MoleditPy 1.16.4__py3-none-any.whl → 1.17.1__py3-none-any.whl

moleditpy/__init__.py

@@ -1,3 +1,16 @@
+#!/usr/bin/env python3
+# -*- coding: utf-8 -*-
+
+"""
+MoleditPy — A Python-based molecular editing software
+
+Author: Hiromichi Yokoyama
+License: GPL-3.0 license
+Repo: https://github.com/HiroYokoyama/python_molecular_editor
+DOI: 10.5281/zenodo.17268532
+"""
+
+
 """Top-level package for moleditpy.
 
 """

moleditpy/__main__.py

@@ -7,7 +7,7 @@ MoleditPy — A Python-based molecular editing software
 Author: Hiromichi Yokoyama
 License: GPL-3.0 license
 Repo: https://github.com/HiroYokoyama/python_molecular_editor
-DOI 10.5281/zenodo.17268532
+DOI: 10.5281/zenodo.17268532
 """
 
 

moleditpy/main.py

@@ -7,7 +7,7 @@ MoleditPy — A Python-based molecular editing software
 Author: Hiromichi Yokoyama
 License: GPL-3.0 license
 Repo: https://github.com/HiroYokoyama/python_molecular_editor
-DOI 10.5281/zenodo.17268532
+DOI: 10.5281/zenodo.17268532
 """
 
 

moleditpy/modules/__init__.py

@@ -1,3 +1,16 @@
+#!/usr/bin/env python3
+# -*- coding: utf-8 -*-
+
+"""
+MoleditPy — A Python-based molecular editing software
+
+Author: Hiromichi Yokoyama
+License: GPL-3.0 license
+Repo: https://github.com/HiroYokoyama/python_molecular_editor
+DOI: 10.5281/zenodo.17268532
+"""
+
+
 # Open Babel Python binding (optional; required for fallback)
 # Do not import `pybel` at module import time. Only expose the presence
 # of Open Babel via `OBABEL_AVAILABLE`. Modules should import `pybel`

moleditpy/modules/about_dialog.py

@@ -1,3 +1,15 @@
+#!/usr/bin/env python3
+# -*- coding: utf-8 -*-
+
+"""
+MoleditPy — A Python-based molecular editing software
+
+Author: Hiromichi Yokoyama
+License: GPL-3.0 license
+Repo: https://github.com/HiroYokoyama/python_molecular_editor
+DOI: 10.5281/zenodo.17268532
+"""
+
 from PyQt6.QtWidgets import (
     QDialog, QVBoxLayout, QLabel, QPushButton, QHBoxLayout
 )

moleditpy/modules/align_plane_dialog.py

@@ -1,3 +1,15 @@
+#!/usr/bin/env python3
+# -*- coding: utf-8 -*-
+
+"""
+MoleditPy — A Python-based molecular editing software
+
+Author: Hiromichi Yokoyama
+License: GPL-3.0 license
+Repo: https://github.com/HiroYokoyama/python_molecular_editor
+DOI: 10.5281/zenodo.17268532
+"""
+
 from PyQt6.QtWidgets import (
     QDialog, QVBoxLayout, QLabel, QHBoxLayout, QPushButton, QMessageBox
 )

moleditpy/modules/alignment_dialog.py

@@ -1,3 +1,15 @@
+#!/usr/bin/env python3
+# -*- coding: utf-8 -*-
+
+"""
+MoleditPy — A Python-based molecular editing software
+
+Author: Hiromichi Yokoyama
+License: GPL-3.0 license
+Repo: https://github.com/HiroYokoyama/python_molecular_editor
+DOI: 10.5281/zenodo.17268532
+"""
+
 from PyQt6.QtWidgets import (
     QDialog, QVBoxLayout, QLabel, QHBoxLayout, QPushButton
 )

moleditpy/modules/analysis_window.py

@@ -1,3 +1,15 @@
+#!/usr/bin/env python3
+# -*- coding: utf-8 -*-
+
+"""
+MoleditPy — A Python-based molecular editing software
+
+Author: Hiromichi Yokoyama
+License: GPL-3.0 license
+Repo: https://github.com/HiroYokoyama/python_molecular_editor
+DOI: 10.5281/zenodo.17268532
+"""
+
 from PyQt6.QtWidgets import (
     QDialog, QVBoxLayout, QGridLayout, QLabel, QLineEdit, QPushButton, QApplication
 )

