From 7a370c9499060adb69475ef4329ba2a991ae2efc Mon Sep 17 00:00:00 2001
From: Harriet Brown <harriet.brown@stfc.ac.uk>
Date: Wed, 2 Oct 2019 14:15:15 +0100
Subject: [PATCH] undo running vanadium and corrections withiout focussing
---
scripts/Diffraction/isis_powder/polaris.py | 5 +-
.../polaris_routines/polaris_algs.py | 29 +++++------
.../isis_powder/routines/calibrate.py | 35 ++++++-------
.../Diffraction/isis_powder/routines/focus.py | 52 ++++++++-----------
4 files changed, 54 insertions(+), 67 deletions(-)
diff --git a/scripts/Diffraction/isis_powder/polaris.py b/scripts/Diffraction/isis_powder/polaris.py
index 2196abb39ba..cb078aaf55a 100644
--- a/scripts/Diffraction/isis_powder/polaris.py
+++ b/scripts/Diffraction/isis_powder/polaris.py
@@ -57,8 +57,9 @@ class Polaris(AbstractInst):
pdf_output = polaris_algs.generate_ts_pdf(run_number=self._inst_settings.run_number,
focus_file_path=focus_file_path,
merge_banks=self._inst_settings.merge_banks,
- q_lims=self._inst_settings.q_lims,
- grouping_file_path=run_details.grouping_file_path)
+ # q_lims=self._inst_settings.q_lims,
+ # grouping_file_path=run_details.grouping_file_path
+ )
return pdf_output
def set_sample_details(self, **kwargs):
diff --git a/scripts/Diffraction/isis_powder/polaris_routines/polaris_algs.py b/scripts/Diffraction/isis_powder/polaris_routines/polaris_algs.py
index b1a1fa5047b..fd6e6062a4f 100644
--- a/scripts/Diffraction/isis_powder/polaris_routines/polaris_algs.py
+++ b/scripts/Diffraction/isis_powder/polaris_routines/polaris_algs.py
@@ -63,24 +63,25 @@ def get_run_details(run_number_string, inst_settings, is_vanadium_run):
def save_unsplined_vanadium(vanadium_ws, output_path):
converted_workspaces = []
+ if vanadium_ws.id() != "Workspace2D":
+ for ws_index in range(vanadium_ws.getNumberOfEntries()):
+ ws = vanadium_ws.getItem(ws_index)
+ previous_units = ws.getAxis(0).getUnit().unitID()
- 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)
- 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)
- ws = mantid.RenameWorkspace(InputWorkspace=ws, OutputWorkspace="van_bank_{}".format(ws_index + 1))
- converted_workspaces.append(ws)
-
- converted_group = mantid.GroupWorkspaces(",".join(ws.name() for ws in converted_workspaces))
- mantid.SaveNexus(InputWorkspace=converted_group, Filename=output_path, Append=False)
- mantid.DeleteWorkspace(converted_group)
+ converted_group = mantid.GroupWorkspaces(",".join(ws.name() for ws in converted_workspaces))
+ mantid.SaveNexus(InputWorkspace=converted_group, Filename=output_path, Append=False)
+ mantid.DeleteWorkspace(converted_group)
+ else:
+ mantid.SaveNexus(InputWorkspace=vanadium_ws, Filename=output_path, Append=False)
-def generate_ts_pdf(run_number, focus_file_path, merge_banks=False, instrument=None, q_lims=None,
- grouping_file_path=None):
+def generate_ts_pdf(run_number, focus_file_path, merge_banks=False, q_lims=None):
focused_ws = _obtain_focused_run(run_number, focus_file_path)
pdf_output = mantid.ConvertUnits(InputWorkspace=focused_ws.name(), Target="MomentumTransfer")
@@ -88,8 +89,6 @@ def generate_ts_pdf(run_number, focus_file_path, merge_banks=False, instrument=N
placzek_self_scattering = mantid.CalculatePlaczekSelfScattering(InputWorkspace=pdf_output)
pdf_output = mantid.Subtract(LHSWorkspace=pdf_output, RHSWorkspace=placzek_self_scattering)
- pdf_output = mantid.DiffractionFocussing(InputWorkspace=pdf_output,
- GroupingFileName=grouping_file_path)
pdf_output = mantid.MatchSpectra(InputWorkspace=pdf_output, ReferenceSpectrum=1)
if type(q_lims) == str:
q_min = []
diff --git a/scripts/Diffraction/isis_powder/routines/calibrate.py b/scripts/Diffraction/isis_powder/routines/calibrate.py
index a5a238c9c0a..8e211edf8fa 100644
--- a/scripts/Diffraction/isis_powder/routines/calibrate.py
+++ b/scripts/Diffraction/isis_powder/routines/calibrate.py
@@ -47,33 +47,28 @@ def create_van(instrument, run_details, absorb):
CalibrationFile=run_details.offset_file_path)
solid_angle = instrument.get_solid_angle_corrections(run_details.run_number, run_details)
if solid_angle:
- aligned_ws = mantid.Divide(LHSWorkspace=aligned_ws, RHSWorkspace=solid_angle)
+ aligned_ws = mantid.Divide(LHSWorkspace=aligned_ws,RHSWorkspace=solid_angle)
mantid.DeleteWorkspace(solid_angle)
+ focused_vanadium = mantid.DiffractionFocussing(InputWorkspace=aligned_ws,
+ GroupingFileName=run_details.grouping_file_path)
- if instrument._inst_settings.mode != 'PDF':
- focused_vanadium = mantid.DiffractionFocussing(InputWorkspace=aligned_ws,
- GroupingFileName=run_details.grouping_file_path)
+ focused_spectra = common.extract_ws_spectra(focused_vanadium)
