path = "/home/upc86896/Data/Data/i04-BAG-training/dials_processed/" experiment_list_filename = join(path, "experiments.json") if len(sys.argv) > 1: nproc = int(sys.argv[1]) else: nproc = 1 print("Reading Experiments") from math import pi experiments = ExperimentListFactory.from_json_file( experiment_list_filename) profile_model = ProfileModelList() profile_model.append( ProfileModel(n_sigma=3, sigma_b=0.024 * pi / 180, sigma_m=0.044 * pi / 180)) print("Predicting Reflections") rlist = flex.reflection_table.from_predictions(experiments[0]) rlist["id"] = flex.int(len(rlist), 0) rlist.compute_bbox(experiments, profile_model) rlist.compute_zeta_multi(experiments) rlist.compute_d(experiments) print("") print("Creating params") from dials.algorithms.integration.integrator import IntegratorFactory
from os.path import join # path = '/home/upc86896/Projects/cctbx/sources/dials_regression/centroid_test_data' path = '/home/upc86896/Data/Data/i04-BAG-training/dials_processed/' experiment_list_filename = join(path, "experiments.json") if len(sys.argv) > 1: nproc = int(sys.argv[1]) else: nproc = 1 print "Reading Experiments" from math import pi experiments = ExperimentListFactory.from_json_file(experiment_list_filename) profile_model = ProfileModelList() profile_model.append(ProfileModel( n_sigma=3, sigma_b=0.024*pi/180, sigma_m=0.044*pi/180)) print "Predicting Reflections" rlist = flex.reflection_table.from_predictions(experiments[0]) rlist['id'] = flex.int(len(rlist), 0) rlist.compute_bbox(experiments, profile_model) rlist.compute_zeta_multi(experiments) rlist.compute_d(experiments) print "" print "Creating params"
dials_regression = libtbx.env.dist_path('dials_regression') except KeyError, e: print 'FAIL: dials_regression not configured' exit(0) path = join(dials_regression, "centroid_test_data") import sys assert(len(sys.argv) == 1) sys.argv.append(join(path, "experiments.json")) sys.argv.append(join(path, "profile.phil")) parser = OptionParser(phil=phil_scope) params, options, args = parser.parse_args() assert(len(args) == 1) exlist = ExperimentListFactory.from_json_file(args[0]) assert(len(exlist) == 1) profile_model = ProfileModelList.load(params) rlist = flex.reflection_table.from_predictions_multi(exlist) rlist.compute_bbox(exlist, profile_model) rlist['shoebox'] = flex.shoebox(rlist['panel'], rlist['bbox']) rlist['shoebox'].allocate() rlist.extract_shoeboxes(exlist[0].imageset) show_reflection(rlist[len(rlist)//2]) #show_reflection(rlist[len(rlist)//2], orient = "porTrait") #show_reflection(rlist[len(rlist)//2], orient = "lanDscape")
dials_regression = libtbx.env.dist_path("dials_regression") except KeyError as e: print("FAIL: dials_regression not configured") exit(0) path = join(dials_regression, "centroid_test_data") import sys assert len(sys.argv) == 1 sys.argv.append(join(path, "experiments.json")) sys.argv.append(join(path, "profile.phil")) parser = OptionParser(phil=phil_scope) params, options, args = parser.parse_args() assert len(args) == 1 exlist = ExperimentListFactory.from_json_file(args[0]) assert len(exlist) == 1 profile_model = ProfileModelList.load(params) rlist = flex.reflection_table.from_predictions_multi(exlist) rlist.compute_bbox(exlist, profile_model) rlist["shoebox"] = flex.shoebox(rlist["panel"], rlist["bbox"]) rlist["shoebox"].allocate() rlist.extract_shoeboxes(exlist[0].imageset) show_reflection(rlist[len(rlist) // 2]) # show_reflection(rlist[len(rlist)//2], orient = "porTrait") # show_reflection(rlist[len(rlist)//2], orient = "lanDscape")