moleditpy/modules/angle_dialog.py

@@ -1,3 +1,15 @@
+#!/usr/bin/env python3
+# -*- coding: utf-8 -*-
+
+"""
+MoleditPy — A Python-based molecular editing software
+
+Author: Hiromichi Yokoyama
+License: GPL-3.0 license
+Repo: https://github.com/HiroYokoyama/python_molecular_editor
+DOI: 10.5281/zenodo.17268532
+"""
+
 from PyQt6.QtWidgets import (
     QDialog, QVBoxLayout, QLabel, QHBoxLayout, QPushButton, QLineEdit, QWidget, QRadioButton
 )

moleditpy/modules/atom_item.py

@@ -1,3 +1,15 @@
+#!/usr/bin/env python3
+# -*- coding: utf-8 -*-
+
+"""
+MoleditPy — A Python-based molecular editing software
+
+Author: Hiromichi Yokoyama
+License: GPL-3.0 license
+Repo: https://github.com/HiroYokoyama/python_molecular_editor
+DOI: 10.5281/zenodo.17268532
+"""
+
 from PyQt6.QtWidgets import QGraphicsItem
 
 from PyQt6.QtGui import (

moleditpy/modules/bond_item.py

@@ -1,3 +1,15 @@
+#!/usr/bin/env python3
+# -*- coding: utf-8 -*-
+
+"""
+MoleditPy — A Python-based molecular editing software
+
+Author: Hiromichi Yokoyama
+License: GPL-3.0 license
+Repo: https://github.com/HiroYokoyama/python_molecular_editor
+DOI: 10.5281/zenodo.17268532
+"""
+
 from PyQt6.QtWidgets import QGraphicsItem, QGraphicsScene
 
 from PyQt6.QtGui import (

moleditpy/modules/bond_length_dialog.py

@@ -1,3 +1,15 @@
+#!/usr/bin/env python3
+# -*- coding: utf-8 -*-
+
+"""
+MoleditPy — A Python-based molecular editing software
+
+Author: Hiromichi Yokoyama
+License: GPL-3.0 license
+Repo: https://github.com/HiroYokoyama/python_molecular_editor
+DOI: 10.5281/zenodo.17268532
+"""
+
 from PyQt6.QtWidgets import (
     QDialog, QVBoxLayout, QLabel, QHBoxLayout, QPushButton, QLineEdit, QWidget, QRadioButton, QMessageBox
 )

moleditpy/modules/calculation_worker.py

@@ -1,3 +1,15 @@
+#!/usr/bin/env python3
+# -*- coding: utf-8 -*-
+
+"""
+MoleditPy — A Python-based molecular editing software
+
+Author: Hiromichi Yokoyama
+License: GPL-3.0 license
+Repo: https://github.com/HiroYokoyama/python_molecular_editor
+DOI: 10.5281/zenodo.17268532
+"""
+
 from PyQt6.QtCore import QObject
 
 from PyQt6.QtCore import pyqtSignal, pyqtSlot

moleditpy/modules/color_settings_dialog.py

@@ -1,3 +1,15 @@
+#!/usr/bin/env python3
+# -*- coding: utf-8 -*-
+
+"""
+MoleditPy — A Python-based molecular editing software
+
+Author: Hiromichi Yokoyama
+License: GPL-3.0 license
+Repo: https://github.com/HiroYokoyama/python_molecular_editor
+DOI: 10.5281/zenodo.17268532
+"""
+
 from PyQt6.QtWidgets import (
     QDialog, QVBoxLayout, QGridLayout, QPushButton, QHBoxLayout, QLabel,
     QApplication, QColorDialog

moleditpy/modules/constants.py

@@ -1,10 +1,22 @@
+#!/usr/bin/env python3
+# -*- coding: utf-8 -*-
+
+"""
+MoleditPy — A Python-based molecular editing software
+
+Author: Hiromichi Yokoyama
+License: GPL-3.0 license
+Repo: https://github.com/HiroYokoyama/python_molecular_editor
+DOI: 10.5281/zenodo.17268532
+"""
+
 # --- Constants ---
 
 from PyQt6.QtGui import QFont, QColor
 from rdkit import Chem
 
 #Version
-VERSION = '1.16.4'
+VERSION = '1.17.1'
 
