Get peaks from CIF #214
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Get peaks from CIF #214
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jl-wynen
requested changes
Nov 5, 2025
| import scipp as sc | ||
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| def dspacing_peak_positions_from_cif(cif, intensity_threshold=None) -> sc.Variable: |
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Can you add a docstring? In particular, it needs to explain the cif argument because it is not clear what types are allowed and what kinds of strings can be passed.
tests/diffraction/test_peaks.py
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| d = dspacing_peak_positions_from_cif( | ||
| 'codid::9011998', | ||
| sc.scalar(50, unit='1e10'), |
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Why this strange unit instead of sc.scalar(1e10)?
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I want to test that the unit conversion is done.
Co-authored-by: Jan-Lukas Wynen <jan-lukas.wynen@ess.eu>
jl-wynen
approved these changes
Nov 6, 2025
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Fixes #201