From 307b02799ba59bb7dd8b5bd3b80f65600f67ff36 Mon Sep 17 00:00:00 2001
From: David Fairbrother <DavidFair@users.noreply.github.com>
Date: Tue, 6 Dec 2016 11:26:07 +0000
Subject: [PATCH] Re #18108 Reworked outputs from vanadium calibration
---
.../tests/analysis/ISIS_PowderPearlTest.py | 2 +-
...SIS_PowderPEARL95634-95647_Van_Cal.nxs.md5 | 2 +-
.../Diffraction/isis_powder/abstract_inst.py | 8 +-
scripts/Diffraction/isis_powder/pearl.py | 15 ++-
.../isis_powder/pearl_routines/pearl_algs.py | 22 ----
.../pearl_routines/pearl_output.py | 18 +--
.../pearl_routines/pearl_spline.py | 106 +++++-------------
scripts/Diffraction/isis_powder/polaris.py | 21 ++--
.../polaris_routines/polaris_algs.py | 8 +-
.../isis_powder/routines/calibrate.py | 43 +++----
.../isis_powder/routines/common.py | 32 ++++--
.../Diffraction/isis_powder/routines/focus.py | 2 +-
12 files changed, 111 insertions(+), 168 deletions(-)
diff --git a/Testing/SystemTests/tests/analysis/ISIS_PowderPearlTest.py b/Testing/SystemTests/tests/analysis/ISIS_PowderPearlTest.py
index 6741ea52e66..e5fb7982302 100644
--- a/Testing/SystemTests/tests/analysis/ISIS_PowderPearlTest.py
+++ b/Testing/SystemTests/tests/analysis/ISIS_PowderPearlTest.py
@@ -10,8 +10,8 @@ from isis_powder.pearl import Pearl
DIRS = config['datasearch.directories'].split(';')
-class VanadiumCalibrationTest(stresstesting.MantidStressTest):
+class VanadiumCalibrationTest(stresstesting.MantidStressTest):
calibration_results = None
existing_config = config['datasearch.directories']
diff --git a/Testing/SystemTests/tests/analysis/reference/ISIS_PowderPEARL95634-95647_Van_Cal.nxs.md5 b/Testing/SystemTests/tests/analysis/reference/ISIS_PowderPEARL95634-95647_Van_Cal.nxs.md5
index d5eb27e8f3a..42890acecb3 100644
--- a/Testing/SystemTests/tests/analysis/reference/ISIS_PowderPEARL95634-95647_Van_Cal.nxs.md5
+++ b/Testing/SystemTests/tests/analysis/reference/ISIS_PowderPEARL95634-95647_Van_Cal.nxs.md5
@@ -1 +1 @@
-0fd97ee147b3f8f8ca461e7dbcb65020
+3bca903e6dc91cd658c01efc75e5881a
diff --git a/scripts/Diffraction/isis_powder/abstract_inst.py b/scripts/Diffraction/isis_powder/abstract_inst.py
index e5de6e83581..b9affec5cf8 100644
--- a/scripts/Diffraction/isis_powder/abstract_inst.py
+++ b/scripts/Diffraction/isis_powder/abstract_inst.py
@@ -65,10 +65,9 @@ class AbstractInst(object):
# These are to be called from either concrete instruments or common not by users
# Common steps to all instruments
- def _create_calibration_vanadium(self, vanadium_runs, empty_runs, output_file_name=None,
+ def _create_calibration_vanadium(self, vanadium_runs, empty_runs,
do_absorb_corrections=True, gen_absorb_correction=False):
return calibrate.create_van(instrument=self, van=vanadium_runs, empty=empty_runs,
- output_van_file_name=output_file_name,
absorb=do_absorb_corrections, gen_absorb=gen_absorb_correction)
def _focus(self, run_number, input_batching, do_attenuation, do_van_normalisation):
@@ -159,9 +158,12 @@ class AbstractInst(object):
def pearl_rebin_to_workspace(self, ws_to_rebin, ws_to_match):
return ws_to_rebin
- def spline_vanadium_ws(self, focused_vanadium_ws, instrument_version=''):
+ def spline_vanadium_ws(self, focused_vanadium_ws):
return None
+ def extract_and_crop_spectra(self, focused_ws):
+ raise NotImplemented("Extract spectra and crop in tof not implemented")
+
