MoleditPy 3.0.3__tar.gz → 3.0.5__tar.gz

{moleditpy-3.0.3 → moleditpy-3.0.5}/PKG-INFO

@@ -1,6 +1,6 @@
 Metadata-Version: 2.4
 Name: MoleditPy
-Version: 3.0.3
+Version: 3.0.5
 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-3.0.3 → moleditpy-3.0.5}/pyproject.toml

@@ -5,7 +5,7 @@ build-backend = "setuptools.build_meta"
 [project]
 name = "MoleditPy"
 
-version = "3.0.3"
+version = "3.0.5"
 
 license = {file = "LICENSE"}
 

{moleditpy-3.0.3 → moleditpy-3.0.5}/src/MoleditPy.egg-info/PKG-INFO

@@ -1,6 +1,6 @@
 Metadata-Version: 2.4
 Name: MoleditPy
-Version: 3.0.3
+Version: 3.0.5
 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-3.0.3 → moleditpy-3.0.5}/src/moleditpy/main.py

@@ -16,15 +16,22 @@ import argparse
 import logging
 import os
 
-from PyQt6.QtWidgets import QApplication
-
 try:
-    from .ui.main_window import MainWindow
+    from .utils.constants import VERSION
 except ImportError:
     # Add the parent directory (src) to sys.path so 'moleditpy.*' imports work
     src_dir = os.path.abspath(os.path.join(os.path.dirname(__file__), ".."))
     if src_dir not in sys.path:
         sys.path.insert(0, src_dir)
+    from moleditpy.utils.constants import VERSION
+
+# VERSION is resolved above (before Qt) so --version works without launching the app.
+
+from PyQt6.QtWidgets import QApplication
+
+try:
+    from .ui.main_window import MainWindow
+except ImportError:
     from moleditpy.ui.main_window import MainWindow
 
 
@@ -63,6 +70,10 @@ def main():
         prog="moleditpy", description="MoleditPy molecular editor"
     )
     parser.add_argument("file", nargs="?", default=None, help="File to open on startup")
+    _variant = " (Linux)" if "moleditpy_linux" in (__file__ or "") else ""
+    parser.add_argument(
+        "--version", action="version", version=f"MoleditPy{_variant} {VERSION}"
+    )
     parser.add_argument(
         "--safe",
         action="store_true",

{moleditpy-3.0.3 → moleditpy-3.0.5}/src/moleditpy/plugins/plugin_manager.py

@@ -254,7 +254,27 @@ class PluginManager:
             )
             unique_module_name = unique_module_name.strip(".")
 
-            spec = importlib.util.spec_from_file_location(unique_module_name, filepath)
+            is_package = os.path.basename(filepath) == "__init__.py"
+            pkg_dir = os.path.dirname(filepath) if is_package else None
+
+            # For package plugins, register stub parent packages so that
+            # relative imports (e.g. "from . import parser") resolve correctly.
+            if is_package and "." in unique_module_name:
+                parts = unique_module_name.split(".")
+                for i in range(1, len(parts)):
+                    parent_name = ".".join(parts[:i])
+                    if parent_name not in sys.modules:
+                        import types as _types
+                        stub = _types.ModuleType(parent_name)
+                        stub.__path__ = []
+                        stub.__package__ = parent_name
+                        sys.modules[parent_name] = stub
+
+            spec = importlib.util.spec_from_file_location(
+                unique_module_name,
+                filepath,
+                submodule_search_locations=([pkg_dir] if is_package else None),
+            )
             if spec and spec.loader:
                 module = importlib.util.module_from_spec(spec)
                 sys.modules[spec.name] = module

{moleditpy-3.0.3 → moleditpy-3.0.5}/src/moleditpy/ui/about_dialog.py

@@ -72,7 +72,8 @@ class AboutDialog(QDialog):
         layout.addWidget(self.image_label)
 
         # Add text information
-        info_text = f"MoleditPy Ver. {VERSION}\nAuthor: Hiromichi Yokoyama\nLicense: GPL-3.0 license"
+        _variant = " (Linux)" if "moleditpy_linux" in (__file__ or "") else ""
+        info_text = f"MoleditPy{_variant} 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)

{moleditpy-3.0.3 → moleditpy-3.0.5}/src/moleditpy/ui/main_window_init.py

@@ -264,7 +264,7 @@ class MainInitManager:
         file_ext = ext_with_dot.lstrip(".")
 
         # 1. Custom Plugin Openers
-        if ext_with_dot in self.host.plugin_manager.file_openers:
+        if self.host.plugin_manager and ext_with_dot in self.host.plugin_manager.file_openers:
             openers = self.host.plugin_manager.file_openers[ext_with_dot]
             # Iterate through openers (already sorted by priority)
             for opener_info in openers:
@@ -276,9 +276,10 @@ class MainInitManager:
                     self.host.init_manager.current_file_path = file_path
                     self.host.state_manager.update_window_title()
                     return  # Success
-                except (AttributeError, RuntimeError, ValueError) as e:
-                    print(
-                        f"Plugin opener failed for '{opener_info.get('plugin', 'Unknown')}': {e}"
+                except Exception as e:
+                    logging.warning(
+                        "Plugin opener failed for '%s': %s",
+                        opener_info.get('plugin', 'Unknown'), e
                     )
                     # If this opener fails, try the next one or fall through to default
                     continue

{moleditpy-3.0.3 → moleditpy-3.0.5}/src/moleditpy/ui/view_3d_logic.py

@@ -175,7 +175,7 @@ class View3DManager:
         self._3d_color_map.clear()
 
         # 1. Camera state and clear
-        camera_state = self.host.view_3d_manager.plotter.camera.copy()
+        camera_state = self.host.view_3d_manager.plotter.camera_position
 
         # Force removal to prevent ghost actor residues
         old_axes_actor = getattr(self, "axes_actor", None)
@@ -279,7 +279,7 @@ class View3DManager:
         self._add_3d_bond_cylinders(mol_to_draw, conf, col, current_style, mesh_props)
         self._add_3d_aromatic_rings(mol_to_draw, current_style, mesh_props)
         self._add_3d_labels(mol, mol_to_draw)
-        self.host.view_3d_manager.plotter.camera = camera_state
+        self.host.view_3d_manager.plotter.camera_position = camera_state
 
         # Update projection mode and force render
         settings = getattr(self, "settings", {})

{moleditpy-3.0.3 → moleditpy-3.0.5}/src/moleditpy/utils/constants.py

@@ -16,7 +16,7 @@ from PyQt6.QtGui import QColor, QFont
 from rdkit import Chem
 
 # Version
-VERSION = "3.0.3"
+VERSION = "3.0.5"
 
 ATOM_RADIUS = 18
 BOND_OFFSET = 3.5

{moleditpy-3.0.3 → moleditpy-3.0.5}/src/moleditpy/utils/default_settings.py

@@ -53,7 +53,7 @@ DEFAULT_SETTINGS = {
     "display_aromatic_circles_3d": False,
     "display_kekule_3d": False,
     # --- 3D Conversion and Optimization ---
-    "3d_conversion_mode": "rdkit",
+    "3d_conversion_mode": "fallback",
     "optimization_method": "MMFF_RDKIT",
     "optimize_intermolecular_interaction_rdkit": True,
     "skip_chemistry_checks": False,