def PyExec(self): # Get peaks in dSpacing from file, and check we have what we need, before doing anything expected_peaks_d = EnggUtils.read_in_expected_peaks(self.getPropertyValue("ExpectedPeaksFromFile"), self.getProperty('ExpectedPeaks').value) if len(expected_peaks_d) < 1: raise ValueError("Cannot run this algorithm without any input expected peaks") in_wks = self.getProperty('Workspace').value wks_indices = EnggUtils.get_ws_indices_from_input_properties(in_wks, self.getProperty('Bank').value, self.getProperty(self.INDICES_PROP_NAME).value) van_wks = self.getProperty("VanadiumWorkspace").value van_integ_wks = self.getProperty('VanIntegrationWorkspace').value van_curves_wks = self.getProperty('VanCurvesWorkspace').value # These corrections rely on ToF<->Dspacing conversions, so ideally they'd be done after the # calibration step, which creates a cycle / chicken-and-egg issue. EnggUtils.apply_vanadium_corrections(self, in_wks, wks_indices, van_wks, van_integ_wks, van_curves_wks) rebinned_ws = self._prepare_ws_for_fitting(in_wks, self.getProperty('RebinBinWidth').value) pos_tbl, peaks_tbl = self._calculate_calib_positions_tbl(rebinned_ws, wks_indices, expected_peaks_d) # Produce 2 results: 'output table' and 'apply calibration' + (optional) calibration file self.setProperty("OutDetPosTable", pos_tbl) self.setProperty("FittedPeaks", peaks_tbl) self._apply_calibration_table(in_wks, pos_tbl) self._output_det_pos_file(self.getPropertyValue('OutDetPosFilename'), pos_tbl)
def PyExec(self): # Get the run workspace input_ws = self.getProperty('InputWorkspace').value # Get spectra indices either from bank or direct list of indices, checking for errors bank = self.getProperty('Bank').value spectra = self.getProperty(self.INDICES_PROP_NAME).value indices = EnggUtils.get_ws_indices_from_input_properties(input_ws, bank, spectra) detector_positions = self.getProperty("DetectorPositions").value n_reports = 8 prog = Progress(self, start=0, end=1, nreports=n_reports) # Leave only the data for the bank/spectra list requested prog.report('Selecting spectra from input workspace') input_ws = EnggUtils.crop_data(self, input_ws, indices) prog.report('Masking some bins if requested') self._mask_bins(input_ws, self.getProperty('MaskBinsXMins').value, self.getProperty('MaskBinsXMaxs').value) prog.report('Applying vanadium corrections') # Leave data for the same bank in the vanadium workspace too vanadium_ws = self.getProperty('VanadiumWorkspace').value van_integration_ws = self.getProperty('VanIntegrationWorkspace').value van_curves_ws = self.getProperty('VanCurvesWorkspace').value EnggUtils.apply_vanadium_corrections(parent=self, ws=input_ws, indices=indices, vanadium_ws=vanadium_ws, van_integration_ws=van_integration_ws, van_curves_ws=van_curves_ws, progress_range=(0.65, 0.8)) prog.report("Applying calibration if requested") # Apply calibration if detector_positions: self._apply_calibration(input_ws, detector_positions) # Convert to dSpacing prog.report("Converting to d") input_ws = EnggUtils.convert_to_d_spacing(self, input_ws) prog.report('Summing spectra') # Sum the values across spectra input_ws = EnggUtils.sum_spectra(self, input_ws) prog.report('Preparing output workspace') # Convert back to time of flight input_ws = EnggUtils.convert_to_TOF(self, input_ws) prog.report('Normalizing input workspace if needed') if self.getProperty('NormaliseByCurrent').value: self._normalize_by_current(input_ws) # OpenGenie displays distributions instead of pure counts (this is done implicitly when # converting units), so I guess that's what users will expect self._convert_to_distribution(input_ws) if bank: self._add_bank_number(input_ws, bank) self.setProperty("OutputWorkspace", input_ws)
def PyExec(self): # Get the run workspace input_ws = self.getProperty('InputWorkspace').value # Get spectra indices either from bank or direct list of indices, checking for errors bank = self.getProperty('Bank').value spectra = self.getProperty(self.INDICES_PROP_NAME).value indices = EnggUtils.get_ws_indices_from_input_properties(input_ws, bank, spectra) detector_positions = self.getProperty("DetectorPositions").value n_reports = 8 prog = Progress(self, start=0, end=1, nreports=n_reports) # Leave only the data for the bank/spectra list requested prog.report('Selecting spectra from input workspace') input_ws = EnggUtils.crop_data(self, input_ws, indices) prog.report('Masking some bins if requested') self._mask_bins(input_ws, self.getProperty('MaskBinsXMins').value, self.getProperty('MaskBinsXMaxs').value) prog.report('Applying vanadium corrections') # Leave data for the same bank in the vanadium workspace too vanadium_ws = self.getProperty('VanadiumWorkspace').value van_integration_ws = self.getProperty('VanIntegrationWorkspace').value van_curves_ws = self.getProperty('VanCurvesWorkspace').value EnggUtils.apply_vanadium_corrections(parent=self, ws=input_ws, indices=indices, vanadium_ws=vanadium_ws, van_integration_ws=van_integration_ws, van_curves_ws=van_curves_ws, progress_range=(0.65, 0.8)) prog.report("Applying calibration if requested") # Apply calibration if detector_positions: self._apply_calibration(input_ws, detector_positions) # Convert to dSpacing prog.report("Converting to d") input_ws = EnggUtils.convert_to_d_spacing(self, input_ws) prog.report('Summing spectra') # Sum the values across spectra input_ws = EnggUtils.sum_spectra(self, input_ws) prog.report('Preparing output workspace') # Convert back to time of flight input_ws = EnggUtils.convert_to_TOF(self, input_ws) prog.report('Normalizing input workspace if needed') if self.getProperty('NormaliseByCurrent').value: self._normalize_by_current(input_ws) # OpenGenie displays distributions instead of pure counts (this is done implicitly when # converting units), so I guess that's what users will expect self._convert_to_distribution(input_ws) self._add_bank_number(input_ws, bank) self.setProperty("OutputWorkspace", input_ws)