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Commit 7a370c94 authored by Harriet Brown's avatar Harriet Brown
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undo running vanadium and corrections withiout focussing

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scripts/Diffraction/isis_powder/polaris.py
+ 3
− 2
View file @ 7a370c94
...@@ -57,8 +57,9 @@ class Polaris(AbstractInst): ...@@ -57,8 +57,9 @@ class Polaris(AbstractInst):
pdf_output = polaris_algs.generate_ts_pdf(run_number=self._inst_settings.run_number, pdf_output = polaris_algs.generate_ts_pdf(run_number=self._inst_settings.run_number,
focus_file_path=focus_file_path, focus_file_path=focus_file_path,
merge_banks=self._inst_settings.merge_banks, merge_banks=self._inst_settings.merge_banks,
q_lims=self._inst_settings.q_lims, # q_lims=self._inst_settings.q_lims,
grouping_file_path=run_details.grouping_file_path) # grouping_file_path=run_details.grouping_file_path
)
return pdf_output return pdf_output
def set_sample_details(self, **kwargs): def set_sample_details(self, **kwargs):
......
scripts/Diffraction/isis_powder/polaris_routines/polaris_algs.py
+ 14
− 15
View file @ 7a370c94
...@@ -63,24 +63,25 @@ def get_run_details(run_number_string, inst_settings, is_vanadium_run): ...@@ -63,24 +63,25 @@ def get_run_details(run_number_string, inst_settings, is_vanadium_run):
def save_unsplined_vanadium(vanadium_ws, output_path): def save_unsplined_vanadium(vanadium_ws, output_path):
converted_workspaces = [] 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()): if previous_units != WORKSPACE_UNITS.tof:
ws = vanadium_ws.getItem(ws_index) ws = mantid.ConvertUnits(InputWorkspace=ws, Target=WORKSPACE_UNITS.tof)
previous_units = ws.getAxis(0).getUnit().unitID()
if previous_units != WORKSPACE_UNITS.tof: ws = mantid.RenameWorkspace(InputWorkspace=ws, OutputWorkspace="van_bank_{}".format(ws_index + 1))
ws = mantid.ConvertUnits(InputWorkspace=ws, Target=WORKSPACE_UNITS.tof) converted_workspaces.append(ws)
ws = mantid.RenameWorkspace(InputWorkspace=ws, OutputWorkspace="van_bank_{}".format(ws_index + 1)) converted_group = mantid.GroupWorkspaces(",".join(ws.name() for ws in converted_workspaces))
converted_workspaces.append(ws) 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)) else:
mantid.SaveNexus(InputWorkspace=converted_group, Filename=output_path, Append=False) mantid.SaveNexus(InputWorkspace=vanadium_ws, Filename=output_path, Append=False)
mantid.DeleteWorkspace(converted_group)
def generate_ts_pdf(run_number, focus_file_path, merge_banks=False, instrument=None, q_lims=None, def generate_ts_pdf(run_number, focus_file_path, merge_banks=False, q_lims=None):
grouping_file_path=None):
focused_ws = _obtain_focused_run(run_number, focus_file_path) focused_ws = _obtain_focused_run(run_number, focus_file_path)
pdf_output = mantid.ConvertUnits(InputWorkspace=focused_ws.name(), Target="MomentumTransfer") 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 ...@@ -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) placzek_self_scattering = mantid.CalculatePlaczekSelfScattering(InputWorkspace=pdf_output)
pdf_output = mantid.Subtract(LHSWorkspace=pdf_output, RHSWorkspace=placzek_self_scattering) 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) pdf_output = mantid.MatchSpectra(InputWorkspace=pdf_output, ReferenceSpectrum=1)
if type(q_lims) == str: if type(q_lims) == str:
q_min = [] q_min = []
......
