MoleditPy-linux 3.6.4__tar.gz → 3.6.6__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.
Files changed (79) hide show
  1. {moleditpy_linux-3.6.4 → moleditpy_linux-3.6.6}/PKG-INFO +1 -1
  2. {moleditpy_linux-3.6.4 → moleditpy_linux-3.6.6}/pyproject.toml +1 -1
  3. {moleditpy_linux-3.6.4 → moleditpy_linux-3.6.6}/src/MoleditPy_linux.egg-info/PKG-INFO +1 -1
  4. {moleditpy_linux-3.6.4 → moleditpy_linux-3.6.6}/src/moleditpy_linux/ui/io_logic.py +1 -1
  5. {moleditpy_linux-3.6.4 → moleditpy_linux-3.6.6}/LICENSE +0 -0
  6. {moleditpy_linux-3.6.4 → moleditpy_linux-3.6.6}/README.md +0 -0
  7. {moleditpy_linux-3.6.4 → moleditpy_linux-3.6.6}/setup.cfg +0 -0
  8. {moleditpy_linux-3.6.4 → moleditpy_linux-3.6.6}/src/MoleditPy_linux.egg-info/SOURCES.txt +0 -0
  9. {moleditpy_linux-3.6.4 → moleditpy_linux-3.6.6}/src/MoleditPy_linux.egg-info/dependency_links.txt +0 -0
  10. {moleditpy_linux-3.6.4 → moleditpy_linux-3.6.6}/src/MoleditPy_linux.egg-info/entry_points.txt +0 -0
  11. {moleditpy_linux-3.6.4 → moleditpy_linux-3.6.6}/src/MoleditPy_linux.egg-info/requires.txt +0 -0
  12. {moleditpy_linux-3.6.4 → moleditpy_linux-3.6.6}/src/MoleditPy_linux.egg-info/top_level.txt +0 -0
  13. {moleditpy_linux-3.6.4 → moleditpy_linux-3.6.6}/src/moleditpy_linux/__init__.py +0 -0
  14. {moleditpy_linux-3.6.4 → moleditpy_linux-3.6.6}/src/moleditpy_linux/__main__.py +0 -0
  15. {moleditpy_linux-3.6.4 → moleditpy_linux-3.6.6}/src/moleditpy_linux/assets/file_icon.ico +0 -0
  16. {moleditpy_linux-3.6.4 → moleditpy_linux-3.6.6}/src/moleditpy_linux/assets/icon.icns +0 -0
  17. {moleditpy_linux-3.6.4 → moleditpy_linux-3.6.6}/src/moleditpy_linux/assets/icon.ico +0 -0
  18. {moleditpy_linux-3.6.4 → moleditpy_linux-3.6.6}/src/moleditpy_linux/assets/icon.png +0 -0
  19. {moleditpy_linux-3.6.4 → moleditpy_linux-3.6.6}/src/moleditpy_linux/core/__init__.py +0 -0
  20. {moleditpy_linux-3.6.4 → moleditpy_linux-3.6.6}/src/moleditpy_linux/core/mol_geometry.py +0 -0
  21. {moleditpy_linux-3.6.4 → moleditpy_linux-3.6.6}/src/moleditpy_linux/core/molecular_data.py +0 -0
  22. {moleditpy_linux-3.6.4 → moleditpy_linux-3.6.6}/src/moleditpy_linux/main.py +0 -0
  23. {moleditpy_linux-3.6.4 → moleditpy_linux-3.6.6}/src/moleditpy_linux/plugins/__init__.py +0 -0
  24. {moleditpy_linux-3.6.4 → moleditpy_linux-3.6.6}/src/moleditpy_linux/plugins/plugin_interface.py +0 -0
  25. {moleditpy_linux-3.6.4 → moleditpy_linux-3.6.6}/src/moleditpy_linux/plugins/plugin_manager.py +0 -0
  26. {moleditpy_linux-3.6.4 → moleditpy_linux-3.6.6}/src/moleditpy_linux/plugins/plugin_manager_window.py +0 -0
  27. {moleditpy_linux-3.6.4 → moleditpy_linux-3.6.6}/src/moleditpy_linux/ui/__init__.py +0 -0
  28. {moleditpy_linux-3.6.4 → moleditpy_linux-3.6.6}/src/moleditpy_linux/ui/about_dialog.py +0 -0
  29. {moleditpy_linux-3.6.4 → moleditpy_linux-3.6.6}/src/moleditpy_linux/ui/align_plane_dialog.py +0 -0
  30. {moleditpy_linux-3.6.4 → moleditpy_linux-3.6.6}/src/moleditpy_linux/ui/alignment_dialog.py +0 -0
  31. {moleditpy_linux-3.6.4 → moleditpy_linux-3.6.6}/src/moleditpy_linux/ui/analysis_window.py +0 -0
  32. {moleditpy_linux-3.6.4 → moleditpy_linux-3.6.6}/src/moleditpy_linux/ui/angle_dialog.py +0 -0
  33. {moleditpy_linux-3.6.4 → moleditpy_linux-3.6.6}/src/moleditpy_linux/ui/app_state.py +0 -0