 ATOM_RADIUS = 18
 BOND_OFFSET = 3.5

moleditpy/modules/constrained_optimization_dialog.py

@@ -1,3 +1,15 @@
+#!/usr/bin/env python3
+# -*- coding: utf-8 -*-
+
+"""
+MoleditPy — A Python-based molecular editing software
+
+Author: Hiromichi Yokoyama
+License: GPL-3.0 license
+Repo: https://github.com/HiroYokoyama/python_molecular_editor
+DOI: 10.5281/zenodo.17268532
+"""
+
 from PyQt6.QtWidgets import (
     QDialog, QVBoxLayout, QLabel, QFormLayout, QComboBox, QLineEdit, QTableWidget, QTableWidgetItem, QHBoxLayout,
     QPushButton, QMessageBox, QAbstractItemView

moleditpy/modules/custom_interactor_style.py

@@ -1,3 +1,15 @@
+#!/usr/bin/env python3
+# -*- coding: utf-8 -*-
+
+"""
+MoleditPy — A Python-based molecular editing software
+
+Author: Hiromichi Yokoyama
+License: GPL-3.0 license
+Repo: https://github.com/HiroYokoyama/python_molecular_editor
+DOI: 10.5281/zenodo.17268532
+"""
+
 import numpy as np
 
 from vtkmodules.vtkInteractionStyle import vtkInteractorStyleTrackballCamera

moleditpy/modules/custom_qt_interactor.py

@@ -1,6 +1,16 @@
-from pyvistaqt import QtInteractor
+#!/usr/bin/env python3
+# -*- coding: utf-8 -*-
+
+"""
+MoleditPy — A Python-based molecular editing software
 
+Author: Hiromichi Yokoyama
+License: GPL-3.0 license
+Repo: https://github.com/HiroYokoyama/python_molecular_editor
+DOI: 10.5281/zenodo.17268532
+"""
 
+from pyvistaqt import QtInteractor
 
 
 class CustomQtInteractor(QtInteractor):

moleditpy/modules/dialog3_d_picking_mixin.py

@@ -1,3 +1,15 @@
+#!/usr/bin/env python3
+# -*- coding: utf-8 -*-
+
+"""
+MoleditPy — A Python-based molecular editing software
+
+Author: Hiromichi Yokoyama
+License: GPL-3.0 license
+Repo: https://github.com/HiroYokoyama/python_molecular_editor
+DOI: 10.5281/zenodo.17268532
+"""
+
 from PyQt6.QtCore import Qt, QEvent
 import numpy as np
 try:

moleditpy/modules/dihedral_dialog.py

@@ -1,3 +1,15 @@
+#!/usr/bin/env python3
+# -*- coding: utf-8 -*-
+
+"""
+MoleditPy — A Python-based molecular editing software
+
+Author: Hiromichi Yokoyama
+License: GPL-3.0 license
+Repo: https://github.com/HiroYokoyama/python_molecular_editor
+DOI: 10.5281/zenodo.17268532
+"""
+
 from PyQt6.QtWidgets import (
     QDialog, QVBoxLayout, QLabel, QHBoxLayout, QPushButton, QLineEdit, QWidget, QRadioButton
 )

moleditpy/modules/main_window.py

@@ -7,7 +7,7 @@ MoleditPy — A Python-based molecular editing software
 Author: Hiromichi Yokoyama
 License: GPL-3.0 license
 Repo: https://github.com/HiroYokoyama/python_molecular_editor
-DOI 10.5281/zenodo.17268532
+DOI: 10.5281/zenodo.17268532
 """
 
 import traceback

moleditpy/modules/main_window_app_state.py

@@ -1,6 +1,15 @@
 #!/usr/bin/env python3
 # -*- coding: utf-8 -*-
 
+"""
+MoleditPy — A Python-based molecular editing software
+
+Author: Hiromichi Yokoyama
+License: GPL-3.0 license
+Repo: https://github.com/HiroYokoyama/python_molecular_editor
+DOI: 10.5281/zenodo.17268532
+"""
+
 """
 main_window_app_state.py
 MainWindow (main_window.py) から分離されたモジュール

moleditpy/modules/main_window_compute.py

@@ -1,6 +1,15 @@
 #!/usr/bin/env python3
 # -*- coding: utf-8 -*-
 
+"""
+MoleditPy — A Python-based molecular editing software
+
+Author: Hiromichi Yokoyama
+License: GPL-3.0 license
+Repo: https://github.com/HiroYokoyama/python_molecular_editor
+DOI: 10.5281/zenodo.17268532
+"""
+
 """
 main_window_compute.py
 MainWindow (main_window.py) から分離されたモジュール

moleditpy/modules/main_window_dialog_manager.py

@@ -1,6 +1,16 @@
 #!/usr/bin/env python3
 # -*- coding: utf-8 -*-
 
+"""
+MoleditPy — A Python-based molecular editing software
+
+Author: Hiromichi Yokoyama
+License: GPL-3.0 license
+Repo: https://github.com/HiroYokoyama/python_molecular_editor
+DOI: 10.5281/zenodo.17268532
+"""
+
+
 """
 main_window_dialog_manager.py
 MainWindow (main_window.py) から分離されたモジュール

