def test_run(dials_regression): filename = os.path.join(dials_regression, 'centroid_test_data', 'experiments.json') from dxtbx.model.experiment_list import ExperimentListFactory exlist = ExperimentListFactory.from_json_file(filename) assert len(exlist) == 1 from dials.array_family import flex rlist = flex.reflection_table.from_predictions_multi(exlist) from dials.algorithms.integration import CorrectionsMulti, Corrections corrector = CorrectionsMulti() for experiment in exlist: corrector.append( Corrections(experiment.beam, experiment.goniometer, experiment.detector)) lp1 = corrector.lp(rlist['id'], rlist['s1']) lp2 = flex.double([ LP_calculations(exlist[i], s1) for i, s1 in zip(rlist['id'], rlist['s1']) ]) diff = flex.abs(lp1 - lp2) assert diff.all_lt(1e-7)
def compute_corrections(self, experiments): """ Helper function to correct the intensity. :param experiments: The list of experiments :return: The LP correction for each reflection """ from dials.algorithms.integration import Corrections, CorrectionsMulti compute = CorrectionsMulti() for experiment in experiments: if experiment.goniometer is not None: compute.append( Corrections( experiment.beam, experiment.goniometer, experiment.detector ) ) else: compute.append(Corrections(experiment.beam, experiment.detector)) lp = compute.lp(self["id"], self["s1"]) self["lp"] = lp if experiment.detector[0].get_mu() > 0: qe = compute.qe(self["id"], self["s1"], self["panel"]) self["qe"] = qe return lp
def run(self): from dials.algorithms.integration import CorrectionsMulti, Corrections from dials.array_family import flex corrector = CorrectionsMulti() for experiment in self.exlist: corrector.append( Corrections(experiment.beam, experiment.goniometer, experiment.detector)) lp1 = corrector.lp(self.rlist['id'], self.rlist['s1']) lp2 = self.compute_expected() diff = flex.abs(lp1 - lp2) assert (diff.all_lt(1e-7)) print 'OK'
def run(self): from dials.algorithms.integration import CorrectionsMulti, Corrections from dials.array_family import flex corrector = CorrectionsMulti() for experiment in self.exlist: corrector.append(Corrections( experiment.beam, experiment.goniometer, experiment.detector)) lp1 = corrector.lp(self.rlist['id'], self.rlist['s1']) lp2 = self.compute_expected() diff = flex.abs(lp1 - lp2) assert(diff.all_lt(1e-7)) print 'OK'
def compute_corrections(self, experiments): ''' Helper function to correct the intensity. :param experiments: The list of experiments :return: The LP correction for each reflection ''' from dials.algorithms.integration import Corrections, CorrectionsMulti compute = CorrectionsMulti() for experiment in experiments: compute.append( Corrections(experiment.beam, experiment.goniometer, experiment.detector)) lp = compute.lp(self['id'], self['s1']) self['lp'] = lp if experiment.detector[0].get_mu() > 0: qe = compute.qe(self['id'], self['s1'], self['panel']) self['qe'] = qe return lp
def compute_corrections(self, experiments): ''' Helper function to correct the intensity. :param experiments: The list of experiments :return: The LP correction for each reflection ''' from dials.algorithms.integration import Corrections, CorrectionsMulti compute = CorrectionsMulti() for experiment in experiments: compute.append(Corrections( experiment.beam, experiment.goniometer, experiment.detector)) lp = compute.lp(self['id'], self['s1']) self['lp'] = lp if experiment.detector[0].get_mu() > 0: dqe = compute.dqe(self['id'], self['s1'], self['panel']) self['dqe'] = dqe return lp
def test_run(dials_data): filename = dials_data("centroid_test_data").join("experiments.json").strpath exlist = ExperimentListFactory.from_json_file(filename) assert len(exlist) == 1 rlist = flex.reflection_table.from_predictions_multi(exlist) corrector = CorrectionsMulti() for experiment in exlist: corrector.append( Corrections(experiment.beam, experiment.goniometer, experiment.detector) ) lp1 = corrector.lp(rlist["id"], rlist["s1"]) lp2 = flex.double( [LP_calculations(exlist[i], s1) for i, s1 in zip(rlist["id"], rlist["s1"])] ) diff = flex.abs(lp1 - lp2) assert diff.all_lt(1e-7)