  34. {moleditpy_linux-3.6.4 → moleditpy_linux-3.6.6}/src/moleditpy_linux/ui/atom_item.py +0 -0
  35. {moleditpy_linux-3.6.4 → moleditpy_linux-3.6.6}/src/moleditpy_linux/ui/atom_picking.py +0 -0
  36. {moleditpy_linux-3.6.4 → moleditpy_linux-3.6.6}/src/moleditpy_linux/ui/base_picking_dialog.py +0 -0
  37. {moleditpy_linux-3.6.4 → moleditpy_linux-3.6.6}/src/moleditpy_linux/ui/bond_item.py +0 -0
  38. {moleditpy_linux-3.6.4 → moleditpy_linux-3.6.6}/src/moleditpy_linux/ui/bond_length_dialog.py +0 -0
  39. {moleditpy_linux-3.6.4 → moleditpy_linux-3.6.6}/src/moleditpy_linux/ui/calculation_worker.py +0 -0
  40. {moleditpy_linux-3.6.4 → moleditpy_linux-3.6.6}/src/moleditpy_linux/ui/color_settings_dialog.py +0 -0
  41. {moleditpy_linux-3.6.4 → moleditpy_linux-3.6.6}/src/moleditpy_linux/ui/compute_logic.py +0 -0
  42. {moleditpy_linux-3.6.4 → moleditpy_linux-3.6.6}/src/moleditpy_linux/ui/constrained_optimization_dialog.py +0 -0
  43. {moleditpy_linux-3.6.4 → moleditpy_linux-3.6.6}/src/moleditpy_linux/ui/custom_interactor_style.py +0 -0
  44. {moleditpy_linux-3.6.4 → moleditpy_linux-3.6.6}/src/moleditpy_linux/ui/custom_qt_interactor.py +0 -0
  45. {moleditpy_linux-3.6.4 → moleditpy_linux-3.6.6}/src/moleditpy_linux/ui/dialog_3d_picking_mixin.py +0 -0
  46. {moleditpy_linux-3.6.4 → moleditpy_linux-3.6.6}/src/moleditpy_linux/ui/dialog_logic.py +0 -0
  47. {moleditpy_linux-3.6.4 → moleditpy_linux-3.6.6}/src/moleditpy_linux/ui/dihedral_dialog.py +0 -0
  48. {moleditpy_linux-3.6.4 → moleditpy_linux-3.6.6}/src/moleditpy_linux/ui/edit_3d_logic.py +0 -0
  49. {moleditpy_linux-3.6.4 → moleditpy_linux-3.6.6}/src/moleditpy_linux/ui/edit_actions_logic.py +0 -0
  50. {moleditpy_linux-3.6.4 → moleditpy_linux-3.6.6}/src/moleditpy_linux/ui/export_logic.py +0 -0
  51. {moleditpy_linux-3.6.4 → moleditpy_linux-3.6.6}/src/moleditpy_linux/ui/geometry_base_dialog.py +0 -0
  52. {moleditpy_linux-3.6.4 → moleditpy_linux-3.6.6}/src/moleditpy_linux/ui/main_window.py +0 -0
  53. {moleditpy_linux-3.6.4 → moleditpy_linux-3.6.6}/src/moleditpy_linux/ui/main_window_init.py +0 -0
  54. {moleditpy_linux-3.6.4 → moleditpy_linux-3.6.6}/src/moleditpy_linux/ui/mirror_dialog.py +0 -0
  55. {moleditpy_linux-3.6.4 → moleditpy_linux-3.6.6}/src/moleditpy_linux/ui/molecular_scene_handler.py +0 -0
  56. {moleditpy_linux-3.6.4 → moleditpy_linux-3.6.6}/src/moleditpy_linux/ui/molecule_scene.py +0 -0
  57. {moleditpy_linux-3.6.4 → moleditpy_linux-3.6.6}/src/moleditpy_linux/ui/move_group_dialog.py +0 -0
  58. {moleditpy_linux-3.6.4 → moleditpy_linux-3.6.6}/src/moleditpy_linux/ui/move_selected_atoms_dialog.py +0 -0
  59. {moleditpy_linux-3.6.4 → moleditpy_linux-3.6.6}/src/moleditpy_linux/ui/periodic_table_dialog.py +0 -0
  60. {moleditpy_linux-3.6.4 → moleditpy_linux-3.6.6}/src/moleditpy_linux/ui/planarize_dialog.py +0 -0
  61. {moleditpy_linux-3.6.4 → moleditpy_linux-3.6.6}/src/moleditpy_linux/ui/settings_dialog.py +0 -0
  62. {moleditpy_linux-3.6.4 → moleditpy_linux-3.6.6}/src/moleditpy_linux/ui/settings_tabs/__init__.py +0 -0
  63. {moleditpy_linux-3.6.4 → moleditpy_linux-3.6.6}/src/moleditpy_linux/ui/settings_tabs/settings_2d_tab.py +0 -0
