MoleditPy 3.5.1__tar.gz → 3.5.2__tar.gz

{moleditpy-3.5.1 → moleditpy-3.5.2}/PKG-INFO

@@ -1,6 +1,6 @@
 Metadata-Version: 2.4
 Name: MoleditPy
-Version: 3.5.1
+Version: 3.5.2
 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-3.5.1 → moleditpy-3.5.2}/pyproject.toml

@@ -5,7 +5,7 @@ build-backend = "setuptools.build_meta"
 [project]
 name = "MoleditPy"
 
-version = "3.5.1"
+version = "3.5.2"
 
 license = {file = "LICENSE"}
 

{moleditpy-3.5.1 → moleditpy-3.5.2}/src/MoleditPy.egg-info/PKG-INFO

@@ -1,6 +1,6 @@
 Metadata-Version: 2.4
 Name: MoleditPy
-Version: 3.5.1
+Version: 3.5.2
 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-3.5.1 → moleditpy-3.5.2}/src/moleditpy/ui/main_window_init.py

@@ -613,12 +613,18 @@ class MainInitManager:
             )
 
     def save_settings(self) -> None:
+        if (
+            not self.host.init_manager.settings_dirty
+            or self.host.init_manager.settings == self.host.initial_settings
+        ):
+            return
         try:
             if not os.path.exists(self.host.init_manager.settings_dir):
                 os.makedirs(self.host.init_manager.settings_dir)
             with open(self.host.init_manager.settings_file, "w", encoding="utf-8") as f:
                 json.dump(self.host.init_manager.settings, f, indent=4)
             self.host.init_manager.settings_dirty = False
+            self.host.initial_settings = self.host.init_manager.settings.copy()
         except (AttributeError, RuntimeError, ValueError) as e:
             print(f"Error saving settings: {e}")
 

{moleditpy-3.5.1 → moleditpy-3.5.2}/src/moleditpy/utils/default_settings.py

@@ -19,7 +19,6 @@ DEFAULT_SETTINGS = {
     "specular_power": 20,
     "light_intensity": 1.0,
     "show_3d_axes": True,
-    "show_chiral_labels": False,
     # --- 3D Model Parameters (Ball and Stick) ---
     "ball_stick_atom_scale": 1.0,
     "ball_stick_bond_radius": 0.1,
@@ -33,7 +32,6 @@ DEFAULT_SETTINGS = {
     # --- 3D Model Parameters (CPK) ---
     "cpk_atom_scale": 1.0,
     "cpk_resolution": 32,
-    "cpk_colors": {},
     # --- 3D Model Parameters (Wireframe) ---
     "wireframe_bond_radius": 0.02,
     "wireframe_resolution": 6,
@@ -58,12 +56,9 @@ DEFAULT_SETTINGS = {
     "optimize_intermolecular_interaction_rdkit": True,
     "skip_chemistry_checks": False,
     "always_ask_charge": False,
-    # --- Interaction and Selection ---
-    "use_high_fidelity_selection": True,
-    "selection_color": "#FFD700",
-    "high_quality_meshing": True,
-    "atom_label_color": "#000000",
+    # --- Color ---
     "bond_color": "#808080",
+    "cpk_colors": {},
     # --- 2D Settings ---
     "bond_width_2d": 2.0,
     "bond_spacing_double_2d": 3.5,
@@ -79,10 +74,4 @@ DEFAULT_SETTINGS = {
     "template_fusing_enabled_2d": True,
     "template_fusing_distance_2d": 14.0,
     "template_snapping_distance_2d": 14.0,
-    # --- Application Session / UI State ---
-    "theme": "light",
-    "window_size": [1200, 800],
-    "window_position": [100, 100],
-    "splitter_sizes": [600, 600],
-    "last_dir": "",
 }