MoleditPy-linux 1.16.1a1__py3-none-any.whl → 1.16.1a3__py3-none-any.whl

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 (56) hide show
  1. moleditpy_linux/modules/assets/icon.icns +0 -0
  2. moleditpy_linux/modules/assets/icon.ico +0 -0
  3. moleditpy_linux/modules/assets/icon.png +0 -0
  4. {moleditpy-linux → moleditpy_linux}/modules/constants.py +1 -1
  5. {moleditpy-linux → moleditpy_linux}/modules/main_window_main_init.py +27 -26
  6. {moleditpy_linux-1.16.1a1.dist-info → moleditpy_linux-1.16.1a3.dist-info}/METADATA +1 -1
  7. moleditpy_linux-1.16.1a3.dist-info/RECORD +54 -0
  8. moleditpy_linux-1.16.1a3.dist-info/top_level.txt +1 -0
  9. moleditpy_linux-1.16.1a1.dist-info/RECORD +0 -51
  10. moleditpy_linux-1.16.1a1.dist-info/top_level.txt +0 -1
  11. {moleditpy-linux → moleditpy_linux}/__init__.py +0 -0
  12. {moleditpy-linux → moleditpy_linux}/__main__.py +0 -0
  13. {moleditpy-linux → moleditpy_linux}/main.py +0 -0
  14. {moleditpy-linux → moleditpy_linux}/modules/__init__.py +0 -0
  15. {moleditpy-linux → moleditpy_linux}/modules/about_dialog.py +0 -0
  16. {moleditpy-linux → moleditpy_linux}/modules/align_plane_dialog.py +0 -0
  17. {moleditpy-linux → moleditpy_linux}/modules/alignment_dialog.py +0 -0
  18. {moleditpy-linux → moleditpy_linux}/modules/analysis_window.py +0 -0
  19. {moleditpy-linux → moleditpy_linux}/modules/angle_dialog.py +0 -0
  20. {moleditpy-linux → moleditpy_linux}/modules/atom_item.py +0 -0
  21. {moleditpy-linux → moleditpy_linux}/modules/bond_item.py +0 -0
  22. {moleditpy-linux → moleditpy_linux}/modules/bond_length_dialog.py +0 -0
  23. {moleditpy-linux → moleditpy_linux}/modules/calculation_worker.py +0 -0
  24. {moleditpy-linux → moleditpy_linux}/modules/color_settings_dialog.py +0 -0
  25. {moleditpy-linux → moleditpy_linux}/modules/constrained_optimization_dialog.py +0 -0
  26. {moleditpy-linux → moleditpy_linux}/modules/custom_interactor_style.py +0 -0
  27. {moleditpy-linux → moleditpy_linux}/modules/custom_qt_interactor.py +0 -0
  28. {moleditpy-linux → moleditpy_linux}/modules/dialog3_d_picking_mixin.py +0 -0
  29. {moleditpy-linux → moleditpy_linux}/modules/dihedral_dialog.py +0 -0
  30. {moleditpy-linux → moleditpy_linux}/modules/main_window.py +0 -0
  31. {moleditpy-linux → moleditpy_linux}/modules/main_window_app_state.py +0 -0
  32. {moleditpy-linux → moleditpy_linux}/modules/main_window_compute.py +0 -0
  33. {moleditpy-linux → moleditpy_linux}/modules/main_window_dialog_manager.py +0 -0
  34. {moleditpy-linux → moleditpy_linux}/modules/main_window_edit_3d.py +0 -0
  35. {moleditpy-linux → moleditpy_linux}/modules/main_window_edit_actions.py +0 -0
  36. {moleditpy-linux → moleditpy_linux}/modules/main_window_export.py +0 -0
  37. {moleditpy-linux → moleditpy_linux}/modules/main_window_molecular_parsers.py +0 -0
  38. {moleditpy-linux → moleditpy_linux}/modules/main_window_project_io.py +0 -0
  39. {moleditpy-linux → moleditpy_linux}/modules/main_window_string_importers.py +0 -0
  40. {moleditpy-linux → moleditpy_linux}/modules/main_window_ui_manager.py +0 -0
  41. {moleditpy-linux → moleditpy_linux}/modules/main_window_view_3d.py +0 -0
  42. {moleditpy-linux → moleditpy_linux}/modules/main_window_view_loaders.py +0 -0
  43. {moleditpy-linux → moleditpy_linux}/modules/mirror_dialog.py +0 -0
  44. {moleditpy-linux → moleditpy_linux}/modules/molecular_data.py +0 -0
  45. {moleditpy-linux → moleditpy_linux}/modules/molecule_scene.py +0 -0
  46. {moleditpy-linux → moleditpy_linux}/modules/move_group_dialog.py +0 -0
  47. {moleditpy-linux → moleditpy_linux}/modules/periodic_table_dialog.py +0 -0
  48. {moleditpy-linux → moleditpy_linux}/modules/planarize_dialog.py +0 -0
  49. {moleditpy-linux → moleditpy_linux}/modules/settings_dialog.py +0 -0
  50. {moleditpy-linux → moleditpy_linux}/modules/template_preview_item.py +0 -0
  51. {moleditpy-linux → moleditpy_linux}/modules/template_preview_view.py +0 -0
  52. {moleditpy-linux → moleditpy_linux}/modules/translation_dialog.py +0 -0
  53. {moleditpy-linux → moleditpy_linux}/modules/user_template_dialog.py +0 -0
  54. {moleditpy-linux → moleditpy_linux}/modules/zoomable_view.py +0 -0
  55. {moleditpy_linux-1.16.1a1.dist-info → moleditpy_linux-1.16.1a3.dist-info}/WHEEL +0 -0
  56. {moleditpy_linux-1.16.1a1.dist-info → moleditpy_linux-1.16.1a3.dist-info}/entry_points.txt +0 -0
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@@ -4,7 +4,7 @@ from PyQt6.QtGui import QFont, QColor
4
4
  from rdkit import Chem
5
5
 