+ focused_spectra = instrument._crop_van_to_expected_tof_range(focused_spectra)
- focused_spectra = common.extract_ws_spectra(focused_vanadium)
- focused_spectra = instrument._crop_van_to_expected_tof_range(focused_spectra)
+ d_spacing_group, tof_group = instrument._output_focused_ws(processed_spectra=focused_spectra,
+ run_details=run_details)
- d_spacing_group, tof_group = instrument._output_focused_ws(processed_spectra=focused_spectra,
- run_details=run_details)
+ _create_vanadium_splines(focused_spectra, instrument, run_details)
- _create_vanadium_splines(focused_spectra, instrument, run_details)
+ common.keep_single_ws_unit(d_spacing_group=d_spacing_group, tof_group=tof_group,
+ unit_to_keep=instrument._get_unit_to_keep())
- common.keep_single_ws_unit(d_spacing_group=d_spacing_group, tof_group=tof_group,
- unit_to_keep=instrument._get_unit_to_keep())
+ common.remove_intermediate_workspace(corrected_van_ws)
+ common.remove_intermediate_workspace(aligned_ws)
+ common.remove_intermediate_workspace(focused_vanadium)
+ common.remove_intermediate_workspace(focused_spectra)
- common.remove_intermediate_workspace(corrected_van_ws)
- common.remove_intermediate_workspace(aligned_ws)
- common.remove_intermediate_workspace(focused_vanadium)
- common.remove_intermediate_workspace(focused_spectra)
-
- return d_spacing_group
- else:
- common.remove_intermediate_workspace(corrected_van_ws)
- return aligned_ws
+ return d_spacing_group
def _create_vanadium_splines(focused_spectra, instrument, run_details):
diff --git a/scripts/Diffraction/isis_powder/routines/focus.py b/scripts/Diffraction/isis_powder/routines/focus.py
index ab10416d755..8f59f279656 100644
--- a/scripts/Diffraction/isis_powder/routines/focus.py
+++ b/scripts/Diffraction/isis_powder/routines/focus.py
@@ -65,43 +65,35 @@ def _focus_one_ws(input_workspace, run_number, instrument, perform_vanadium_norm
mantid.DeleteWorkspace(solid_angle)
# Focus the spectra into banks
- if instrument._inst_settings.mode != 'PDF':
- focused_ws = mantid.DiffractionFocussing(InputWorkspace=aligned_ws,
- GroupingFileName=run_details.grouping_file_path)
+ focused_ws = mantid.DiffractionFocussing(InputWorkspace=aligned_ws,
+ GroupingFileName=run_details.grouping_file_path)
- calibrated_spectra = _apply_vanadium_corrections(instrument=instrument,
- input_workspace=focused_ws,
- perform_vanadium_norm=perform_vanadium_norm,
- vanadium_splines=vanadium_path)
+ calibrated_spectra = _apply_vanadium_corrections(instrument=instrument,
+ input_workspace=focused_ws,
+ perform_vanadium_norm=perform_vanadium_norm,
+ vanadium_splines=vanadium_path)
- output_spectra = instrument._crop_banks_to_user_tof(calibrated_spectra)
+ output_spectra = instrument._crop_banks_to_user_tof(calibrated_spectra)
- bin_widths = instrument._get_instrument_bin_widths()
- if bin_widths:
- # Reduce the bin width if required on this instrument
- output_spectra = common.rebin_workspace_list(workspace_list=output_spectra,
- bin_width_list=bin_widths)
+ bin_widths = instrument._get_instrument_bin_widths()
+ if bin_widths:
+ # Reduce the bin width if required on this instrument
+ output_spectra = common.rebin_workspace_list(workspace_list=output_spectra,
+ bin_width_list=bin_widths)
- # Output
- d_spacing_group, tof_group = instrument._output_focused_ws(output_spectra, run_details=run_details)
+ # Output
+ d_spacing_group, tof_group = instrument._output_focused_ws(output_spectra, run_details=run_details)
- common.keep_single_ws_unit(d_spacing_group=d_spacing_group, tof_group=tof_group,
- unit_to_keep=instrument._get_unit_to_keep())
+ common.keep_single_ws_unit(d_spacing_group=d_spacing_group, tof_group=tof_group,
+ unit_to_keep=instrument._get_unit_to_keep())
- # Tidy workspaces from Mantid
- common.remove_intermediate_workspace(input_workspace)
- common.remove_intermediate_workspace(aligned_ws)
- common.remove_intermediate_workspace(focused_ws)
- common.remove_intermediate_workspace(output_spectra)
+ # Tidy workspaces from Mantid
+ common.remove_intermediate_workspace(input_workspace)
+ common.remove_intermediate_workspace(aligned_ws)
+ common.remove_intermediate_workspace(focused_ws)
+ common.remove_intermediate_workspace(output_spectra)
- return d_spacing_group
- else:
- calibrated_spectra = _apply_vanadium_corrections(instrument=instrument,
- input_workspace=aligned_ws,
- perform_vanadium_norm=perform_vanadium_norm,
- vanadium_splines=vanadium_path)
- common.remove_intermediate_workspace(input_workspace)
- return calibrated_spectra
+ return d_spacing_group
def _apply_vanadium_corrections(instrument, input_workspace, perform_vanadium_norm, vanadium_splines):
--
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