MoleditPy-linux 3.6.1__py3-none-any.whl → 3.6.2__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.
- moleditpy_linux/ui/move_group_dialog.py +13 -1
- moleditpy_linux/ui/move_selected_atoms_dialog.py +13 -1
- {moleditpy_linux-3.6.1.dist-info → moleditpy_linux-3.6.2.dist-info}/METADATA +1 -1
- {moleditpy_linux-3.6.1.dist-info → moleditpy_linux-3.6.2.dist-info}/RECORD +8 -8
- {moleditpy_linux-3.6.1.dist-info → moleditpy_linux-3.6.2.dist-info}/WHEEL +0 -0
- {moleditpy_linux-3.6.1.dist-info → moleditpy_linux-3.6.2.dist-info}/entry_points.txt +0 -0
- {moleditpy_linux-3.6.1.dist-info → moleditpy_linux-3.6.2.dist-info}/licenses/LICENSE +0 -0
- {moleditpy_linux-3.6.1.dist-info → moleditpy_linux-3.6.2.dist-info}/top_level.txt +0 -0
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@@ -460,13 +460,18 @@ class MoveGroupDialog(BasePickingDialog):
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def show_atom_labels(self) -> None:
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"""Highlight atoms in the selected group."""
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plotter = self.main_window.view_3d_manager.plotter
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try:
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cam = plotter.camera_position if plotter else None
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except (AttributeError, RuntimeError, TypeError):
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cam = None
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self.clear_atom_labels()
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if not self.group_atoms:
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return
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selected_indices = list(self.group_atoms)
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plotter = self.main_window.view_3d_manager.plotter
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if self.main_window.view_3d_manager.atom_positions_3d is None:
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logging.error("atom_positions_3d is None in update_atom_labels")
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return
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@@ -496,8 +501,15 @@ class MoveGroupDialog(BasePickingDialog):
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opacity=0.3,
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name="move_group_highlight",
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pickable=False,
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reset_camera=False,
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)
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if cam is not None:
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try:
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plotter.camera_position = cam
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except (AttributeError, RuntimeError, TypeError):
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pass
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plotter.render()
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def clear_atom_labels(self) -> None:
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@@ -471,13 +471,18 @@ class MoveSelectedAtomsDialog(BasePickingDialog):
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def show_atom_labels(self) -> None:
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"""Highlight selected atoms."""
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plotter = self.main_window.view_3d_manager.plotter
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try:
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cam = plotter.camera_position if plotter else None
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except (AttributeError, RuntimeError, TypeError):
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cam = None
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self.clear_atom_labels()
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if not self.selected_atoms:
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return
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selected_indices = list(self.selected_atoms)
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plotter = self.main_window.view_3d_manager.plotter
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if self.main_window.view_3d_manager.atom_positions_3d is None:
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logging.error("atom_positions_3d is None in update_atom_labels")
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return
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@@ -507,8 +512,15 @@ class MoveSelectedAtomsDialog(BasePickingDialog):
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opacity=0.3,
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name="move_selected_atoms_highlight",
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pickable=False,
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reset_camera=False,
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)
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if cam is not None:
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try:
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plotter.camera_position = cam
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except (AttributeError, RuntimeError, TypeError):
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pass
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plotter.render()
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def clear_atom_labels(self) -> None:
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@@ -1,6 +1,6 @@
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Metadata-Version: 2.4
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Name: MoleditPy-linux
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Version: 3.6.
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Version: 3.6.2
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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.
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Author-email: HiroYokoyama <titech.yoko.hiro@gmail.com>
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License: GNU GENERAL PUBLIC LICENSE
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@@ -43,8 +43,8 @@ moleditpy_linux/ui/main_window_init.py,sha256=lSfW6EDtcVptS37OUEPidz5WNcq7FSzmG8
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moleditpy_linux/ui/mirror_dialog.py,sha256=iJriiS5U61tyw_7M_PUf3x1qAHh8ciBh751GH8O_BpQ,5075
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moleditpy_linux/ui/molecular_scene_handler.py,sha256=TFmvgs10xuEI0PiRxWYvUlh_gBunUfQb1BPrIDF5CtA,69602
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moleditpy_linux/ui/molecule_scene.py,sha256=qa-nWA653oEiJFJx7Gn-jBSHaPtJw4kq4KfK6pqJcQs,38524
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moleditpy_linux/ui/move_group_dialog.py,sha256=
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moleditpy_linux/ui/move_selected_atoms_dialog.py,sha256=
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moleditpy_linux/ui/move_group_dialog.py,sha256=1T8vxhPcSp5r71WE90bINe4lm0Q8XEvCUBlUcXhHF7w,26259
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moleditpy_linux/ui/move_selected_atoms_dialog.py,sha256=samPLggErPkNQeZJ_zNbWKpbh3MFGVB6aHxg0waF5HI,25268
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moleditpy_linux/ui/periodic_table_dialog.py,sha256=2fgAILjcjYNt-x9UCqq2VFgwDY8oX7aE4jMQvyyCMho,5847
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moleditpy_linux/ui/planarize_dialog.py,sha256=F_xMk6Jcmq7PECKJfiKtQuRm1tRXLS7Se2h5wwpnD0w,7359
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moleditpy_linux/ui/settings_dialog.py,sha256=WTexmB8HOmdA-CjHK5M6TcS7ZrJtywyq7qMM2SZzu-k,7673
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@@ -66,9 +66,9 @@ moleditpy_linux/utils/constants.py,sha256=HsOqb9sAzRNujvBQwAeTWXS7fHfho46shmnSa3
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moleditpy_linux/utils/default_settings.py,sha256=OxgIrdk-LCXBdhUPF_qzsbdsiM18kDWgP3seELyUgJU,2731
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moleditpy_linux/utils/sip_isdeleted_safe.py,sha256=My6IJqDewbYY6SoRYNk6XwFUQ9_yihaR3Ym7EOETuAw,1189
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moleditpy_linux/utils/system_utils.py,sha256=K5c9cJRgMFqtUtLefSu3w2hy2drgxNqfT200bSIFy2k,2325
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moleditpy_linux-3.6.
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moleditpy_linux-3.6.
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moleditpy_linux-3.6.
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moleditpy_linux-3.6.
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moleditpy_linux-3.6.
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moleditpy_linux-3.6.
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moleditpy_linux-3.6.2.dist-info/licenses/LICENSE,sha256=IwGE9guuL-ryRPEKi6wFPI_zOhg7zDZbTYuHbSt_SAk,35823
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moleditpy_linux-3.6.2.dist-info/METADATA,sha256=Hvax71UUKc-KHdTtT9hmn0R_dF-kUWfEdmZqqQ0T4io,62978
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moleditpy_linux-3.6.2.dist-info/WHEEL,sha256=aeYiig01lYGDzBgS8HxWXOg3uV61G9ijOsup-k9o1sk,91
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moleditpy_linux-3.6.2.dist-info/entry_points.txt,sha256=-OzipSi__yVwlimNtu3eiRP5t5UMg55Cs0udyhXYiyw,60
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moleditpy_linux-3.6.2.dist-info/top_level.txt,sha256=qyqe-hDYL6CXyin9E5Me5rVl3PG84VqiOjf9bQvfJLs,16
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moleditpy_linux-3.6.2.dist-info/RECORD,,
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