# ----- Private Implementation ----- #
# These should only be called by the abstract instrument class
diff --git a/scripts/Diffraction/isis_powder/pearl.py b/scripts/Diffraction/isis_powder/pearl.py
index 36c34a665c9..4a90c2b5f6a 100644
--- a/scripts/Diffraction/isis_powder/pearl.py
+++ b/scripts/Diffraction/isis_powder/pearl.py
@@ -47,7 +47,6 @@ class Pearl(AbstractInst):
self._spline_coeff = num_of_splines
return self._create_calibration_vanadium(vanadium_runs=vanadium_runs, empty_runs=empty_runs,
- output_file_name=output_file_name,
do_absorb_corrections=do_absorb_corrections,
gen_absorb_correction=gen_absorb_correction)
@@ -137,11 +136,10 @@ class Pearl(AbstractInst):
def get_monitor_spectra_index(self, run_number):
return get_monitor_spectra(run_number=run_number, focus_mode=self._focus_mode)
- def spline_vanadium_ws(self, focused_vanadium_ws, instrument_version=''):
+ def spline_vanadium_ws(self, focused_vanadium_spectra):
# TODO move spline number into the class
- return pearl_spline.spline_vanadium_for_focusing(focused_vanadium_ws=focused_vanadium_ws,
- spline_number=self._spline_coeff,
- instrument_version=instrument_version)
+ return pearl_spline.spline_vanadium_for_focusing(focused_vanadium_spectra=focused_vanadium_spectra,
+ num_splines=self._spline_coeff)
def pearl_focus_tof_rebinning(self, workspace):
out_name = workspace.name() + "_rebinned"
@@ -161,10 +159,15 @@ class Pearl(AbstractInst):
perform_attenuation=attenuate)
def vanadium_calibration_rebinning(self, vanadium_ws):
- out_ws = pearl_algs.apply_tof_rebinning(ws_to_rebin=vanadium_ws, tof_params=self._create_van_tof_binning)
+ out_ws = common.crop_in_tof(ws_to_rebin=vanadium_ws, x_min=1500, x_max=19900, is_mixed_binning=True)
return out_ws
+ def extract_and_crop_spectra(self, focused_ws):
+ ws_spectra = common.extract_ws_spectra(ws_to_split=focused_ws)
+ ws_spectra = common.crop_in_tof(ws_to_rebin=ws_spectra, x_min=1500, x_max=19900)
+ return ws_spectra
+
def crop_data_tail(self, ws_to_crop):
# TODO move this param into advanced config
out_ws = mantid.CropWorkspace(XMax="19900", InputWorkspace=ws_to_crop, OutputWorkspace=ws_to_crop)
diff --git a/scripts/Diffraction/isis_powder/pearl_routines/pearl_algs.py b/scripts/Diffraction/isis_powder/pearl_routines/pearl_algs.py
index c604a9c6d56..052f6608395 100644
--- a/scripts/Diffraction/isis_powder/pearl_routines/pearl_algs.py
+++ b/scripts/Diffraction/isis_powder/pearl_routines/pearl_algs.py
@@ -18,14 +18,6 @@ def attenuate_workspace(attenuation_file_path, ws_to_correct):
return pearl_attenuated_ws
-def apply_tof_rebinning(ws_to_rebin, tof_params):
- previous_units = ws_to_rebin.getAxis(0).getUnit().unitID()
- ws_to_rebin = mantid.ConvertUnits(InputWorkspace=ws_to_rebin, Target="TOF", OutputWorkspace=ws_to_rebin)
- rebinned_ws = mantid.Rebin(InputWorkspace=ws_to_rebin, Params=tof_params, OutputWorkspace=ws_to_rebin)
- rebinned_ws = mantid.ConvertUnits(InputWorkspace=rebinned_ws, Target=previous_units, OutputWorkspace=rebinned_ws)
- return rebinned_ws
-
-
def generate_vanadium_absorb_corrections(van_ws):
raise NotImplementedError("Generating absorption corrections needs to be implemented correctly")
@@ -44,20 +36,6 @@ def generate_vanadium_absorb_corrections(van_ws):
return absorb_ws
-def get_instrument_ranges(instrument_version):
- # TODO rename this to get number of banks/save range
