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Add preferred-orientation CIF round-trip test
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tests/unit/easydiffraction/datablocks/experiment/categories/test_pref_orient.py

Lines changed: 27 additions & 0 deletions
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@@ -126,3 +126,30 @@ def test_preferred_orientation_exposed_on_bragg_powder_only():
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scattering_type='total',
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)
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assert not hasattr(total, 'preferred_orientation')
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def test_pref_orient_cif_round_trip():
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from easydiffraction import ExperimentFactory
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experiment = ExperimentFactory.from_scratch(
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name='lbco',
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sample_form='powder',
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beam_mode='constant wavelength',
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radiation_probe='neutron',
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scattering_type='bragg',
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)
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experiment.preferred_orientation.create(
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phase_id='lbco',
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march_r=0.75,
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march_random_fract=0.2,
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index_h=1,
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index_k=0,
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index_l=2,
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)
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restored = ExperimentFactory.from_cif_str(experiment.as_cif)
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row = restored.preferred_orientation['lbco']
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assert row.march_r.value == 0.75
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assert row.march_random_fract.value == 0.2
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assert (row.index_h.value, row.index_k.value, row.index_l.value) == (1, 0, 2)

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