6
6
  #Version
7
- VERSION = '1.16.1a1'
7
+ VERSION = '1.16.1a3'
8
8
 
9
9
  ATOM_RADIUS = 18
10
10
  BOND_OFFSET = 3.5
@@ -51,16 +51,15 @@ def detect_system_dark_mode():
51
51
  macOS (defaults read), and GNOME/GTK-based Linux (gsettings). Return
52
52
  None if no reliable information is available.
53
53
  """
54
- try:
55
- # Windows: read registry AppsUseLightTheme (0 = dark, 1 = light)
56
- if platform.system() == 'Windows' and winreg is not None:
57
- try:
58
- with winreg.OpenKey(winreg.HKEY_CURRENT_USER,
59
- r'Software\Microsoft\Windows\CurrentVersion\Themes\Personalize') as k:
60
- val, _ = winreg.QueryValueEx(k, 'AppsUseLightTheme')
61
- return False if int(val) == 0 else True
62
- except Exception:
63
- pass
54
+ # Delegate detailed OS detection to `detect_system_theme` and map
55
+ # 'dark' -> True, 'light' -> False. This avoids duplicating the
56
+ # registry and subprocess calls in two places.
57
+ theme = detect_system_theme()
58
+ if theme == 'dark':
59
+ return True
60
+ if theme == 'light':
61
+ return False
62
+ return None
64
63
 
65
64
  def detect_system_theme():
66
65
  """OSの優先テーマ設定を 'dark', 'light', または None として返す。
@@ -80,6 +79,8 @@ def detect_system_theme():
80
79
 
81
80
  # macOS: 'defaults read -g AppleInterfaceStyle'
82
81
  if platform.system() == 'Darwin':
82
+ return 'light'
83
+ '''
83
84
  try:
84
85
  # 'defaults read ...' が成功すればダークモード
85
86
  p = subprocess.run(
@@ -95,6 +96,7 @@ def detect_system_theme():
95
96
  except Exception:
96
97
  # その他のエラー
97
98
  pass
99
+ '''
98
100
 
99
101
  # Linux / GNOME: try color-scheme gsetting; fallback to gtk-theme detection
100
102
  if platform.system() == 'Linux':
@@ -103,16 +105,16 @@ def detect_system_theme():
103
105
  if p.returncode == 0:
104
106
  out = p.stdout.strip().strip("'\n ")
105
107
  if 'dark' in out.lower():
106
- return True
108
+ return 'dark'
107
109
  if 'light' in out.lower():
108
- return False
110
+ return 'light'
109
111
  except Exception:
110
112
  pass
111
113
 
112
114
  try:
113
115
  p = subprocess.run(['gsettings', 'get', 'org.gnome.desktop.interface', 'gtk-theme'], capture_output=True, text=True)
114
116
  if p.returncode == 0 and '-dark' in p.stdout.lower():
115
- return True
117
+ return 'dark'
116
118
  except Exception:
117
119
  pass
118
120
  except Exception:
@@ -236,8 +238,8 @@ class MainWindowMainInit(object):
236
238
  self.atom_selection_mode = False
237
239
  self.selected_atom_actors = []
238
240
 
239
- # 3D編集用の原子選択状態
240
- self.selected_atoms_3d = set() # 3Dビューで選択された原子のインデックス
241
+ # 3D編集用の原子選択状態 (3Dビューで選択された原子のインデックス)
242
+ self.selected_atoms_3d = set()
241
243
 
242
244
  # 3D編集ダイアログの参照を保持
243
245
  self.active_3d_dialogs = []
@@ -495,11 +497,10 @@ class MainWindowMainInit(object):
495
497
  def _icon_foreground_color():
496
498
  """Return a QColor for icon foreground.
497
499
 
498
- NOTE: this application inverts the usual foreground mapping so icons
499
- will be the *opposite* color to the background (i.e., black on dark
500
- backgrounds, white on light backgrounds). This intentionally reverses
501
- the previous behavior so button icons don't blend into the 3D-view
502
- background. Priority: explicit setting in 'icon_foreground' -> OS
500
+ NOTE: choose icon foreground to contrast against the background
501
+ (i.e., white on dark backgrounds, black on light backgrounds). This
502
+ matches common conventions. Priority: explicit setting in
503
+ 'icon_foreground' -> OS theme preference -> configured 3D
503
504
  theme preference -> configured 3D background -> application palette.
504
505
  """
505
506
  try:
@@ -514,9 +515,9 @@ class MainWindowMainInit(object):
514
515
  # 1) Prefer the system/OS dark-mode preference if available.
515
516
  try:
516
517
  os_pref = detect_system_dark_mode()
517
- # Invert the color so in dark-pref OS we return black, in light we return white
518
+ # Standard mapping: dark -> white, light -> black
518
519
  if os_pref is not None:
519
- return QColor('#000000') if os_pref else QColor('#FFFFFF')
520
+ return QColor('#FFFFFF') if os_pref else QColor('#000000')
520
521
  except Exception:
521
522
  pass
522
523
 
@@ -528,8 +529,8 @@ class MainWindowMainInit(object):
528
529
  bg = QColor(bg_hex)
529
530
  if bg.isValid():
530
531
  lum = 0.2126 * bg.redF() + 0.7152 * bg.greenF() + 0.0722 * bg.blueF()
531
- # Inverted: return black on dark (lum<0.5), white on light
532
- return QColor('#000000') if lum < 0.5 else QColor('#FFFFFF')
532
+ # Return white on dark (lum<0.5), black on light
533
+ return QColor('#FFFFFF') if lum < 0.5 else QColor('#000000')
533
534
  except Exception:
534
535
  pass
535
536
 
@@ -538,8 +539,8 @@ class MainWindowMainInit(object):
538
539
  # palette.window() returns a QBrush; call color()
539
540
  window_bg = pal.window().color()
540
541
  lum = 0.2126 * window_bg.redF() + 0.7152 * window_bg.greenF() + 0.0722 * window_bg.blueF()
541
- # Inverted mapping for palette fallback
542
- return QColor('#000000') if lum < 0.5 else QColor('#FFFFFF')
542
+ # Palette-based mapping: white on dark palette background
543
+ return QColor('#FFFFFF') if lum < 0.5 else QColor('#000000')
543
544
  except Exception:
544
545
  return QColor('#000000')
545
546
 
