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Bug report: Application crashed with ValueError #935

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cpignedoli opened this issue Nov 20, 2024 · 1 comment
Open

Bug report: Application crashed with ValueError #935

cpignedoli opened this issue Nov 20, 2024 · 1 comment
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automated-report bug Something isn't working

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@cpignedoli
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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):

Co SOC, selection of "angular" in PDOS

Attachments

Traceback
~/.local/lib/python3.9/site-packages/aiidalab_qe/common/bands_pdos/model.py in fetch_data(self)
     71             self.bands_data = self._get_bands_data()
     72         if self.pdos:
---> 73             self.pdos_data = self._get_pdos_data()
     74 
     75     @property

~/.local/lib/python3.9/site-packages/aiidalab_qe/common/bands_pdos/model.py in _get_pdos_data(self)
     92         )
     93         if syntax_ok:
---> 94             return get_pdos_data(
     95                 self.pdos,
     96                 group_tag=self.dos_atoms_group,

~/.local/lib/python3.9/site-packages/aiidalab_qe/common/bands_pdos/utils.py in get_pdos_data(pdos, group_tag, plot_tag, selected_atoms)
    152     # Updata labels if plot_tag is different than total
    153     if plot_tag != "total":
--> 154         data_dict = _update_pdos_labels(data_dict)
    155     #    data_dict = deepcopy(new_dict)
    156 

~/.local/lib/python3.9/site-packages/aiidalab_qe/common/bands_pdos/utils.py in _update_pdos_labels(pdos_data)
    688             - pdos_data (dict): Updated PDOS data with correct orbital labels.
    689     """
--> 690     original_labels, orbital_dict = _get_labels_radial_nodes(pdos_data)
    691     orbital_assignment = _assign_orbital_labels(orbital_dict)
    692     updated_labels = _get_new_pdos_labels(original_labels, orbital_assignment)

~/.local/lib/python3.9/site-packages/aiidalab_qe/common/bands_pdos/utils.py in _get_labels_radial_nodes(pdos_dict)
    554             continue  # Malformed label
    555 
--> 556         radial_node = int(radial_orbital[0][1:])  # Extract radial index from 'r#'
    557         orbital = radial_orbital[1][0]  # Orbital type ('s', 'p', 'd', 'f')
    558 

ValueError: invalid literal for int() with base 10: ''
Environment fingerprint
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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.

@edan-bainglass
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Thanks @cpignedoli. @AndresOrtegaGuerrero could you have a look? Seems to be related to your widget.

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