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This issue was created with the app's automated bug reporting feature.
Attached to this issue is the full traceback as well as an environment
fingerprint that contains information about the operating system as well as all
installed libraries.
Additional comments (optional):
To reproduce, go to the Selection tab, and try to select for an atom that is not there, e.g. atom number 10 in the methane molecule. The exception appears when you click the "Apply selection" button
Attachments
Traceback
/opt/conda/lib/python3.8/site-packages/ipywidgets/widgets/widget.py in notify_change(self, change)
684# Send new state to front-end685self.send_state(key=name)
--> 686 super(Widget, self).notify_change(change)
687688def__repr__(self):
/opt/conda/lib/python3.8/site-packages/traitlets/traitlets.py in notify_change(self, change)
1384 def notify_change(self, change):
1385 """Notify observers of a change event"""
-> 1386 return self._notify_observers(change)
1387
1388 def _notify_observers(self, event):
/opt/conda/lib/python3.8/site-packages/traitlets/traitlets.py in _notify_observers(self, event)
1429 c = getattr(self, c.name)
1430
-> 1431 c(event)
1432
1433 def _add_notifiers(self, handler, name, type):
~/apps/aiidalab-widgets-base/aiidalab_widgets_base/viewers.py in _observe_selection_2(self, _)
1061 @observe("selection")
1062 def _observe_selection_2(self, _=None):
-> 1063 self.selection_info.value = self.create_selection_info()
1064
1065
~/apps/aiidalab-widgets-base/aiidalab_widgets_base/viewers.py in create_selection_info(self)
1002 # Find geometric center.
1003 geom_center = print_pos(
-> 1004 np.average(self.structure[self.selection].get_positions(), axis=0)
1005 )
1006
/opt/conda/lib/python3.8/site-packages/ase/atoms.py in __getitem__(self, i)
1073 atoms.arrays = {}
1074 for name, a in self.arrays.items():
-> 1075 atoms.arrays[name] = a[i].copy()
1076
1077 atoms.constraints = conadd
IndexError: index 9 is out of bounds for axis 0 with size 5
By submitting this issue I confirm that I am aware that this information can
potentially be used to determine what kind of calculation was performed at the
time of error.
The text was updated successfully, but these errors were encountered:
Automated report
This issue was created with the app's automated bug reporting feature.
Attached to this issue is the full traceback as well as an environment
fingerprint that contains information about the operating system as well as all
installed libraries.
Additional comments (optional):
To reproduce, go to the Selection tab, and try to select for an atom that is not there, e.g. atom number 10 in the methane molecule. The exception appears when you click the "Apply selection" button
Attachments
Traceback
Environment fingerprint
By submitting this issue I confirm that I am aware that this information can
potentially be used to determine what kind of calculation was performed at the
time of error.
The text was updated successfully, but these errors were encountered: