moleditpy 0.3.0__tar.gz → 0.3.2__tar.gz
This diff represents the content of publicly available package versions that have been released to one of the supported registries. The information contained in this diff is provided for informational purposes only and reflects changes between package versions as they appear in their respective public registries.
- {moleditpy-0.3.0 → moleditpy-0.3.2}/PKG-INFO +1 -1
- {moleditpy-0.3.0 → moleditpy-0.3.2}/pyproject.toml +2 -2
- moleditpy-0.3.2/src/moleditpy/assets/icon.ico +0 -0
- {moleditpy-0.3.0 → moleditpy-0.3.2}/src/moleditpy/main.py +12 -6
- {moleditpy-0.3.0 → moleditpy-0.3.2}/src/moleditpy.egg-info/PKG-INFO +1 -1
- {moleditpy-0.3.0 → moleditpy-0.3.2}/src/moleditpy.egg-info/SOURCES.txt +1 -0
- {moleditpy-0.3.0 → moleditpy-0.3.2}/README.md +0 -0
- {moleditpy-0.3.0 → moleditpy-0.3.2}/setup.cfg +0 -0
- {moleditpy-0.3.0 → moleditpy-0.3.2}/src/moleditpy/__init__.py +0 -0
- {moleditpy-0.3.0 → moleditpy-0.3.2}/src/moleditpy/assets/icon.png +0 -0
- {moleditpy-0.3.0 → moleditpy-0.3.2}/src/moleditpy.egg-info/dependency_links.txt +0 -0
- {moleditpy-0.3.0 → moleditpy-0.3.2}/src/moleditpy.egg-info/entry_points.txt +0 -0
- {moleditpy-0.3.0 → moleditpy-0.3.2}/src/moleditpy.egg-info/requires.txt +0 -0
- {moleditpy-0.3.0 → moleditpy-0.3.2}/src/moleditpy.egg-info/top_level.txt +0 -0
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@@ -1,6 +1,6 @@
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Metadata-Version: 2.4
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Name: moleditpy
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Version: 0.3.
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Version: 0.3.2
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Summary: A program to edit molecular structures using Python.
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Author-email: HiroYokoyama <titech.yoko.hiro@gmail.com>
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Project-URL: Homepage, https://github.com/HiroYokoyama/python_molecular_editor
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@@ -5,7 +5,7 @@ build-backend = "setuptools.build_meta"
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[project]
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name = "moleditpy"
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version = "0.3.
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version = "0.3.2"
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authors = [
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{ name="HiroYokoyama", email="titech.yoko.hiro@gmail.com" },
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@@ -45,4 +45,4 @@ Issues = "https://github.com/HiroYokoyama/python_molecular_editor/issues"
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moleditpy = "moleditpy.main:main"
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[tool.setuptools.package-data]
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"moleditpy" = ["assets
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"moleditpy" = ["assets/*"]
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Binary file
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@@ -87,7 +87,8 @@ def main():
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ctypes.windll.shell32.SetCurrentProcessExplicitAppUserModelID(myappid)
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app = QApplication(sys.argv)
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file_path = sys.argv[1] if len(sys.argv) > 1 else None
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window = MainWindow(initial_file=file_path)
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window.show()
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sys.exit(app.exec())
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@@ -1511,7 +1512,7 @@ class AnalysisWindow(QDialog):
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class MainWindow(QMainWindow):
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start_calculation = pyqtSignal(str)
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def __init__(self):
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def __init__(self, initial_file=None):
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super().__init__()
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self.setWindowTitle("moleditpy -- Python Molecular Editor by HY"); self.setGeometry(100, 100, 1400, 800)
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self.data = MolecularData(); self.current_mol = None
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QApplication.clipboard().dataChanged.connect(self.update_edit_menu_actions)
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self.update_edit_menu_actions()
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if initial_file:
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self.load_raw_data(file_path=initial_file)
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def init_ui(self):
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# 1. 現在のスクリプトがあるディレクトリのパスを取得
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script_dir = os.path.dirname(os.path.abspath(__file__))
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self.statusBar().showMessage(f"Project saved to {file_path}")
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except Exception as e: self.statusBar().showMessage(f"Error saving project file: {e}")
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def load_raw_data(self):
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def load_raw_data(self, file_path=None):
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if not file_path:
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options = QFileDialog.Option.DontUseNativeDialog
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file_path, _ = QFileDialog.getOpenFileName(self, "Open Project File", "", "Project Files (*.pmeraw);;All Files (*)", options=options)
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if not file_path: return
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try:
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with open(file_path, 'rb') as f: loaded_data = pickle.load(f)
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self.set_state_from_data(loaded_data)
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Metadata-Version: 2.4
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Name: moleditpy
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Version: 0.3.
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Version: 0.3.2
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Summary: A program to edit molecular structures using Python.
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Author-email: HiroYokoyama <titech.yoko.hiro@gmail.com>
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Project-URL: Homepage, https://github.com/HiroYokoyama/python_molecular_editor
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