from __future__ import (absolute_import, division, print_function) import mantid.simpleapi as mantid from isis_powder.routines import absorb_corrections, common from isis_powder.routines.common_enums import WORKSPACE_UNITS from isis_powder.routines.run_details import create_run_details_object, \ CustomFuncForRunDetails, RunDetailsWrappedCommonFuncs from isis_powder.polaris_routines import polaris_advanced_config from six import PY3 def calculate_van_absorb_corrections(ws_to_correct, multiple_scattering, is_vanadium): mantid.MaskDetectors(ws_to_correct, SpectraList=list(range(1, 55))) absorb_dict = polaris_advanced_config.absorption_correction_params sample_details_obj = absorb_corrections.create_vanadium_sample_details_obj(config_dict=absorb_dict) ws_to_correct = absorb_corrections.run_cylinder_absorb_corrections( ws_to_correct=ws_to_correct, multiple_scattering=multiple_scattering, sample_details_obj=sample_details_obj, is_vanadium=is_vanadium) return ws_to_correct def get_run_details(run_number_string, inst_settings, is_vanadium_run): cal_mapping_callable = CustomFuncForRunDetails().add_to_func_chain( user_function=RunDetailsWrappedCommonFuncs.get_cal_mapping_dict, run_number_string=run_number_string, inst_settings=inst_settings ).add_to_func_chain(user_function=polaris_get_chopper_config, inst_settings=inst_settings) # Get empty and vanadium err_message = "this must be under the relevant Rietveld or PDF mode." empty_run_callable = cal_mapping_callable.add_to_func_chain( user_function=RunDetailsWrappedCommonFuncs.cal_dictionary_key_helper, key="empty_run_numbers", append_to_error_message=err_message) vanadium_run_callable = cal_mapping_callable.add_to_func_chain( user_function=RunDetailsWrappedCommonFuncs.cal_dictionary_key_helper, key="vanadium_run_numbers", append_to_error_message=err_message) return create_run_details_object(run_number_string=run_number_string, inst_settings=inst_settings, is_vanadium_run=is_vanadium_run, empty_run_call=empty_run_callable, vanadium_run_call=vanadium_run_callable) def polaris_get_chopper_config(forwarded_value, inst_settings): # Forwarded value should be a cal mapping cal_mapping = forwarded_value return common.cal_map_dictionary_key_helper(cal_mapping, inst_settings.mode) def process_vanadium_for_focusing(bank_spectra, mask_path, spline_number): bragg_masking_list = _read_masking_file(mask_path) masked_workspace_list = _apply_bragg_peaks_masking(bank_spectra, mask_list=bragg_masking_list) output = common.spline_workspaces(focused_vanadium_spectra=masked_workspace_list, num_splines=spline_number) common.remove_intermediate_workspace(masked_workspace_list) return output def save_unsplined_vanadium(vanadium_ws, output_path): converted_workspaces = [] for ws_index in range(vanadium_ws.getNumberOfEntries()): ws = vanadium_ws.getItem(ws_index) previous_units = ws.getAxis(0).getUnit().unitID() if previous_units != WORKSPACE_UNITS.tof: ws = mantid.ConvertUnits(InputWorkspace=ws, Target=WORKSPACE_UNITS.tof) ws = mantid.RenameWorkspace(InputWorkspace=ws, OutputWorkspace="van_bank_{}".format(ws_index + 1)) converted_workspaces.append(ws) converted_group = mantid.GroupWorkspaces(",".join(ws.getName() for ws in converted_workspaces)) mantid.SaveNexus(InputWorkspace=converted_group, Filename=output_path, Append=False) mantid.DeleteWorkspace(converted_group) def _apply_bragg_peaks_masking(workspaces_to_mask, mask_list): output_workspaces = list(workspaces_to_mask) for ws_index, (bank_mask_list, workspace) in enumerate(zip(mask_list, output_workspaces)): output_name = "masked_vanadium-" + str(ws_index + 1) for mask_params in bank_mask_list: output_workspaces[ws_index] = mantid.MaskBins(InputWorkspace=output_workspaces[ws_index], OutputWorkspace=output_name, XMin=mask_params[0], XMax=mask_params[1]) return output_workspaces def _read_masking_file(masking_file_path): all_banks_masking_list = [] bank_masking_list = [] ignore_line_prefixes = (' ', '\n', '\t', '#') # Matches whitespace or # symbol # Python 3 requires the encoding to be included so an Angstrom # symbol can be read, I'm assuming all file read here are # `latin-1` which may not be true in the future. Python 2 `open` # doesn't have an encoding option if PY3: encoding = {"encoding": "latin-1"} else: encoding = {} with open(masking_file_path, **encoding) as mask_file: for line in mask_file: if line.startswith(ignore_line_prefixes): # Push back onto new bank if bank_masking_list: all_banks_masking_list.append(bank_masking_list) bank_masking_list = [] else: # Parse and store in current list line.rstrip() bank_masking_list.append(line.split()) if bank_masking_list: all_banks_masking_list.append(bank_masking_list) return all_banks_masking_list