MoleditPy 3.0.0a7__tar.gz → 3.0.0b1__tar.gz

{moleditpy-3.0.0a7 → moleditpy-3.0.0b1}/PKG-INFO

@@ -1,6 +1,6 @@
 Metadata-Version: 2.4
 Name: MoleditPy
-Version: 3.0.0a7
+Version: 3.0.0b1
 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-3.0.0a7 → moleditpy-3.0.0b1}/pyproject.toml

@@ -5,7 +5,7 @@ build-backend = "setuptools.build_meta"
 [project]
 name = "MoleditPy"
 
-version = "3.0.0a7"
+version = "3.0.0b1"
 
 license = {file = "LICENSE"}
 

{moleditpy-3.0.0a7 → moleditpy-3.0.0b1}/src/MoleditPy.egg-info/PKG-INFO

@@ -1,6 +1,6 @@
 Metadata-Version: 2.4
 Name: MoleditPy
-Version: 3.0.0a7
+Version: 3.0.0b1
 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-3.0.0a7 → moleditpy-3.0.0b1}/src/moleditpy/plugins/plugin_manager_window.py

@@ -10,8 +10,9 @@ Repo: https://github.com/HiroYokoyama/python_molecular_editor
 DOI: 10.5281/zenodo.17268532
 """
 
-import os
-import shutil
+import os
+import shutil
+import hashlib
 
 from PyQt6.QtCore import Qt, QUrl
 from PyQt6.QtGui import QDesktopServices, QDragEnterEvent, QDropEvent
@@ -257,9 +258,10 @@ class PluginManagerWindow(QDialog):
                 is_valid = True
                 is_folder = True
 
-            if is_valid:
-                # Extract info and confirm
-                info = {
+            if is_valid:
+                sha256_value = self._compute_sha256(file_path)
+                # Extract info and confirm
+                info = {
                     "name": os.path.basename(file_path),
                     "version": "Unknown",
                     "author": "Unknown",
@@ -279,14 +281,15 @@ class PluginManagerWindow(QDialog):
                 elif file_path.endswith(".py"):
                     info = self.plugin_manager.get_plugin_info_safe(file_path)
 
-                msg = (
-                    f"Do you want to install this plugin?\n\n"
-                    f"Name: {info['name']}\n"
-                    f"Author: {info['author']}\n"
-                    f"Version: {info['version']}\n"
-                    f"Description: {info['description']}\n\n"
-                    f"File: {os.path.basename(file_path)}"
-                )
+                msg = (
+                    f"Do you want to install this plugin?\n\n"
+                    f"Name: {info['name']}\n"
+                    f"Author: {info['author']}\n"
+                    f"Version: {info['version']}\n"
+                    f"Description: {info['description']}\n\n"
+                    f"File: {os.path.basename(file_path)}\n"
+                    f"SHA-256: {sha256_value}"
+                )
 
                 reply = QMessageBox.question(
                     self,
@@ -307,7 +310,43 @@ class PluginManagerWindow(QDialog):
             summary = ""
             if files_installed:
                 summary += "Installed:\n" + "\n".join(files_installed) + "\n\n"
-            if errors:
-                summary += "Errors:\n" + "\n".join(errors)
-
-            QMessageBox.information(self, "Plugin Installation", summary)
+            if errors:
+                summary += "Errors:\n" + "\n".join(errors)
+
+            QMessageBox.information(self, "Plugin Installation", summary)
+
+    def _compute_sha256(self, path):
+        if os.path.isfile(path):
+            return self._sha256_for_file(path)
+        if os.path.isdir(path):
+            return self._sha256_for_directory(path)
+        return "N/A"
+
+    def _sha256_for_file(self, path):
+        hasher = hashlib.sha256()
+        try:
+            with open(path, "rb") as f:
+                for chunk in iter(lambda: f.read(8192), b""):
+                    hasher.update(chunk)
+            return hasher.hexdigest()
+        except (AttributeError, OSError, RuntimeError, ValueError, TypeError):
+            return "N/A"
+
+    def _sha256_for_directory(self, dir_path):
+        hasher = hashlib.sha256()
+        try:
+            root = os.path.abspath(dir_path)
+            for current_root, _dirs, files in os.walk(root):
+                rel_root = os.path.relpath(current_root, root)
+                for filename in sorted(files):
+                    file_path = os.path.join(current_root, filename)
+                    rel_path = os.path.normpath(os.path.join(rel_root, filename))
+                    hasher.update(rel_path.encode("utf-8", errors="replace"))
+                    hasher.update(b"\0")
+                    with open(file_path, "rb") as f:
+                        for chunk in iter(lambda: f.read(8192), b""):
+                            hasher.update(chunk)
+                    hasher.update(b"\0")
+            return hasher.hexdigest()
+        except (AttributeError, OSError, RuntimeError, ValueError, TypeError):
+            return "N/A"

{moleditpy-3.0.0a7 → moleditpy-3.0.0b1}/src/moleditpy/ui/main_window_init.py

@@ -840,17 +840,20 @@ class MainInitManager:
                 a.setData(PLUGIN_ACTION_TAG)
                 menu.addAction(a)
 
-    def _integrate_plugin_file_openers(self):
-        """Add plugin-provided file openers to the import menu."""
-        if (
-            not hasattr(self.host, "import_menu")
-            or not self.host.plugin_manager.file_openers
-        ):
-            return
-
-        PLUGIN_ACTION_TAG = "plugin_managed"
-        sep = self.import_menu.addSeparator()
-        sep.setData(PLUGIN_ACTION_TAG)
+    def _integrate_plugin_file_openers(self):
+        """Add plugin-provided file openers to the import menu."""
+        if not self.host.plugin_manager.file_openers:
+            return
+
+        import_menu = getattr(self, "import_menu", None) or getattr(
+            self.host, "import_menu", None
+        )
+        if import_menu is None:
+            return
+
+        PLUGIN_ACTION_TAG = "plugin_managed"
+        sep = import_menu.addSeparator()
+        sep.setData(PLUGIN_ACTION_TAG)
 
         plugin_map = {}
         for ext, openers in self.host.plugin_manager.file_openers.items():
@@ -884,10 +887,10 @@ class MainInitManager:
 
                 return _cb
 
-            a = QAction(f"Import {ext_str} ({p_name})...", self.host)
-            a.triggered.connect(make_cb(ext_map, filter_str, p_name))
-            a.setData(PLUGIN_ACTION_TAG)
-            self.import_menu.addAction(a)
+            a = QAction(f"Import {ext_str} ({p_name})...", self.host)
+            a.triggered.connect(make_cb(ext_map, filter_str, p_name))
+            a.setData(PLUGIN_ACTION_TAG)
+            import_menu.addAction(a)
 
     def _integrate_plugin_analysis_tools(self):
         """Add plugin-provided analysis tools to the analysis menu."""

{moleditpy-3.0.0a7 → moleditpy-3.0.0b1}/src/moleditpy/utils/constants.py

@@ -16,7 +16,7 @@ from PyQt6.QtGui import QColor, QFont
 from rdkit import Chem
 
 # Version
-VERSION = "3.0.0a7"
+VERSION = "3.0.0b1"
 
 ATOM_RADIUS = 18
 BOND_OFFSET = 3.5