moleditpy/modules/main_window_edit_3d.py

@@ -1,6 +1,15 @@
 #!/usr/bin/env python3
 # -*- coding: utf-8 -*-
 
+"""
+MoleditPy — A Python-based molecular editing software
+
+Author: Hiromichi Yokoyama
+License: GPL-3.0 license
+Repo: https://github.com/HiroYokoyama/python_molecular_editor
+DOI: 10.5281/zenodo.17268532
+"""
+
 """
 main_window_edit_3d.py
 MainWindow (main_window.py) から分離されたモジュール

moleditpy/modules/main_window_edit_actions.py

@@ -1,6 +1,16 @@
 #!/usr/bin/env python3
 # -*- coding: utf-8 -*-
 
+"""
+MoleditPy — A Python-based molecular editing software
+
+Author: Hiromichi Yokoyama
+License: GPL-3.0 license
+Repo: https://github.com/HiroYokoyama/python_molecular_editor
+DOI: 10.5281/zenodo.17268532
+"""
+
+
 """
 main_window_edit_actions.py
 MainWindow (main_window.py) から分離されたモジュール

moleditpy/modules/main_window_export.py

@@ -1,6 +1,15 @@
 #!/usr/bin/env python3
 # -*- coding: utf-8 -*-
 
+"""
+MoleditPy — A Python-based molecular editing software
+
+Author: Hiromichi Yokoyama
+License: GPL-3.0 license
+Repo: https://github.com/HiroYokoyama/python_molecular_editor
+DOI: 10.5281/zenodo.17268532
+"""
+
 """
 main_window_export.py
 MainWindow (main_window.py) から分離されたモジュール

moleditpy/modules/main_window_main_init.py

@@ -1,6 +1,15 @@
 #!/usr/bin/env python3
 # -*- coding: utf-8 -*-
 
+"""
+MoleditPy — A Python-based molecular editing software
+
+Author: Hiromichi Yokoyama
+License: GPL-3.0 license
+Repo: https://github.com/HiroYokoyama/python_molecular_editor
+DOI: 10.5281/zenodo.17268532
+"""
+
 """
 main_window_main_init.py
 MainWindow (main_window.py) から分離されたモジュール

moleditpy/modules/main_window_molecular_parsers.py

@@ -1,6 +1,16 @@
 #!/usr/bin/env python3
 # -*- coding: utf-8 -*-
 
+"""
+MoleditPy — A Python-based molecular editing software
+
+Author: Hiromichi Yokoyama
+License: GPL-3.0 license
+Repo: https://github.com/HiroYokoyama/python_molecular_editor
+DOI: 10.5281/zenodo.17268532
+"""
+
+
 """
 main_window_molecular_parsers.py
 MainWindow (main_window.py) から分離されたモジュール

moleditpy/modules/main_window_project_io.py

@@ -1,6 +1,15 @@
 #!/usr/bin/env python3
 # -*- coding: utf-8 -*-
 
+"""
+MoleditPy — A Python-based molecular editing software
+
+Author: Hiromichi Yokoyama
+License: GPL-3.0 license
+Repo: https://github.com/HiroYokoyama/python_molecular_editor
+DOI: 10.5281/zenodo.17268532
+"""
+
 """
 main_window_project_io.py
 MainWindow (main_window.py) から分離されたモジュール

moleditpy/modules/main_window_string_importers.py

@@ -1,6 +1,15 @@
 #!/usr/bin/env python3
 # -*- coding: utf-8 -*-
 
+"""
+MoleditPy — A Python-based molecular editing software
+
+Author: Hiromichi Yokoyama
+License: GPL-3.0 license
+Repo: https://github.com/HiroYokoyama/python_molecular_editor
+DOI: 10.5281/zenodo.17268532
+"""
+
 """
 main_window_string_importers.py
 MainWindow (main_window.py) から分離されたモジュール

moleditpy/modules/main_window_ui_manager.py

@@ -1,6 +1,15 @@
 #!/usr/bin/env python3
 # -*- coding: utf-8 -*-
 
+"""
+MoleditPy — A Python-based molecular editing software
+
+Author: Hiromichi Yokoyama
+License: GPL-3.0 license
+Repo: https://github.com/HiroYokoyama/python_molecular_editor
+DOI: 10.5281/zenodo.17268532
+"""
+
 """
 main_window_ui_manager.py
 MainWindow (main_window.py) から分離されたモジュール