- if instrument_version == "new" or instrument_version == "old": # New and old have identical ranges
- num_of_banks = 12
- save_range = 3
- elif instrument_version == "new2":
- num_of_banks = 14
- save_range = 5
- else:
- raise ValueError("Instrument version unknown")
-
- return num_of_banks, save_range
-
-
def get_run_details(tt_mode, run_number_string, label, calibration_dir):
calibration_file, grouping_file, van_absorb, van_file = \
pearl_calib_factory.get_calibration_filename(cycle=label, tt_mode=tt_mode)
diff --git a/scripts/Diffraction/isis_powder/pearl_routines/pearl_output.py b/scripts/Diffraction/isis_powder/pearl_routines/pearl_output.py
index 6566318d5eb..94aa9810b25 100644
--- a/scripts/Diffraction/isis_powder/pearl_routines/pearl_output.py
+++ b/scripts/Diffraction/isis_powder/pearl_routines/pearl_output.py
@@ -9,21 +9,16 @@ import isis_powder.routines.common as common
def generate_and_save_focus_output(instrument, processed_spectra, run_details, perform_attenuation, focus_mode=None):
output_file_paths = instrument._generate_out_file_paths(run_details=run_details)
- save_range = instrument.get_save_range(run_details.instrument_version)
if focus_mode == "all":
processed_nexus_files = _focus_mode_all(output_file_paths, processed_spectra)
-
elif focus_mode == "groups":
- processed_nexus_files = _focus_mode_groups(run_details.instrument_version, output_file_paths, save_range,
+ processed_nexus_files = _focus_mode_groups(run_details.instrument_version, output_file_paths,
processed_spectra)
-
elif focus_mode == "trans":
processed_nexus_files = _focus_mode_trans(output_file_paths, perform_attenuation, instrument, processed_spectra)
-
elif focus_mode == "mods":
processed_nexus_files = _focus_mode_mods(output_file_paths, processed_spectra)
-
else:
raise ValueError("Focus mode unknown")
@@ -89,7 +84,7 @@ def _focus_mode_trans(output_file_paths, atten, instrument, calibrated_spectra):
return output_list
-def _focus_mode_groups(instrument_version, output_file_paths, save_range, calibrated_spectra):
+def _focus_mode_groups(instrument_version, output_file_paths, calibrated_spectra):
output_list = []
to_save = _sum_groups_of_three_ws(calibrated_spectra, output_file_paths)
@@ -115,6 +110,7 @@ def _focus_mode_groups(instrument_version, output_file_paths, save_range, calibr
append = True
index += 1
+ save_range = 5
for i in range(0, save_range):
monitor_ws_name = output_file_paths["output_name"] + "_mod" + str(i + 10)
@@ -134,10 +130,6 @@ def _focus_mode_all(output_file_paths, processed_spectra):
summed_spectra_name = output_file_paths["output_name"] + "_mods1-9"
summed_spectra = mantid.MergeRuns(InputWorkspaces=processed_spectra[:9], OutputWorkspace=summed_spectra_name)
- #summed_spectra = mantid.CloneWorkspace(InputWorkspace=processed_spectra[0], OutputWorkspace=summed_spectra_name)
- #for ws in processed_spectra[1:9]:
- # summed_spectra = mantid.Plus(LHSWorkspace=summed_spectra, RHSWorkspace=ws, OutputWorkspace=summed_spectra_name)
-
summed_spectra = mantid.Scale(InputWorkspace=summed_spectra, Factor=0.111111111111111,
OutputWorkspace=summed_spectra_name)
summed_spectra = mantid.ConvertUnits(InputWorkspace=summed_spectra, Target="TOF",
@@ -188,6 +180,6 @@ def _sum_groups_of_three_ws(calibrated_spectra, output_file_names):
workspace_names = output_file_names["output_name"] + "_mod" + mod_first_number + '-' + mod_last_number
