def generate_hydra_workspace_multiple_sub_runs(ws_name, sub_run_data_dict):
"""Generate a multiple sub-run HiDRA workspace
Parameters
----------
ws_name
sub_run_data_dict
Returns
-------
pyrs.core.workspaces.HidraWorkspace
Test Hidra workspace
"""
# Create test workspace
test_workspace = HidraWorkspace(ws_name)
# Sub runs:
sub_runs_list = list(sub_run_data_dict.keys())
test_workspace.set_sub_runs(sub_runs_list)
# Add diffraction pattern
for sub_run_i in sorted(sub_runs_list):
vec_x, vec_y = sub_run_data_dict[sub_run_i]
test_workspace.set_reduced_diffraction_data(sub_run_i,
mask_id=None,
two_theta_array=vec_x,
intensity_array=vec_y)
return test_workspace
def generate_hydra_workspace_single_subrun(peak_profile_type, min_x, max_x,
num_x, peak_centers, peak_ranges,
peak_intensities):
"""Generate HiDRAWorkspace for peak fitting test
Default:
min_x = 75
max_x = 85
num_x = 500
Parameters
----------
peak_profile_type
min_x
max_x
num_x
peak_centers
peak_ranges
peak_intensities
Returns
-------
pyrs.core.workspaces.HidraWorkspace
Test Hidra workspace
"""
# Create test workspace
test_workspace = HidraWorkspace('test')
# resolution
x_step = (max_x - min_x) / num_x
# Generate vector X
vec_x = np.arange(num_x) * x_step + min_x # from 75 to 85 degree
# Add profile
if peak_profile_type.lower() == 'gaussian':
test_fitting_function = generate_test_gaussian(vec_x, peak_centers,
peak_ranges,
peak_intensities)
elif peak_profile_type.lower() == 'pseudovoigt':
test_fitting_function = generate_test_pseudovoigt(
vec_x, peak_centers, peak_ranges, peak_intensities)
# peak_range *= 2 # PV requires larger fitting range
else:
raise NotImplementedError(
'Peak profile {} is not supported to generate testing workspace')
vec_y = test_fitting_function['values']
parameters = test_fitting_function['parameters']
# Add background
test_background_function = generate_test_background(vec_x, vec_y)
vec_y = test_background_function['values']
parameters.append(test_background_function['parameters'])
# Print out the test data
# for i in range(vec_x.shape[0]):
# print('{} {}'.format(vec_x[i], vec_y[i]))
# Add diffraction pattern
test_workspace.set_sub_runs([1])
test_workspace.set_reduced_diffraction_data(1,
mask_id=None,
two_theta_array=vec_x,
intensity_array=vec_y)
return {'workspace': test_workspace, 'parameters': parameters}