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Re #19966 Added workflow diagram for ISIS Powder - Pearl Focus modes
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@DavidFair
DavidFair committed Jul 10, 2017
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182 changes: 182 additions & 0 deletions docs/source/diagrams/ISISPowderSavePearlFmodes_wkflw.dot
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digraph isisPowderCreateVanadium{
label="ISISPowder - PEARL Focus Mode saving"
$global_style

// **Labels
// PEARL Focus modes - this helps keeps the graph tidy
label_focusModeAllPearl [label="Focus mode: All"]
label_focusModeGroupsPearl [label="Focus mode: Groups"]
label_focusModeModsPearl [label="Focus mode: Mods"]
label_focusModeTransPearl [label="Focus mode: Trans"]

label_attenuateWorkspacePearl [label="Attenuate Workspace"]

// **Parameters
subgraph params {
$param_style

param_attenuatePearl_all [label="User param: attenuate"]
param_attenuatePearl_trans [label="User param: attenuate"]

param_attenuatePearlFilePath [label="User param:\n Full file path to attenuation file"]
}

// **Processes (inc. bespoke inst steps)
subgraph {
$process_style

proc_attenuatePearl_all [label="Pearl: Attenuate workspace"]
proc_attenuatePearl_trans [label="Pearl: Attenuate workspace"]
}

// **Algorithms
subgraph algorithms{
$algorithm_style

// Focus mode: All
alg_MergeRuns_all [label="Merge Runs: Banks 1-9 (inc.)"]
alg_Scale_all [label="Scale: 0.11111111 (1/9)"]

alg_SaveGss_all [label="Save GSS: TOF\n Appending banks 10-12 (inc.) to merged runs"]
alg_SaveGssSummed_all [label="Save GSS: TOF"]

alg_SaveNexusProcessedSummed_all [label="Save Nexus Processed: dSpacing"]
alg_SaveNexusProcessed_all [label="Save Nexus Processed: dSpacing\n Appending banks 10-12 (inc.) to merged runs"]

// Focus mode: GROUPS
alg_Plus_groups [label="Plus: Runs (4-6) + (7-9)"]
alg_MergeRuns_groups [label="Merge Runs: (1-3)/(4-6)/(7-9)\n All inc."]
alg_Scale_groups [label="Scale: Each workspace by 0.333333 (1/3)"]
alg_ScaleHalf_groups [label="Scale: 0.5 (1/2)"]

alg_SaveGssSummed_groups [label="Save GSS: TOF"]
alg_SaveGss_groups [label="Save GSS: TOF\n Appending banks 10-14 (inc.) to merged runs"]

alg_SaveNexusProcessedSummed_groups [label="Save Nexus Processed: dSpacing"]
alg_SaveNexusProcessed_groups [label="Save Nexus Processed: dSpacing\n Appending banks 10-14 (inc.) to merged runs"]

// Focus mode: MODS
alg_SaveGss_mods [label="Save GSS: TOF\n Appending each workspace"]
alg_SaveNexusProcessed_mods [label="Save Nexus Processed: dSpacing\n Appending each workspace"]

// Focus mode : TRANS
alg_MergeRuns_trans [label="Merge Runs: Banks 1-9 (inc.)"]
alg_Scale_trans [label="Scale: 0.11111111 (1/9)"]

alg_SaveGssSummed_trans [label="Save GSS: TOF"]

alg_SaveFocusedXyeDSummed_trans [label="Save Focused XYE: dSpacing"]
alg_SaveFocusedXyeTOFSummed_trans [label="Save Focused XYE: TOF"]

alg_SaveNexusProcessedSummed_trans [label="Save Nexus Processed: dSpacing"]
alg_SaveNexusProcessed_trans [label="Save Nexus Processed: dSpacing\n Appending banks 1-10 (inc.) to merged runs"]

// Attenuate workspace
alg_ConvertToHistogram [label="Convert To Histogram"]
alg_ConvertUnits [label="Convert Units:\n Match the loaded attenuation workspace"]
alg_ConvertUnitsOriginal [label="Convert Units:\n Back to original input units"]
alg_Divide [label="Divide: Data Ws / Attenuated Workspace"]
alg_PearlMCAbsorption [label="PearlMCAbsorption"]
alg_RebinWorkspace [label="Rebin:\n Attenuated workspace to match workspace to correct"]

}

// **Decisions
subgraph decisions{
$decision_style

if_attenuatePearl_all [label="If: attenuate"]
if_attenuatePearl_trans [label="If: attenuate"]
}

// *Focus mode - ALL
subgraph SaveFocusModeAll{
// Merge + Scale
label_focusModeAllPearl -> alg_MergeRuns_all
alg_MergeRuns_all -> alg_Scale_all

// All - Attenuate
alg_Scale_all -> if_attenuatePearl_all
param_attenuatePearl_all -> if_attenuatePearl_all
if_attenuatePearl_all -> proc_attenuatePearl_all [label="True"]

// All - continue saving summed WS
proc_attenuatePearl_all -> alg_SaveGssSummed_all
if_attenuatePearl_all -> alg_SaveGssSummed_all [label="False"]
alg_SaveGssSummed_all -> alg_SaveNexusProcessedSummed_all

// All - Save remaining workspaces (come from label)
label_focusModeAllPearl -> alg_SaveGss_all
alg_SaveGss_all -> alg_SaveNexusProcessed_all

}

// *Focus Mode - GROUPS
subgraph SaveFocusModeGroups{
// Merge individual groups of banks
label_focusModeGroupsPearl -> alg_MergeRuns_groups
alg_MergeRuns_groups -> alg_Scale_groups

// Add banks 4-9 together and scale
alg_Scale_groups -> alg_Plus_groups
alg_Plus_groups -> alg_ScaleHalf_groups