output_list.append(mantid.Scale(InputWorkspace=workspace_list[outer_loop_count],
OutputWorkspace=workspace_names, Factor=0.333333333333))
- for ws in workspace_list:
- common.remove_intermediate_workspace(ws)
+
+ common.remove_intermediate_workspace(workspace_list)
return output_list
diff --git a/scripts/Diffraction/isis_powder/pearl_routines/pearl_spline.py b/scripts/Diffraction/isis_powder/pearl_routines/pearl_spline.py
index dd2ca712329..b8ecc0edb16 100644
--- a/scripts/Diffraction/isis_powder/pearl_routines/pearl_spline.py
+++ b/scripts/Diffraction/isis_powder/pearl_routines/pearl_spline.py
@@ -5,83 +5,39 @@ import isis_powder.routines.common as common
from isis_powder.pearl_routines import pearl_algs
-def spline_vanadium_for_focusing(focused_vanadium_ws, spline_number, instrument_version):
- if instrument_version == "new2" or instrument_version == "new":
- out_list = _van_spline_new_instruments(in_workspace=focused_vanadium_ws, num_splines=spline_number,
- instrument_version=instrument_version)
- elif instrument_version == "old":
- out_list = _van_spline_old_instrument(in_workspace=focused_vanadium_ws)
- else:
- raise ValueError("Spline Background - PEARL: Instrument version unknown")
-
- return out_list
-
-
-def _perform_spline_range(num_of_banks, num_splines, stripped_ws):
- splined_ws_list = []
- for i in range(0, num_of_banks):
- out_ws_name = "spline" + str(i + 1)
- splined_ws_list.append(mantid.SplineBackground(InputWorkspace=stripped_ws, OutputWorkspace=out_ws_name,
- WorkspaceIndex=i, NCoeff=num_splines))
- return splined_ws_list
-
-
-def _strip_peaks_new_inst(input_ws, alg_range):
- van_stripped_ws = mantid.StripPeaks(InputWorkspace=input_ws, FWHM=15, Tolerance=8, WorkspaceIndex=0)
- for i in range(1, alg_range):
- van_stripped_ws = mantid.StripPeaks(InputWorkspace=van_stripped_ws, FWHM=15, Tolerance=8,
- WorkspaceIndex=i)
-
- return van_stripped_ws
-
-
-def _van_spline_new_instruments(in_workspace, num_splines, instrument_version):
+def spline_vanadium_for_focusing(focused_vanadium_spectra, num_splines):
# remove bragg peaks before spline
- alg_range, unused = pearl_algs.get_instrument_ranges(instrument_version)
- van_stripped_ws = _strip_peaks_new_inst(in_workspace, alg_range)
+ stripped_peaks_list = []
+ for ws in focused_vanadium_spectra:
+ out_name = ws.name() + "_stripped"
+ # We have to clone the workspace - if no peaks are found it trashes the list
+ # as it assigns to new name to the previous list
+ stripped_ws = mantid.CloneWorkspace(InputWorkspace=ws, OutputWorkspace=out_name)
+ stripped_peaks_list.append(mantid.StripPeaks(InputWorkspace=stripped_ws, FWHM=15, Tolerance=8,
+ OutputWorkspace=out_name))
+
+ # run twice on low angle as peaks are very broad
+ for i in range(0, 2):
+ mantid.StripPeaks(InputWorkspace=stripped_peaks_list[12], FWHM=100, Tolerance=10,
+ OutputWorkspace=stripped_peaks_list[12])
+
+ mantid.StripPeaks(InputWorkspace=stripped_peaks_list[13], FWHM=60, Tolerance=10,
+ OutputWorkspace=stripped_peaks_list[13])
+
+ tof_ws_list = []
+ for ws in stripped_peaks_list:
+ out_name = ws.name() + "_TOF"
+ tof_ws_list.append(mantid.ConvertUnits(InputWorkspace=ws, Target="TOF", OutputWorkspace=out_name))
+ common.remove_intermediate_workspace(ws)
- if instrument_version == "new2":
- # run twice on low angle as peaks are very broad
- for i in range(0, 2):
