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fix sample geometry issue
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y8z committed Feb 9, 2025
1 parent 2f0a1e9 commit 881d343
Showing 1 changed file with 5 additions and 3 deletions.
8 changes: 5 additions & 3 deletions total_scattering/reduction/total_scattering_reduction.py
Original file line number Diff line number Diff line change
Expand Up @@ -498,9 +498,11 @@ def TotalScatteringReduction(config: dict = None):
sam_material = sample.get('Material', None)
sam_material = chem_form_normalizer(sam_material)

sam_geo_dict = {'Shape': 'Cylinder',
'Radius': config['Sample']['Geometry']['Radius'],
'Height': config['Sample']['Geometry']['Height']}
sam_geo_dict = {
'Shape': config['Sample']['Geometry']['Shape'],
'Radius': config['Sample']['Geometry']['Radius'],
'Height': config['Sample']['Geometry']['Height']
}

sam_eff_density = sam_mass_density * sam_packing_fraction
sam_mat_dict = {'ChemicalFormula': sam_material,
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