@@ -101,10 +101,8 @@ def test_single_fit_neutron_pd_tof_si() -> None:
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# Create and configure sample model
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model = SampleModel ('si' )
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model .space_group .name_h_m = 'F d -3 m'
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- model .space_group .it_coordinate_system_code = 2
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+ model .space_group .it_coordinate_system_code = '2'
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model .cell .length_a = 5.431
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- model .cell .length_b = 5.431
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- model .cell .length_c = 5.431
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model .atom_sites .add ('Si' , 'Si' , 0.125 , 0.125 , 0.125 , b_iso = 0.5 )
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model .show_as_cif ()
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@@ -205,10 +203,8 @@ def test_single_fit_neutron_pd_tof_ncaf() -> None:
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# Create and configure sample model
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model = SampleModel ('ncaf' )
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model .space_group .name_h_m = 'I 21 3'
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- model .space_group .it_coordinate_system_code = 1
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+ model .space_group .it_coordinate_system_code = '1'
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model .cell .length_a = 10.250256
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- model .cell .length_b = 10.250256
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- model .cell .length_c = 10.250256
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model .atom_sites .add ('Ca' , 'Ca' , 0.4661 , 0.0 , 0.25 , b_iso = 0.9 )
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model .atom_sites .add ('Al' , 'Al' , 0.25171 , 0.25171 , 0.25171 , b_iso = 0.66 )
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model .atom_sites .add ('Na' , 'Na' , 0.08481 , 0.08481 , 0.08481 , b_iso = 1.9 )
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