- van_stripped_ws = mantid.StripPeaks(InputWorkspace=van_stripped_ws, FWHM=100, Tolerance=10,
- WorkspaceIndex=12)
- van_stripped_ws = mantid.StripPeaks(InputWorkspace=van_stripped_ws, FWHM=60, Tolerance=10,
- WorkspaceIndex=13)
-
- van_stripped_ws = mantid.ConvertUnits(InputWorkspace=van_stripped_ws, Target="TOF")
+ splined_ws_list = []
+ bank_index = 0
+ for ws in tof_ws_list:
+ bank_index += 1
+ out_ws_name = "spline_bank_" + str(bank_index + 1)
+ splined_ws_list.append(mantid.SplineBackground(InputWorkspace=ws, OutputWorkspace=out_ws_name,
+ NCoeff=num_splines))
+ common.remove_intermediate_workspace(ws)
- splined_ws_list = _perform_spline_range(alg_range, num_splines, van_stripped_ws)
- common.remove_intermediate_workspace(van_stripped_ws)
return splined_ws_list
-
-def _van_spline_old_instrument(in_workspace):
- van_stripped = mantid.ConvertUnits(InputWorkspace=in_workspace, Target="dSpacing")
-
- # remove bragg peaks before spline
- van_stripped = mantid.StripPeaks(InputWorkspace=van_stripped, FWHM=15, Tolerance=6, WorkspaceIndex=0)
- van_stripped = mantid.StripPeaks(InputWorkspace=van_stripped, FWHM=15, Tolerance=6, WorkspaceIndex=2)
- van_stripped = mantid.StripPeaks(InputWorkspace=van_stripped, FWHM=15, Tolerance=6, WorkspaceIndex=3)
- van_stripped = mantid.StripPeaks(InputWorkspace=van_stripped, FWHM=40, Tolerance=12, WorkspaceIndex=1)
- van_stripped = mantid.StripPeaks(InputWorkspace=van_stripped, FWHM=60, Tolerance=12, WorkspaceIndex=1)
-
- # Mask low d region that is zero before spline
- for reg in range(0, 4):
- if reg == 1:
- van_stripped = mantid.MaskBins(InputWorkspace=van_stripped, XMin=0, XMax=0.14, SpectraList=reg)
- else:
- van_stripped = mantid.MaskBins(InputWorkspace=van_stripped, XMin=0, XMax=0.06, SpectraList=reg)
-
- van_stripped = mantid.ConvertUnits(InputWorkspace=van_stripped, Target="TOF")
-
- splined_ws_list = []
- for i in range(0, 4):
- out_ws_name = "spline" + str(i+1)
- if i == 1:
- coeff = 80
- else:
- coeff = 100
- splined_ws_list.append(mantid.SplineBackground(InputWorkspace=van_stripped, OutputWorkspace=out_ws_name,
- WorkspaceIndex=i, NCoeff=coeff))
- common.remove_intermediate_workspace(van_stripped)
- return splined_ws_list
diff --git a/scripts/Diffraction/isis_powder/polaris.py b/scripts/Diffraction/isis_powder/polaris.py
index 3f4ad09d093..6281972c261 100644
--- a/scripts/Diffraction/isis_powder/polaris.py
+++ b/scripts/Diffraction/isis_powder/polaris.py
@@ -106,36 +106,41 @@ class Polaris(AbstractInst):
return spectra_name
- def spline_vanadium_ws(self, focused_vanadium_ws, instrument_version=''):
- extracted_spectra = common.extract_bank_spectra(focused_vanadium_ws, self._number_of_banks)
+ def spline_vanadium_ws(self, focused_vanadium_spectra, instrument_version=''):
mode = "spline"
masking_file_path = os.path.join(self.calibration_dir, self._masking_file_name)
- output = polaris_algs.process_vanadium_for_focusing(bank_spectra=extracted_spectra,
+ output = polaris_algs.process_vanadium_for_focusing(bank_spectra=focused_vanadium_spectra,
spline_number=self._spline_coeff,
mode=mode, mask_path=masking_file_path)
- for ws in extracted_spectra:
- common.remove_intermediate_workspace(ws)
-
return output
def generate_vanadium_absorb_corrections(self, calibration_full_paths, ws_to_match):
return polaris_algs.generate_absorb_corrections(ws_to_match=ws_to_match)
+ def vanadium_calibration_rebinning(self, vanadium_ws):
