data, hklrefin, pixel_size_mm, target_unit_cell, \
d_min, d_max = read_input(args = sys.argv[1:])
frame_files = read_pickles(data)
for pickle_filename in frame_files:
observations_pickle = read_frame(pickle_filename)
pickle_filename_arr = pickle_filename.split('/')
pickle_filename_only = pickle_filename_arr[len(pickle_filename_arr) -
1]
mxh = mx_handler()
flag_hklisoin_found, miller_array_iso = mxh.get_miller_array_from_reflection_file(
hklrefin)
observations = observations_pickle["observations"][0]
#check if the uc is good
flag_good_unit_cell = good_unit_cell(
observations.unit_cell().parameters(),
None,
uc_tol,
target_unit_cell=target_unit_cell)
#update lambda_set
lambda_set = lambda_template + observations_pickle["wavelength"]
crystal_init_orientation = observations_pickle["current_orientation"][
0]
detector_distance_mm = observations_pickle['distance']
mm_predictions = pixel_size_mm * (
observations_pickle['mapped_predictions'][0])
xbeam = observations_pickle["xbeam"]
ybeam = observations_pickle["ybeam"]
alpha_angle = flex.double([math.atan(abs(pred[0]-xbeam)/abs(pred[1]-ybeam)) \
for pred in mm_predictions])
spot_pred_x_mm = flex.double(
[pred[0] - xbeam for pred in mm_predictions])
ry, rz, re, rotx, roty = (0, 0, 0.008, 0, 0)
flag_beam_divergence = False
lambda_template = flex.double(range(-50,50,1))/1000
#0 .read input parameters and frames (pickle files)
data, hklrefin, pixel_size_mm, target_unit_cell, \
d_min, d_max = read_input(args = sys.argv[1:])
frame_files = read_pickles(data)
for pickle_filename in frame_files:
observations_pickle = pickle.load(open(pickle_filename,"rb"))
pickle_filename_arr = pickle_filename.split('/')
pickle_filename_only = pickle_filename_arr[len(pickle_filename_arr)-1]
mxh = mx_handler()
flag_hklisoin_found, miller_array_iso = mxh.get_miller_array_from_reflection_file(hklrefin)
observations = observations_pickle["observations"][0]
#check if the uc is good
flag_good_unit_cell = good_unit_cell(observations.unit_cell().parameters(), None, uc_tol, target_unit_cell=target_unit_cell)
#update lambda_set
lambda_set = lambda_template + observations_pickle["wavelength"]
crystal_init_orientation = observations_pickle["current_orientation"][0]
detector_distance_mm = observations_pickle['distance']
mm_predictions = pixel_size_mm*(observations_pickle['mapped_predictions'][0])
xbeam = observations_pickle["xbeam"]
ybeam = observations_pickle["ybeam"]
alpha_angle = flex.double([math.atan(abs(pred[0]-xbeam)/abs(pred[1]-ybeam)) \
for pred in mm_predictions])
spot_pred_x_mm = flex.double([pred[0]-xbeam for pred in mm_predictions])
spot_pred_y_mm = flex.double([pred[1]-ybeam for pred in mm_predictions])
#resoultion filter
i_sel_res = observations.resolution_filter_selection(d_min=d_min, d_max=d_max)
observations = observations.select(i_sel_res)
alpha_angle = alpha_angle.select(i_sel_res)