// Save all the various grouped workspaces
alg_Scale_groups -> alg_SaveGssSummed_groups
alg_ScaleHalf_groups -> alg_SaveGssSummed_groups
alg_SaveGssSummed_groups -> alg_SaveNexusProcessedSummed_groups

// Save remaining workspaces (come from label)
label_focusModeGroupsPearl -> alg_SaveGss_groups
alg_SaveGss_groups -> alg_SaveNexusProcessed_groups
}

// *Focus Mode - MODS
subgraph SaveFocusModeMods{
label_focusModeModsPearl -> alg_SaveGss_mods
alg_SaveGss_mods -> alg_SaveNexusProcessed_mods
}

// *Focus Mode - TRANS
subgraph SaveFocusModeTrans{
label_focusModeTransPearl -> alg_MergeRuns_trans
alg_MergeRuns_trans -> alg_Scale_trans

// Attenuate
alg_Scale_trans -> if_attenuatePearl_trans
param_attenuatePearl_trans -> if_attenuatePearl_trans
if_attenuatePearl_trans -> proc_attenuatePearl_trans [label="True"]

// Continue saving summed WS
if_attenuatePearl_trans -> alg_SaveGssSummed_trans [label="False"]
proc_attenuatePearl_trans -> alg_SaveGssSummed_trans

// XYE
alg_SaveGssSummed_trans -> alg_SaveFocusedXyeTOFSummed_trans
alg_SaveFocusedXyeTOFSummed_trans -> alg_SaveFocusedXyeDSummed_trans

// Nexus processed
alg_SaveFocusedXyeDSummed_trans -> alg_SaveNexusProcessedSummed_trans

// Save remaining workspaces
alg_SaveNexusProcessedSummed_trans -> alg_SaveNexusProcessed_trans
}

// Attenuate workspace step
subgraph PearlAttenuateWorkspace{
// Run attenuation algorithm
label_attenuateWorkspacePearl -> alg_PearlMCAbsorption
param_attenuatePearlFilePath -> alg_PearlMCAbsorption

// Fixup units and binning
alg_PearlMCAbsorption -> alg_ConvertToHistogram
alg_ConvertToHistogram -> alg_ConvertUnits


// Rebin and divide
alg_ConvertUnits -> alg_RebinWorkspace
alg_RebinWorkspace -> alg_Divide
alg_Divide -> alg_ConvertUnitsOriginal
}

}
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2 changes: 2 additions & 0 deletions docs/source/techniques/ISISPowder-Workflows-v1.rst
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Expand Up @@ -9,6 +9,8 @@ ISIS Powder Diffraction Scripts Workflows

.. _todo-powder-diffraction-workflow-ref:

.. diagram:: ISISPowderSavePearlFmodes_wkflw.dot

.. diagram:: ISISPowderSaveFocusedBanks_wkflw.dot

.. diagram:: ISISPowderApplyAbsorbCorr_wkflw.dot
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34 changes: 17 additions & 17 deletions scripts/Diffraction/isis_powder/pearl_routines/pearl_output.py
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Expand Up @@ -33,23 +33,6 @@ def _attenuate_workspace(instrument, output_file_paths, attenuated_ws):
return attenuated_ws


def _focus_mode_mods(output_file_paths, calibrated_spectra):
append = False
output_list = []
for index, ws in enumerate(calibrated_spectra):
output_name = output_file_paths["output_name"] + "_mod" + str(index + 1)
tof_ws = mantid.ConvertUnits(InputWorkspace=ws, OutputWorkspace=output_name,
Target=WORKSPACE_UNITS.tof)
mantid.SaveGSS(InputWorkspace=tof_ws, Filename=output_file_paths["gss_filename"], Append=append, Bank=index + 1)
dspacing_ws = mantid.ConvertUnits(InputWorkspace=ws, OutputWorkspace=output_name,
Target=WORKSPACE_UNITS.d_spacing)
output_list.append(dspacing_ws)
mantid.SaveNexus(Filename=output_file_paths["nxs_filename"], InputWorkspace=dspacing_ws, Append=append)

append = True
return output_list


def _focus_mode_all(output_file_paths, processed_spectra, perform_attenuation, instrument):
summed_spectra_name = output_file_paths["output_name"] + "_mods1-9"
summed_spectra = mantid.MergeRuns(InputWorkspaces=processed_spectra[:9], OutputWorkspace=summed_spectra_name)
Expand Down Expand Up @@ -122,6 +105,23 @@ def _focus_mode_groups(output_file_paths, calibrated_spectra):
return output_list


def _focus_mode_mods(output_file_paths, calibrated_spectra):
append = False
output_list = []
for index, ws in enumerate(calibrated_spectra):
output_name = output_file_paths["output_name"] + "_mod" + str(index + 1)
tof_ws = mantid.ConvertUnits(InputWorkspace=ws, OutputWorkspace=output_name,
Target=WORKSPACE_UNITS.tof)
mantid.SaveGSS(InputWorkspace=tof_ws, Filename=output_file_paths["gss_filename"], Append=append, Bank=index + 1)
dspacing_ws = mantid.ConvertUnits(InputWorkspace=ws, OutputWorkspace=output_name,
Target=WORKSPACE_UNITS.d_spacing)
output_list.append(dspacing_ws)
mantid.SaveNexus(Filename=output_file_paths["nxs_filename"], InputWorkspace=dspacing_ws, Append=append)

append = True
return output_list


def _focus_mode_trans(output_file_paths, atten, instrument, calibrated_spectra):
summed_ws = mantid.MergeRuns(InputWorkspaces=calibrated_spectra[:9])
summed_ws = mantid.Scale(InputWorkspace=summed_ws, Factor=0.111111111111111)
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