+ common.crop_in_tof(ws_to_rebin=vanadium_ws, x_max=19900, is_mixed_binning=True)
+ # TODO find out maximum TOF value for POLARIS
+
+ def extract_and_crop_spectra(self, focused_ws):
+ ws_spectra = common.extract_ws_spectra(ws_to_split=focused_ws)
+ ws_spectra = common.crop_in_tof(ws_to_rebin=ws_spectra, x_min=800, x_max=20000)
+ return ws_spectra
+
def calculate_focus_binning_params(self, sample):
calculated_binning_params = polaris_algs.calculate_focus_binning_params(sample_ws=sample,
num_of_banks=self._number_of_banks)
return calculated_binning_params
- def output_focused_ws(self, processed_spectra, run_details, attenuate=False):
+ def output_focused_ws(self, processed_spectra, run_details, output_mode=None, attenuate=False):
d_spacing_group, tof_group = polaris_algs.split_into_tof_d_spacing_groups(processed_spectra)
output_paths = self._generate_out_file_paths(run_details=run_details)
polaris_output.save_polaris_focused_data(d_spacing_group=d_spacing_group, tof_group=tof_group,
output_paths=output_paths, run_number=run_details.run_number)
- return d_spacing_group, tof_group
+ return d_spacing_group
def _set_kwargs_from_basic_config_file(config_path, kwargs):
diff --git a/scripts/Diffraction/isis_powder/polaris_routines/polaris_algs.py b/scripts/Diffraction/isis_powder/polaris_routines/polaris_algs.py
index 2fc5aea0f3f..a789dd5ab7c 100644
--- a/scripts/Diffraction/isis_powder/polaris_routines/polaris_algs.py
+++ b/scripts/Diffraction/isis_powder/polaris_routines/polaris_algs.py
@@ -103,6 +103,8 @@ def get_run_details(chopper_on, sac_on, run_number_string, calibration_dir, mapp
def split_into_tof_d_spacing_groups(processed_spectra):
+ import pydevd
+ pydevd.settrace('localhost', port=51205, stdoutToServer=True, stderrToServer=True)
name_index = 1
d_spacing_output = []
tof_output = []
@@ -110,9 +112,9 @@ def split_into_tof_d_spacing_groups(processed_spectra):
d_spacing_out_name = "ResultD-" + str(name_index)
tof_out_name = "ResultTOF-" + str(name_index)
name_index += 1
- # Rename d-spacing workspaces
- d_spacing_output.append(mantid.CloneWorkspace(InputWorkspace=ws, OutputWorkspace=d_spacing_out_name))
- # Convert to TOF
+
+ d_spacing_output.append(mantid.ConvertUnits(InputWorkspace=ws, OutputWorkspace=d_spacing_out_name,
+ Target="dSpacing"))
tof_output.append(mantid.ConvertUnits(InputWorkspace=ws, OutputWorkspace=tof_out_name, Target="TOF"))
# Group the outputs
diff --git a/scripts/Diffraction/isis_powder/routines/calibrate.py b/scripts/Diffraction/isis_powder/routines/calibrate.py
index 162849662f0..13f27f962ad 100644
--- a/scripts/Diffraction/isis_powder/routines/calibrate.py
+++ b/scripts/Diffraction/isis_powder/routines/calibrate.py
@@ -1,14 +1,12 @@
from __future__ import (absolute_import, division, print_function)
-import os
-
import mantid.simpleapi as mantid
import isis_powder.routines.common as common
from isis_powder.routines.common_enums import InputBatchingEnum
-def create_van(instrument, van, empty, output_van_file_name, absorb, gen_absorb):
+def create_van(instrument, van, empty, absorb, gen_absorb):
run_details = instrument.get_run_details(run_number=van)
# Always sum a range of inputs as its a vanadium run over multiple captures
input_van_ws_list = common.load_current_normalised_ws_list(run_number_string=van, instrument=instrument,
