def test_check_and_fix(tc):
n_det = tc.det_param.num_free()
n_beam = tc.s0_param.num_free()
n_xlo = tc.xlo_param.num_free()
n_xluc = tc.xluc_param.num_free()
# Similar to test_check_and_fail, setting 137 reflections as the minimum
# should leave all parameters free
options = ar_phil_scope.extract()
options.min_nref_per_parameter = 137
ar = AutoReduce(
options,
[tc.det_param],
[tc.s0_param],
[tc.xlo_param],
[tc.xluc_param],
gon_params=[],
reflection_manager=tc.refman,
)
ar.check_and_fix()
assert ar.det_params[0].num_free() == n_det == 6
assert ar.beam_params[0].num_free() == n_beam == 3
assert ar.xl_ori_params[0].num_free() == n_xlo == 3
assert ar.xl_uc_params[0].num_free() == n_xluc == 6
# Setting 138 reflections as the minimum should fix all the detector
# parameters and remove that parameterisation. The crystal unit cell also
# has 6 parameters, but each parameter is considered separately, so the
# critical minimum number of reflections is 138*1 not 138*6 in that case
options = ar_phil_scope.extract()
options.min_nref_per_parameter = 138
ar = AutoReduce(
options,
[tc.det_param],
[tc.s0_param],
[tc.xlo_param],
[tc.xluc_param],
gon_params=[],
reflection_manager=tc.refman,
)
ar.check_and_fix()
assert not ar.det_params
assert ar.xl_uc_params[0].num_free() == n_xluc
assert ar.beam_params[0].num_free() == n_beam
assert ar.xl_ori_params[0].num_free() == n_xlo
def test_check_and_fix(tc):
n_det = tc.det_param.num_free()
n_beam = tc.s0_param.num_free()
n_xlo = tc.xlo_param.num_free()
n_xluc = tc.xluc_param.num_free()
# Similar to test_check_and_fail, setting 792 reflections as the minimum
# should leave all parameters free
options = ar_phil_scope.extract()
options.min_nref_per_parameter = 792
ar = AutoReduce(options,
pred_param=tc.pred_param,
reflection_manager=tc.refman)
ar.check_and_fix()
det_params = tc.pred_param.get_detector_parameterisations()
beam_params = tc.pred_param.get_beam_parameterisations()
xl_ori_params = tc.pred_param.get_crystal_orientation_parameterisations()
xl_uc_params = tc.pred_param.get_crystal_unit_cell_parameterisations()
assert det_params[0].num_free() == n_det == 6
assert beam_params[0].num_free() == n_beam == 3
assert xl_ori_params[0].num_free() == n_xlo == 3
assert xl_uc_params[0].num_free() == n_xluc == 6
# Setting 793 reflections as the minimum should fix crystal unit cell
# parameters g_param_0, g_param_3 and g_param_4
options = ar_phil_scope.extract()
options.min_nref_per_parameter = 793
ar = AutoReduce(options,
pred_param=tc.pred_param,
reflection_manager=tc.refman)
ar.check_and_fix()
det_params = tc.pred_param.get_detector_parameterisations()
beam_params = tc.pred_param.get_beam_parameterisations()
xl_ori_params = tc.pred_param.get_crystal_orientation_parameterisations()
xl_uc_params = tc.pred_param.get_crystal_unit_cell_parameterisations()
assert det_params[0].num_free() == n_det
assert xl_uc_params[0].num_free() == 3
assert xl_uc_params[0].get_param_names() == [
"g_param_1", "g_param_2", "g_param_5"
]
assert beam_params[0].num_free() == n_beam
assert xl_ori_params[0].num_free() == n_xlo