def compute(self): ''' Integrate the data ''' from dials.algorithms.integration.image_integrator import ProcessorImage from dials.util.command_line import heading # Init the report self.profile_model_report = None self.integration_report = None # Create summary format fmt = ( ' Processing the following experiments:\n' '\n' ' Experiments: %d\n' ' Beams: %d\n' ' Detectors: %d\n' ' Goniometers: %d\n' ' Scans: %d\n' ' Crystals: %d\n' ' Imagesets: %d\n' ) # Print the summary logger.info(fmt % ( len(self.experiments), len(self.experiments.beams()), len(self.experiments.detectors()), len(self.experiments.goniometers()), len(self.experiments.scans()), len(self.experiments.crystals()), len(self.experiments.imagesets()))) # Print a heading logger.info("=" * 80) logger.info("") logger.info(heading("Modelling background")) logger.info("") # Compute some reflection properties self.reflections.compute_zeta_multi(self.experiments) self.reflections.compute_d(self.experiments) self.reflections.compute_bbox(self.experiments) # Construvt the image integrator processor processor = ProcessorImage( self.experiments, self.reflections, self.params) processor.executor = BackgroundModellerExecutor( self.experiments, self.params) # Do the processing _, time_info = processor.process() # Compute the model self.model = processor.executor.finalize_model() # Print the time info logger.info(str(time_info)) logger.info("") # Return the reflections return self.model
def compute(self): """ Integrate the data """ from dials.algorithms.integration.image_integrator import ProcessorImage from dials.util.command_line import heading # Init the report self.profile_model_report = None self.integration_report = None # Create summary format fmt = (" Processing the following experiments:\n" "\n" " Experiments: %d\n" " Beams: %d\n" " Detectors: %d\n" " Goniometers: %d\n" " Scans: %d\n" " Crystals: %d\n" " Imagesets: %d\n") # Print the summary logger.info(fmt % ( len(self.experiments), len(self.experiments.beams()), len(self.experiments.detectors()), len(self.experiments.goniometers()), len(self.experiments.scans()), len(self.experiments.crystals()), len(self.experiments.imagesets()), )) # Print a heading logger.info("=" * 80) logger.info("") logger.info(heading("Modelling background")) logger.info("") # Expand n_sigma for expt in self.experiments: expt.profile._n_sigma += 2 # Compute some reflection properties self.reflections.compute_zeta_multi(self.experiments) self.reflections.compute_d(self.experiments) self.reflections.compute_bbox(self.experiments) # Construvt the image integrator processor processor = ProcessorImage(self.experiments, self.reflections, self.params) processor.executor = BackgroundModellerExecutor( self.experiments, self.params) # Do the processing _, time_info = processor.process() # Compute the model self.model = processor.executor.finalize_model() # Print the time info logger.info(str(time_info)) logger.info("") # Return the reflections return self.model