scripts/Diffraction/isis_powder/routines/calibrate.py
+ 15
− 20
View file @ 7a370c94
...@@ -47,33 +47,28 @@ def create_van(instrument, run_details, absorb): ...@@ -47,33 +47,28 @@ def create_van(instrument, run_details, absorb):
CalibrationFile=run_details.offset_file_path) CalibrationFile=run_details.offset_file_path)
solid_angle = instrument.get_solid_angle_corrections(run_details.run_number, run_details) solid_angle = instrument.get_solid_angle_corrections(run_details.run_number, run_details)
if solid_angle: 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) mantid.DeleteWorkspace(solid_angle)
focused_vanadium = mantid.DiffractionFocussing(InputWorkspace=aligned_ws,
GroupingFileName=run_details.grouping_file_path)
if instrument._inst_settings.mode != 'PDF': focused_spectra = common.extract_ws_spectra(focused_vanadium)
focused_vanadium = mantid.DiffractionFocussing(InputWorkspace=aligned_ws, focused_spectra = instrument._crop_van_to_expected_tof_range(focused_spectra)
GroupingFileName=run_details.grouping_file_path)
focused_spectra = common.extract_ws_spectra(focused_vanadium) d_spacing_group, tof_group = instrument._output_focused_ws(processed_spectra=focused_spectra,
focused_spectra = instrument._crop_van_to_expected_tof_range(focused_spectra) run_details=run_details)
d_spacing_group, tof_group = instrument._output_focused_ws(processed_spectra=focused_spectra, _create_vanadium_splines(focused_spectra, instrument, run_details)
run_details=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, common.remove_intermediate_workspace(corrected_van_ws)
unit_to_keep=instrument._get_unit_to_keep()) 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) return d_spacing_group
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
def _create_vanadium_splines(focused_spectra, instrument, run_details): def _create_vanadium_splines(focused_spectra, instrument, run_details):
......
scripts/Diffraction/isis_powder/routines/focus.py
+ 22
− 30
View file @ 7a370c94
...@@ -65,43 +65,35 @@ def _focus_one_ws(input_workspace, run_number, instrument, perform_vanadium_norm ...@@ -65,43 +65,35 @@ def _focus_one_ws(input_workspace, run_number, instrument, perform_vanadium_norm
mantid.DeleteWorkspace(solid_angle) mantid.DeleteWorkspace(solid_angle)
# Focus the spectra into banks # Focus the spectra into banks
if instrument._inst_settings.mode != 'PDF': focused_ws = mantid.DiffractionFocussing(InputWorkspace=aligned_ws,
focused_ws = mantid.DiffractionFocussing(InputWorkspace=aligned_ws, GroupingFileName=run_details.grouping_file_path)
GroupingFileName=run_details.grouping_file_path)
calibrated_spectra = _apply_vanadium_corrections(instrument=instrument, calibrated_spectra = _apply_vanadium_corrections(instrument=instrument,
input_workspace=focused_ws, input_workspace=focused_ws,
perform_vanadium_norm=perform_vanadium_norm, perform_vanadium_norm=perform_vanadium_norm,
vanadium_splines=vanadium_path) 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() bin_widths = instrument._get_instrument_bin_widths()
if bin_widths: if bin_widths:
# Reduce the bin width if required on this instrument # Reduce the bin width if required on this instrument
output_spectra = common.rebin_workspace_list(workspace_list=output_spectra, output_spectra = common.rebin_workspace_list(workspace_list=output_spectra,
bin_width_list=bin_widths) bin_width_list=bin_widths)
# Output # Output
d_spacing_group, tof_group = instrument._output_focused_ws(output_spectra, run_details=run_details) 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, common.keep_single_ws_unit(d_spacing_group=d_spacing_group, tof_group=tof_group,
unit_to_keep=instrument._get_unit_to_keep()) unit_to_keep=instrument._get_unit_to_keep())
# Tidy workspaces from Mantid # Tidy workspaces from Mantid
common.remove_intermediate_workspace(input_workspace) common.remove_intermediate_workspace(input_workspace)
common.remove_intermediate_workspace(aligned_ws) common.remove_intermediate_workspace(aligned_ws)
common.remove_intermediate_workspace(focused_ws) common.remove_intermediate_workspace(focused_ws)
common.remove_intermediate_workspace(output_spectra) common.remove_intermediate_workspace(output_spectra)
return d_spacing_group 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
def _apply_vanadium_corrections(instrument, input_workspace, perform_vanadium_norm, vanadium_splines): def _apply_vanadium_corrections(instrument, input_workspace, perform_vanadium_norm, vanadium_splines):
......
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