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CMFGEN configuration hints missing in documentation #381

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AlexHls opened this issue Oct 11, 2023 · 0 comments
Open
1 of 2 tasks

CMFGEN configuration hints missing in documentation #381

AlexHls opened this issue Oct 11, 2023 · 0 comments

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@AlexHls
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AlexHls commented Oct 11, 2023

Describe the bug

When trying to get CMFGEN data by running e.g.

cmfgen_reader = CMFGENReader.from_config('H-Zn',
                                         '/home/alexh/Downloads/CMFGEN_Atomic_Data/atomic',
                                         priority=30,
                                         ionization_energies=True,
                                         cross_sections=True,
                                         collisions=True,
                                         temperature_grid=None,
                                         drop_mismatched_labels=True)

an error

KeyError: 'Configuration schema missing for Li 0.Please check the CMFGEN configuration file: carsus/data/cmfgen_config.yml'

is raised. This error is justified since obtaining 'H-Zn' is ambiguous for the CMFGEN dataset. However, the documentation should give a hint that for the CMFGEN atomic data the carsus/data/cmfgen_config.yml file needs to be configured to disambiguate the data (e.g. in cases where multiple data is present for the same species).

To Reproduce

Run the quickstart notebook and replace the CMFGEN section with the snippet above.

Screenshots

System

  • OS:

    • GNU/Linux
    • macOS
  • Environment (conda list):
    (Stock environment as specified in the documentation)

Additional context

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