@@ -1,6 +1,6 @@
1
1
  Metadata-Version: 2.4
2
2
  Name: MoleditPy-linux
3
- Version: 1.16.1a1
3
+ Version: 1.16.1a3
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
  Project-URL: Homepage, https://github.com/HiroYokoyama/python_molecular_editor
@@ -0,0 +1,54 @@
1
+ moleditpy_linux/__init__.py,sha256=QCzpw3P5V_CwDtN4itK4hT9J99JgsH4gmpTfvuus6p8,46
2
+ moleditpy_linux/__main__.py,sha256=az0UrbFsuprbQYycF_bSUXxb0F20DuLvYxrZl1-X5EU,831
3
+ moleditpy_linux/main.py,sha256=cEZJuCL0HrLPUYvuwPSxgUkaDykVb573A-3qVvjF9RM,1180
4
+ moleditpy_linux/modules/__init__.py,sha256=DIO4nzCCnpeYLjFqzHxcRYqbECtWWMEGQ_-sb03jirs,1127
5
+ moleditpy_linux/modules/about_dialog.py,sha256=_M-8MLGXCDtVd7NW8xtglASOiIWTF7HzO8J8AzMubs0,3419
6
+ moleditpy_linux/modules/align_plane_dialog.py,sha256=D6E0_rM75rKirDkvkJ-diRqNkf8IguqBBLQqDvZJHME,11665
7
+ moleditpy_linux/modules/alignment_dialog.py,sha256=tS2_5-wnJRDhLcWtPm9-HUm4_v4bAr53EjV82vydA-k,11140
8
+ moleditpy_linux/modules/analysis_window.py,sha256=asSCm7bgDW00tGaXSwEN17j-de_BN7ql6iwmxb3f54E,9134
9
+ moleditpy_linux/modules/angle_dialog.py,sha256=_xwp8CyBEB309UEY618o065Hfqx-XZQHYFXa0fYeNNs,17548
10
+ moleditpy_linux/modules/atom_item.py,sha256=NSRO4x_5Ciq1Hnt2lfdjtVGGjuZ6iUt2bZ8NGT9FqIg,15297
11
+ moleditpy_linux/modules/bond_item.py,sha256=zjQHa4vb8xhS9B7cYPRM0nak-f7lr5NQ1uAj_J78ah4,12778
12
+ moleditpy_linux/modules/bond_length_dialog.py,sha256=xlx-bU3tVeLfShdVRw6_Geo5Gl9mztlIfTdT9tJ6WMA,14579
13
+ moleditpy_linux/modules/calculation_worker.py,sha256=detE48BW08a2tvmKjMgz8zCShgARzsRH-ABmWrPcqZA,42055
14
+ moleditpy_linux/modules/color_settings_dialog.py,sha256=h4AOKU8dCTenecI8zOM9GfnmKDm7jfe5C4Fa23Budvs,15205
15
+ moleditpy_linux/modules/constants.py,sha256=WjilRvqiXFWNenqWLdGAfr7iTPEvSp_nojw97fcgrso,4436
16
+ moleditpy_linux/modules/constrained_optimization_dialog.py,sha256=MlWnPze0JJvnqmHx9n3qZWG_h-2kZymT0PQ6lALbCro,29861
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+ moleditpy_linux/modules/custom_interactor_style.py,sha256=K_uGM6FezY0kZ3zPqoR6f0nowG40ytt-L4UCAbPlwGM,38184
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+ moleditpy_linux/modules/custom_qt_interactor.py,sha256=6mzaVb3Mhp-4nryG5AraEvPPgBJpotrzVYwrpCAKmVo,2186
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+ moleditpy_linux/modules/dialog3_d_picking_mixin.py,sha256=gaF1ATevvvF72aBfAjubRcagT2jnVG5RMpEKos_XdKg,4768
20