@@ -17,7 +15,7 @@ def create_van(instrument, van, empty, output_van_file_name, absorb, gen_absorb)
corrected_van_ws = common.subtract_sample_empty(ws_to_correct=input_van_ws, empty_sample_ws_string=empty,
instrument=instrument)
- # TODO get POLARIS to crop the tail end of data here
+ # Crop the tail end of the data on PEARL if they are not capturing slow neutrons
corrected_van_ws = instrument.crop_data_tail(ws_to_crop=corrected_van_ws)
corrected_van_ws = mantid.AlignDetectors(InputWorkspace=corrected_van_ws,
@@ -30,21 +28,23 @@ def create_van(instrument, van, empty, output_van_file_name, absorb, gen_absorb)
run_details=run_details,
corrected_van_ws=corrected_van_ws, gen_absorb=gen_absorb)
- focused_van_file = mantid.DiffractionFocussing(InputWorkspace=corrected_van_ws,
+ focused_vanadium = mantid.DiffractionFocussing(InputWorkspace=corrected_van_ws,
GroupingFileName=run_details.grouping)
- # TODO get POLARIS to apply rebinning here too
- focused_van_file = instrument. vanadium_calibration_rebinning(vanadium_ws=focused_van_file)
- focused_output = _save_focused_vanadium(instrument=instrument, run_details=run_details,
- focused_vanadium_ws=focused_van_file)
+ focused_cropped_spectra = instrument.extract_and_crop_spectra(focused_ws=focused_vanadium)
+ d_spacing_group = _save_focused_vanadium(instrument=instrument, run_details=run_details,
+ cropped_spectra=focused_cropped_spectra)
+ _create_vanadium_splines(focused_cropped_spectra, instrument, run_details)
+
common.remove_intermediate_workspace(corrected_van_ws)
+ common.remove_intermediate_workspace(focused_vanadium)
+ common.remove_intermediate_workspace(focused_cropped_spectra)
- _create_vanadium_splines(focused_van_file, instrument, run_details)
- return focused_output
+ return d_spacing_group
-def _create_vanadium_splines(focused_van_file, instrument, run_details):
- splined_ws_list = instrument.spline_vanadium_ws(focused_van_file, run_details.instrument_version)
+def _create_vanadium_splines(focused_spectra, instrument, run_details):
+ splined_ws_list = instrument.spline_vanadium_ws(focused_spectra)
out_spline_van_file_path = run_details.splined_vanadium
append = False
for ws in splined_ws_list:
@@ -72,16 +72,7 @@ def _apply_absorb_corrections(instrument, run_details, corrected_van_ws, gen_abs
return corrected_van_ws
-def _save_focused_vanadium(instrument, run_details, focused_vanadium_ws):
- number_of_spectra = focused_vanadium_ws.getNumberHistograms()
- ws_spectra_list = []
- for i in range(0, number_of_spectra):
- out_spectra_name = focused_vanadium_ws.name() + "_bank-" + str(i + 1)
- ws_spectra_list.append(mantid.ExtractSingleSpectrum(InputWorkspace=focused_vanadium_ws, WorkspaceIndex=i,
- OutputWorkspace=out_spectra_name))
- output_list = instrument.output_focused_ws(processed_spectra=ws_spectra_list, run_details=run_details,
- output_mode="all")
- common.remove_intermediate_workspace(ws_spectra_list)
-
- group_name = instrument.generate_inst_file_name(run_details.run_number) + "_focused"
- return mantid.GroupWorkspaces(InputWorkspaces=output_list, OutputWorkspace=group_name)
+def _save_focused_vanadium(instrument, run_details, cropped_spectra):
+ d_spacing_group = instrument.output_focused_ws(processed_spectra=cropped_spectra,
+ run_details=run_details, output_mode="all")
+ return d_spacing_group
diff --git a/scripts/Diffraction/isis_powder/routines/common.py b/scripts/Diffraction/isis_powder/routines/common.py
