moleditpy 1.3.0__tar.gz → 1.3.1__tar.gz

{moleditpy-1.3.0 → moleditpy-1.3.1}/PKG-INFO

@@ -1,6 +1,6 @@
 Metadata-Version: 2.4
 Name: moleditpy
-Version: 1.3.0
+Version: 1.3.1
 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>
 Project-URL: Homepage, https://github.com/HiroYokoyama/python_molecular_editor

{moleditpy-1.3.0 → moleditpy-1.3.1}/pyproject.toml

@@ -5,7 +5,7 @@ build-backend = "setuptools.build_meta"
 [project]
 name = "moleditpy"
 
-version = "1.3.0"
+version = "1.3.1"
 
 authors = [
   { name="HiroYokoyama", email="titech.yoko.hiro@gmail.com" },

{moleditpy-1.3.0 → moleditpy-1.3.1}/src/moleditpy/main.py

@@ -11,7 +11,7 @@ DOI 10.5281/zenodo.17268532
 """
 
 #Version
-VERSION = '1.3.0'
+VERSION = '1.3.1'
 
 print("-----------------------------------------------------")
 print("MoleditPy — A Python-based molecular editing software")
@@ -3013,6 +3013,11 @@ class MainWindow(QMainWindow):
             
         mol_block = Chem.MolToMolBlock(mol, includeStereo=True)
         self.convert_button.setEnabled(False)
+        self.cleanup_button.setEnabled(False)
+        self.optimize_3d_button.setEnabled(False)
+        self.export_button.setEnabled(False)
+        self.analysis_action.setEnabled(False)
+        self.edit_3d_action.setEnabled(False)
         self.statusBar().showMessage("Calculating 3D structure...")
         self.plotter.clear() 
         text_actor = self.plotter.add_text(
@@ -3074,6 +3079,7 @@ class MainWindow(QMainWindow):
         self.analysis_action.setEnabled(True)
         self.push_undo_state()
         self.view_2d.setFocus()
+        self.cleanup_button.setEnabled(True)
         self.optimize_3d_button.setEnabled(True)
         self.export_button.setEnabled(True)
         self.edit_3d_action.setEnabled(True)
@@ -3083,6 +3089,7 @@ class MainWindow(QMainWindow):
         self.plotter.clear()
         self.dragged_atom_info = None
         self.statusBar().showMessage(f"Error: {error_message}")
+        self.cleanup_button.setEnabled(True)
         self.convert_button.setEnabled(True)
         self.analysis_action.setEnabled(False)
         self.edit_3d_action.setEnabled(False) 

{moleditpy-1.3.0 → moleditpy-1.3.1}/src/moleditpy.egg-info/PKG-INFO

@@ -1,6 +1,6 @@
 Metadata-Version: 2.4
 Name: moleditpy
-Version: 1.3.0
+Version: 1.3.1
 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>
 Project-URL: Homepage, https://github.com/HiroYokoyama/python_molecular_editor