions_manager.clear_2d_editor(push_to_undo=False)
-            self.host.view_3d_manager.current_mol = None
-            self.host.view_3d_manager.plotter.clear()
-            self.host.init_manager.analysis_action.setEnabled(False)
-
-            conf = mol.GetConformer()
-            SCALE_FACTOR = 50.0
-
-            view_center = self.host.init_manager.view_2d.mapToScene(
-                self.host.init_manager.view_2d.viewport().rect().center()
-            )
-            positions = [conf.GetAtomPosition(i) for i in range(mol.GetNumAtoms())]
-            mol_center_x = (
-                sum(p.x for p in positions) / len(positions) if positions else 0.0
-            )
-            mol_center_y = (
-                sum(p.y for p in positions) / len(positions) if positions else 0.0
-            )
-
-            rdkit_idx_to_my_id = {}
-            for i in range(mol.GetNumAtoms()):
-                atom = mol.GetAtomWithIdx(i)
-                pos = conf.GetAtomPosition(i)
-                charge = atom.GetFormalCharge()
-
-                relative_x = pos.x - mol_center_x
-                relative_y = pos.y - mol_center_y
-
-                scene_x = (relative_x * SCALE_FACTOR) + view_center.x()
-                scene_y = (-relative_y * SCALE_FACTOR) + view_center.y()
-
-                atom_id = self.host.init_manager.scene.create_atom(
-                    atom.GetSymbol(), QPointF(scene_x, scene_y), charge=charge
-                )
-                rdkit_idx_to_my_id[i] = atom_id
-
-            for bond in mol.GetBonds():
-                b_idx, e_idx = bond.GetBeginAtomIdx(), bond.GetEndAtomIdx()
-                b_type = bond.GetBondTypeAsDouble()
-                b_dir = bond.GetBondDir()
-                stereo = 0
-                # Single bond stereo
-                if b_dir == Chem.BondDir.BEGINWEDGE:
-                    stereo = 1  # Wedge
-                elif b_dir == Chem.BondDir.BEGINDASH:
-                    stereo = 2  # Dash
-                # Double bond E/Z
-                if bond.GetBondType() == Chem.BondType.DOUBLE:
-                    if bond.GetStereo() == Chem.BondStereo.STEREOZ:
-                        stereo = 3  # Z
-                    elif bond.GetStereo() == Chem.BondStereo.STEREOE:
-                        stereo = 4  # E
-
-                if b_idx in rdkit_idx_to_my_id and e_idx in rdkit_idx_to_my_id:
-                    a1_id, a2_id = rdkit_idx_to_my_id[b_idx], rdkit_idx_to_my_id[e_idx]
-                    a1_item = self.host.state_manager.data.atoms[a1_id]["item"]
-                    a2_item = self.host.state_manager.data.atoms[a2_id]["item"]
-                    self.host.init_manager.scene.create_bond(
-                        a1_item, a2_item, bond_order=int(b_type), bond_stereo=stereo
-                    )
-
-            self.host.statusBar().showMessage("Successfully loaded from InChI.")
-            self.host.init_manager.scene.update_all_items()
-            self.host.state_manager.reset_undo_stack()
-            self.host.state_manager.has_unsaved_changes = False
-            self.host.state_manager.update_window_title()
-            QTimer.singleShot(0, self.host.view_3d_manager.fit_to_view)
-
-        except (AttributeError, RuntimeError, ValueError, TypeError) as e:
-            self.host.statusBar().showMessage(f"Error loading from InChI: {e}")
-
-
-# Backward-compat aliases
-MainWindowStringImporters = StringImporterManager