moleditpy/modules/main_window_view_3d.py

@@ -1,6 +1,15 @@
 #!/usr/bin/env python3
 # -*- coding: utf-8 -*-
 
+"""
+MoleditPy — A Python-based molecular editing software
+
+Author: Hiromichi Yokoyama
+License: GPL-3.0 license
+Repo: https://github.com/HiroYokoyama/python_molecular_editor
+DOI: 10.5281/zenodo.17268532
+"""
+
 """
 main_window_view_3d.py
 MainWindow (main_window.py) から分離されたモジュール

moleditpy/modules/main_window_view_loaders.py

@@ -1,6 +1,15 @@
 #!/usr/bin/env python3
 # -*- coding: utf-8 -*-
 
+"""
+MoleditPy — A Python-based molecular editing software
+
+Author: Hiromichi Yokoyama
+License: GPL-3.0 license
+Repo: https://github.com/HiroYokoyama/python_molecular_editor
+DOI: 10.5281/zenodo.17268532
+"""
+
 """
 main_window_view_loaders.py
 MainWindow (main_window.py) から分離されたモジュール

moleditpy/modules/mirror_dialog.py

@@ -1,3 +1,15 @@
+#!/usr/bin/env python3
+# -*- coding: utf-8 -*-
+
+"""
+MoleditPy — A Python-based molecular editing software
+
+Author: Hiromichi Yokoyama
+License: GPL-3.0 license
+Repo: https://github.com/HiroYokoyama/python_molecular_editor
+DOI: 10.5281/zenodo.17268532
+"""
+
 from PyQt6.QtWidgets import (
     QDialog, QVBoxLayout, QLabel, QButtonGroup, QRadioButton,
     QHBoxLayout, QPushButton, QMessageBox

moleditpy/modules/molecular_data.py

@@ -1,3 +1,15 @@
+#!/usr/bin/env python3
+# -*- coding: utf-8 -*-
+
+"""
+MoleditPy — A Python-based molecular editing software
+
+Author: Hiromichi Yokoyama
+License: GPL-3.0 license
+Repo: https://github.com/HiroYokoyama/python_molecular_editor
+DOI: 10.5281/zenodo.17268532
+"""
+
 from rdkit import Chem
 import traceback
 

moleditpy/modules/molecule_scene.py

@@ -1,3 +1,15 @@
+#!/usr/bin/env python3
+# -*- coding: utf-8 -*-
+
+"""
+MoleditPy — A Python-based molecular editing software
+
+Author: Hiromichi Yokoyama
+License: GPL-3.0 license
+Repo: https://github.com/HiroYokoyama/python_molecular_editor
+DOI: 10.5281/zenodo.17268532
+"""
+
 import traceback
 
 from PyQt6.QtWidgets import (

moleditpy/modules/move_group_dialog.py

@@ -1,3 +1,15 @@
+#!/usr/bin/env python3
+# -*- coding: utf-8 -*-
+
+"""
+MoleditPy — A Python-based molecular editing software
+
+Author: Hiromichi Yokoyama
+License: GPL-3.0 license
+Repo: https://github.com/HiroYokoyama/python_molecular_editor
+DOI: 10.5281/zenodo.17268532
+"""
+
 from PyQt6.QtWidgets import (
     QDialog, QVBoxLayout, QLabel, QGridLayout, QHBoxLayout, QPushButton, QLineEdit, QMessageBox
 )

moleditpy/modules/periodic_table_dialog.py

@@ -1,3 +1,15 @@
+#!/usr/bin/env python3
+# -*- coding: utf-8 -*-
+
+"""
+MoleditPy — A Python-based molecular editing software
+
+Author: Hiromichi Yokoyama
+License: GPL-3.0 license
+Repo: https://github.com/HiroYokoyama/python_molecular_editor
+DOI: 10.5281/zenodo.17268532
+"""
+
 from PyQt6.QtWidgets import QDialog, QGridLayout, QPushButton
 from PyQt6.QtGui import QColor
 try:

moleditpy/modules/planarize_dialog.py

@@ -1,3 +1,15 @@
+#!/usr/bin/env python3
+# -*- coding: utf-8 -*-
+
+"""
+MoleditPy — A Python-based molecular editing software
+
+Author: Hiromichi Yokoyama
+License: GPL-3.0 license
+Repo: https://github.com/HiroYokoyama/python_molecular_editor
+DOI: 10.5281/zenodo.17268532
+"""
+
 from PyQt6.QtWidgets import (
     QDialog, QVBoxLayout, QLabel, QHBoxLayout, QPushButton, QMessageBox
 )