index ea18d0e3693..5cc77f59134 100644
--- a/scripts/Diffraction/isis_powder/routines/common.py
+++ b/scripts/Diffraction/isis_powder/routines/common.py
@@ -18,6 +18,25 @@ def create_calibration_by_names(calibration_runs, startup_objects, grouping_file
out_grouping_file_name=grouping_file_name, instrument=startup_objects)
+def crop_in_tof(ws_to_rebin, x_min=None, x_max=None):
+ if isinstance(ws_to_rebin, list):
+ cropped_ws = []
+ for ws in ws_to_rebin:
+ cropped_ws.append(_crop_single_ws_in_tof(ws, x_max=x_max, x_min=x_min))
+ else:
+ cropped_ws = _crop_single_ws_in_tof(ws_to_rebin, x_max=x_max, x_min=x_min)
+ return cropped_ws
+
+
+def _crop_single_ws_in_tof(ws_to_rebin, x_max, x_min):
+ previous_units = ws_to_rebin.getAxis(0).getUnit().unitID()
+ ws_to_rebin = mantid.ConvertUnits(InputWorkspace=ws_to_rebin, Target="TOF", OutputWorkspace=ws_to_rebin)
+ cropped_ws = mantid.CropWorkspace(InputWorkspace=ws_to_rebin, OutputWorkspace=ws_to_rebin,
+ XMin=x_min, XMax=x_max)
+ cropped_ws = mantid.ConvertUnits(InputWorkspace=cropped_ws, Target=previous_units, OutputWorkspace=cropped_ws)
+ return cropped_ws
+
+
def dictionary_key_helper(dictionary, key, throws=True, exception_msg=None):
if key in dictionary:
return dictionary[key]
@@ -32,9 +51,10 @@ def dictionary_key_helper(dictionary, key, throws=True, exception_msg=None):
return this_throws # Never gets this far just makes linters happy
-def extract_bank_spectra(ws_to_split, num_banks):
+def extract_ws_spectra(ws_to_split):
+ num_spectra = ws_to_split.getNumberHistograms()
spectra_bank_list = []
- for i in range(0, num_banks):
+ for i in range(0, num_spectra):
output_name = "bank-" + str(i + 1)
# Have to use crop workspace as extract single spectrum struggles with the variable bin widths
spectra_bank_list.append(mantid.CropWorkspace(InputWorkspace=ws_to_split, OutputWorkspace=output_name,
@@ -153,13 +173,7 @@ def _load_list_of_files(run_numbers_list, instrument):
def _sum_ws_range(ws_list):
# Sum all workspaces
out_ws_name = "summed_" + ws_list[0].name() + '_' + ws_list[-1].name()
-
- summed_ws = mantid.CloneWorkspace(InputWorkspace=ws_list[0], OutputWorkspace=out_ws_name)
-
- for ws in ws_list[1:]:
- summed_ws = mantid.Plus(LHSWorkspace=summed_ws, RHSWorkspace=ws, OutputWorkspace=out_ws_name)
-
- # summed_ws = mantid.MergeRuns(InputWorkspaces=ws_list, OutputWorkspace=out_ws_name)
+ summed_ws = mantid.MergeRuns(InputWorkspaces=ws_list, OutputWorkspace=out_ws_name)
return summed_ws
diff --git a/scripts/Diffraction/isis_powder/routines/focus.py b/scripts/Diffraction/isis_powder/routines/focus.py
index 210ee2d36a0..0a1984a96c1 100644
--- a/scripts/Diffraction/isis_powder/routines/focus.py
+++ b/scripts/Diffraction/isis_powder/routines/focus.py
@@ -30,7 +30,7 @@ def _divide_sample_by_vanadium(instrument, run_number, input_workspace, perform_
processed_spectra = []
run_details = instrument.get_run_details(run_number=run_number)
num_of_banks = instrument.get_num_of_banks(run_details.instrument_version)
- split_ws = common.extract_bank_spectra(ws_to_split=input_workspace, num_banks=num_of_banks)
+ split_ws = common.extract_ws_spectra(ws_to_split=input_workspace, num_banks=num_of_banks)
if perform_vanadium_norm:
vanadium_ws_list = mantid.LoadNexus(Filename=run_details.splined_vanadium)
--
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