+ moleditpy_linux/modules/dihedral_dialog.py,sha256=H6WFvc7NvPHSd5QCMk0NUPhudOzpModXv-42dYL20KM,17809
21
+ moleditpy_linux/modules/main_window.py,sha256=Ii36JTPSkZNaqqEc8CXZ1bq9accIMg5yUs1U7_pHgYM,35791
22
+ moleditpy_linux/modules/main_window_app_state.py,sha256=f9f3JVuC46ijlea2DR8ADa0Jn5r2dgedPPdg8OkmNAU,33374
23
+ moleditpy_linux/modules/main_window_compute.py,sha256=fiIokVvjzXIwwR3FV3Ltet_K4oL_rT0Z27rPMbvlyyc,51346
24
+ moleditpy_linux/modules/main_window_dialog_manager.py,sha256=5WU6mFABB0aI4XCywP-cLFPkNQSb3bC0OK0I28SQG_w,19845
25
+ moleditpy_linux/modules/main_window_edit_3d.py,sha256=FStBWVeDVAM2MoO-JCTjPM-G7iT8QZUHxsb0dS4MEAI,19553
26
+ moleditpy_linux/modules/main_window_edit_actions.py,sha256=8tR0rYfgWYgdKTxBP4snzpxhiD2DExSKyf4jzSWb6sE,64598
27
+ moleditpy_linux/modules/main_window_export.py,sha256=f_Z4qVYKBTe06lGTFqjd3deluUdkQvHhZYa81h7UpBM,34465
28
+ moleditpy_linux/modules/main_window_main_init.py,sha256=xAstCr__601hkbb1IpqpQKUFTSS6quYe66sBOgqJjkc,75228
29
+ moleditpy_linux/modules/main_window_molecular_parsers.py,sha256=8JAIgr1axzmJqX_Ue-Adkl8e_8B2Th9yutQbau8EEWQ,43401
30
+ moleditpy_linux/modules/main_window_project_io.py,sha256=2ArkW23L4ahQIiktCCXlNsJphU0awO5YzJGihIJsn1c,17021
31
+ moleditpy_linux/modules/main_window_string_importers.py,sha256=yrZblvPG840qnqVEJf__XVfNnWl_r3vt68Abfs2aYDQ,10674
32
+ moleditpy_linux/modules/main_window_ui_manager.py,sha256=0jdTZGv5JRtDlDniblPKzLPXdfUBZ3qh12s6pav4ihI,22038
33
+ moleditpy_linux/modules/main_window_view_3d.py,sha256=aU6fI-ZYUV7qOQmucsF5WuafGYyvb4P2xj0oIgsnDaU,55443
34
+ moleditpy_linux/modules/main_window_view_loaders.py,sha256=WuzLCYC22eaDFIvUvRtXgULZb-n4B04gcdgSKqTgWGA,14234
35
+ moleditpy_linux/modules/mirror_dialog.py,sha256=wYlnqrxAZfsADB5Gvabe-MoX3j0_NjfmWPyf3GCYj9U,4427
36
+ moleditpy_linux/modules/molecular_data.py,sha256=OCdiRIDXgnqYCKmf56x6XfbOJYTEQjY-MtBfnYZtTWY,12981
37
+ moleditpy_linux/modules/molecule_scene.py,sha256=F7W7HLctfqbtM0gI76fcyEar6Q5t_rWoy1cAPUTYrMg,90222
38
+ moleditpy_linux/modules/move_group_dialog.py,sha256=MVVdy0R-HIHcsCWD2yBVDWoDN4NFXPkOc72dq9laBP4,26905
39
+ moleditpy_linux/modules/periodic_table_dialog.py,sha256=slh1X-6YidaQGzQamrKJ6aetIMKTQLRlBfaAH6B6qfw,3737
40
+ moleditpy_linux/modules/planarize_dialog.py,sha256=u8IZGUEIXnVrBOXBqJefQpFqz3wiU6oLXp4gBNcC7Iw,8402
41
+ moleditpy_linux/modules/settings_dialog.py,sha256=ylofChBPAvUH-wkn_UGNqinYkKoEQKULis8i80Wzh9Y,58264