  64. {moleditpy_linux-3.6.4 → moleditpy_linux-3.6.6}/src/moleditpy_linux/ui/settings_tabs/settings_3d_tabs.py +0 -0
  65. {moleditpy_linux-3.6.4 → moleditpy_linux-3.6.6}/src/moleditpy_linux/ui/settings_tabs/settings_other_tab.py +0 -0
  66. {moleditpy_linux-3.6.4 → moleditpy_linux-3.6.6}/src/moleditpy_linux/ui/settings_tabs/settings_tab_base.py +0 -0
  67. {moleditpy_linux-3.6.4 → moleditpy_linux-3.6.6}/src/moleditpy_linux/ui/string_importers.py +0 -0
  68. {moleditpy_linux-3.6.4 → moleditpy_linux-3.6.6}/src/moleditpy_linux/ui/template_preview_item.py +0 -0
  69. {moleditpy_linux-3.6.4 → moleditpy_linux-3.6.6}/src/moleditpy_linux/ui/template_preview_view.py +0 -0
  70. {moleditpy_linux-3.6.4 → moleditpy_linux-3.6.6}/src/moleditpy_linux/ui/translation_dialog.py +0 -0
  71. {moleditpy_linux-3.6.4 → moleditpy_linux-3.6.6}/src/moleditpy_linux/ui/ui_manager.py +0 -0
  72. {moleditpy_linux-3.6.4 → moleditpy_linux-3.6.6}/src/moleditpy_linux/ui/user_template_dialog.py +0 -0
  73. {moleditpy_linux-3.6.4 → moleditpy_linux-3.6.6}/src/moleditpy_linux/ui/view_3d_logic.py +0 -0
  74. {moleditpy_linux-3.6.4 → moleditpy_linux-3.6.6}/src/moleditpy_linux/ui/zoomable_view.py +0 -0
  75. {moleditpy_linux-3.6.4 → moleditpy_linux-3.6.6}/src/moleditpy_linux/utils/__init__.py +0 -0
  76. {moleditpy_linux-3.6.4 → moleditpy_linux-3.6.6}/src/moleditpy_linux/utils/constants.py +0 -0
  77. {moleditpy_linux-3.6.4 → moleditpy_linux-3.6.6}/src/moleditpy_linux/utils/default_settings.py +0 -0
  78. {moleditpy_linux-3.6.4 → moleditpy_linux-3.6.6}/src/moleditpy_linux/utils/sip_isdeleted_safe.py +0 -0
  79. {moleditpy_linux-3.6.4 → moleditpy_linux-3.6.6}/src/moleditpy_linux/utils/system_utils.py +0 -0
{moleditpy_linux-3.6.4 → moleditpy_linux-3.6.6}/PKG-INFO RENAMED
@@ -1,6 +1,6 @@
1
1
  Metadata-Version: 2.4
2
2
  Name: MoleditPy-linux
3
- Version: 3.6.4
3
+ Version: 3.6.6
4
4
  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.
5
5
  Author-email: HiroYokoyama <titech.yoko.hiro@gmail.com>
6
6
  License: GNU GENERAL PUBLIC LICENSE
{moleditpy_linux-3.6.4 → moleditpy_linux-3.6.6}/pyproject.toml RENAMED
@@ -5,7 +5,7 @@ build-backend = "setuptools.build_meta"
5
5
  [project]
6
6
  name = "MoleditPy-linux"
7
7
 
8
- version = "3.6.4"
8
+ version = "3.6.6"
9
9
 
10
10
  license = {file = "LICENSE"}
11
11
 
{moleditpy_linux-3.6.4 → moleditpy_linux-3.6.6}/src/MoleditPy_linux.egg-info/PKG-INFO RENAMED
@@ -1,6 +1,6 @@
1
1
  Metadata-Version: 2.4
2
2
  Name: MoleditPy-linux
3
- Version: 3.6.4
3
+ Version: 3.6.6
4
4
  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.
5
5
  Author-email: HiroYokoyama <titech.yoko.hiro@gmail.com>
6
6
  License: GNU GENERAL PUBLIC LICENSE
{moleditpy_linux-3.6.4 → moleditpy_linux-3.6.6}/src/moleditpy_linux/ui/io_logic.py RENAMED
@@ -942,7 +942,7 @@ class IOManager:
942
942
  symbol = self.host.view_3d_manager.current_mol.GetAtomWithIdx(
943
943
  i
944
944
  ).GetSymbol()
945
- xyz_lines.append(f"{symbol} {pos.x:.6f} {pos.y:.6f} {pos.z:.6f}")
945
+ xyz_lines.append(f" {symbol:<5}{pos.x:>15.8f}{pos.y:>15.8f}{pos.z:>15.8f}")
946
946
 
947
947
  with open(file_path, "w", encoding="utf-8") as f:
948
948
  f.write("\n".join(xyz_lines) + "\n")
{moleditpy_linux-3.6.4 → moleditpy_linux-3.6.6}/LICENSE RENAMED
File without changes