42
+ moleditpy_linux/modules/template_preview_item.py,sha256=KDuLEZpPSMm9ZB0z5ms8LZyHbFKvszemG0XnR5vi0qg,6404
43
+ moleditpy_linux/modules/template_preview_view.py,sha256=AXUaFJR0E1yX9dBY9IDbxYNsBTcRFZWnDwpS_pRZXhs,3081
44
+ moleditpy_linux/modules/translation_dialog.py,sha256=gIG_mz4wc4y4ZNq02Ql33ek6B-DrOf1pdWF3FsViCT4,14394
45
+ moleditpy_linux/modules/user_template_dialog.py,sha256=VhLh7MNbElySnAIHjkiRaYLRHJLeK-NcHtAX5yqjBzI,27955
46
+ moleditpy_linux/modules/zoomable_view.py,sha256=ZgAmmWXIKtx7AhMjs6H6PCyvb_kpYuankf8UxsZX9mg,4569
47
+ moleditpy_linux/modules/assets/icon.icns,sha256=wD5R6-Vw7K662tVKhu2E1ImN0oUuyAP4youesEQsn9c,139863
48
+ moleditpy_linux/modules/assets/icon.ico,sha256=RfgFcx7-dHY_2STdsOQCQziY5SNhDr3gPnjO6jzEDPI,147975
49
+ moleditpy_linux/modules/assets/icon.png,sha256=kCFN1WacYIdy0GN6SFEbNA00ef39pCczBnFdkkBI8Bs,147110
50
+ moleditpy_linux-1.16.1a3.dist-info/METADATA,sha256=HNzP5MU9NSJUXdXDMkEME57oFZytrmYtKyeRs_A2jD0,17437
51
+ moleditpy_linux-1.16.1a3.dist-info/WHEEL,sha256=_zCd3N1l69ArxyTb8rzEoP9TpbYXkqRFSNOD5OuxnTs,91
52
+ moleditpy_linux-1.16.1a3.dist-info/entry_points.txt,sha256=-OzipSi__yVwlimNtu3eiRP5t5UMg55Cs0udyhXYiyw,60
53
+ moleditpy_linux-1.16.1a3.dist-info/top_level.txt,sha256=qyqe-hDYL6CXyin9E5Me5rVl3PG84VqiOjf9bQvfJLs,16
54
+ moleditpy_linux-1.16.1a3.dist-info/RECORD,,
@@ -0,0 +1 @@
1
+ moleditpy_linux
@@ -1,51 +0,0 @@
1
- moleditpy-linux/__init__.py,sha256=QCzpw3P5V_CwDtN4itK4hT9J99JgsH4gmpTfvuus6p8,46
2
- moleditpy-linux/__main__.py,sha256=az0UrbFsuprbQYycF_bSUXxb0F20DuLvYxrZl1-X5EU,831
3
- moleditpy-linux/main.py,sha256=cEZJuCL0HrLPUYvuwPSxgUkaDykVb573A-3qVvjF9RM,1180
4
- moleditpy-linux/modules/__init__.py,sha256=DIO4nzCCnpeYLjFqzHxcRYqbECtWWMEGQ_-sb03jirs,1127
5
- moleditpy-linux/modules/about_dialog.py,sha256=_M-8MLGXCDtVd7NW8xtglASOiIWTF7HzO8J8AzMubs0,3419
6
- moleditpy-linux/modules/align_plane_dialog.py,sha256=D6E0_rM75rKirDkvkJ-diRqNkf8IguqBBLQqDvZJHME,11665
7
- moleditpy-linux/modules/alignment_dialog.py,sha256=tS2_5-wnJRDhLcWtPm9-HUm4_v4bAr53EjV82vydA-k,11140
8
- moleditpy-linux/modules/analysis_window.py,sha256=asSCm7bgDW00tGaXSwEN17j-de_BN7ql6iwmxb3f54E,9134
9
- moleditpy-linux/modules/angle_dialog.py,sha256=_xwp8CyBEB309UEY618o065Hfqx-XZQHYFXa0fYeNNs,17548
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@@ -1 +0,0 @@
1
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