From 80e85091e93fd447326b2cb5155ec9f33dbd56fe Mon Sep 17 00:00:00 2001
From: Ross Whitfield <whitfieldre@ornl.gov>
Date: Mon, 26 Nov 2018 16:34:30 -0500
Subject: [PATCH] Revert "Switch WANDPowderReduction to use Rebin"
---
.../WorkflowAlgorithms/WANDPowderReduction.py | 16 ++++--
.../WANDPowderReductionTest.py | 56 ++++++++++---------
.../algorithms/WANDPowderReduction-v1.rst | 14 ++---
docs/source/release/v3.14.0/diffraction.rst | 1 -
4 files changed, 46 insertions(+), 41 deletions(-)
diff --git a/Framework/PythonInterface/plugins/algorithms/WorkflowAlgorithms/WANDPowderReduction.py b/Framework/PythonInterface/plugins/algorithms/WorkflowAlgorithms/WANDPowderReduction.py
index 456d3c5a7fb..db29ecfb617 100644
--- a/Framework/PythonInterface/plugins/algorithms/WorkflowAlgorithms/WANDPowderReduction.py
+++ b/Framework/PythonInterface/plugins/algorithms/WorkflowAlgorithms/WANDPowderReduction.py
@@ -9,7 +9,7 @@ from mantid.api import (DataProcessorAlgorithm, AlgorithmFactory,
MatrixWorkspaceProperty, PropertyMode)
from mantid.dataobjects import MaskWorkspaceProperty
from mantid.simpleapi import (ConvertSpectrumAxis, Transpose,
- Rebin, CopyInstrumentParameters,
+ ResampleX, CopyInstrumentParameters,
Divide, DeleteWorkspace, Scale,
MaskAngle, ExtractMask, Minus,
ExtractUnmaskedSpectra, mtd,
@@ -63,7 +63,7 @@ class WANDPowderReduction(DataProcessorAlgorithm):
self.copyProperties('ConvertSpectrumAxis', ['Target', 'EFixed'])
- self.copyProperties('Rebin', ['Params'])
+ self.copyProperties('ResampleX', ['XMin', 'XMax', 'NumberBins', 'LogBinning'])
self.declareProperty('NormaliseBy', 'Monitor', StringListValidator(['None', 'Time', 'Monitor']), "Normalise to monitor or time. ")
@@ -81,7 +81,9 @@ class WANDPowderReduction(DataProcessorAlgorithm):
mask = self.getProperty("MaskWorkspace").value
target = self.getProperty("Target").value
eFixed = self.getProperty("EFixed").value
- params = self.getProperty("Params").value
+ xMin = self.getProperty("XMin").value
+ xMax = self.getProperty("XMax").value
+ numberBins = self.getProperty("NumberBins").value
normaliseBy = self.getProperty("NormaliseBy").value
maskAngle = self.getProperty("MaskAngle").value
outWS = self.getPropertyValue("OutputWorkspace")
@@ -107,14 +109,15 @@ class WANDPowderReduction(DataProcessorAlgorithm):
ExtractUnmaskedSpectra(InputWorkspace=data, MaskWorkspace='__mask_tmp', OutputWorkspace='__data_tmp', EnableLogging=False)
ConvertSpectrumAxis(InputWorkspace='__data_tmp', Target=target, EFixed=eFixed, OutputWorkspace=outWS, EnableLogging=False)
Transpose(InputWorkspace=outWS, OutputWorkspace=outWS, EnableLogging=False)
- Rebin(InputWorkspace=outWS, OutputWorkspace=outWS, Params=params, EnableLogging=False)
+ ResampleX(InputWorkspace=outWS, OutputWorkspace=outWS, XMin=xMin, XMax=xMax, NumberBins=numberBins, EnableLogging=False)
if cal is not None:
ExtractUnmaskedSpectra(InputWorkspace=cal, MaskWorkspace='__mask_tmp', OutputWorkspace='__cal_tmp', EnableLogging=False)
CopyInstrumentParameters(data, '__cal_tmp', EnableLogging=False)
ConvertSpectrumAxis(InputWorkspace='__cal_tmp', Target=target, EFixed=eFixed, OutputWorkspace='__cal_tmp', EnableLogging=False)
Transpose(InputWorkspace='__cal_tmp', OutputWorkspace='__cal_tmp', EnableLogging=False)
- Rebin(InputWorkspace='__cal_tmp', OutputWorkspace='__cal_tmp', Params=params, EnableLogging=False)
+ ResampleX(InputWorkspace='__cal_tmp', OutputWorkspace='__cal_tmp', XMin=xMin, XMax=xMax, NumberBins=numberBins,
+ EnableLogging=False)
Divide(LHSWorkspace=outWS, RHSWorkspace='__cal_tmp', OutputWorkspace=outWS, EnableLogging=False)
if normaliseBy == "Monitor":
cal_scale = cal.run().getProtonCharge()
@@ -128,7 +131,8 @@ class WANDPowderReduction(DataProcessorAlgorithm):
CopyInstrumentParameters(data, '__bkg_tmp', EnableLogging=False)
ConvertSpectrumAxis(InputWorkspace='__bkg_tmp', Target=target, EFixed=eFixed, OutputWorkspace='__bkg_tmp', EnableLogging=False)
Transpose(InputWorkspace='__bkg_tmp', OutputWorkspace='__bkg_tmp', EnableLogging=False)
- Rebin(InputWorkspace='__bkg_tmp', OutputWorkspace='__bkg_tmp', Params=params, EnableLogging=False)
+ ResampleX(InputWorkspace='__bkg_tmp', OutputWorkspace='__bkg_tmp', XMin=xMin, XMax=xMax, NumberBins=numberBins,
+ EnableLogging=False)
if cal is not None:
Divide(LHSWorkspace='__bkg_tmp', RHSWorkspace='__cal_tmp', OutputWorkspace='__bkg_tmp', EnableLogging=False)
if normaliseBy == "Monitor":
diff --git a/Framework/PythonInterface/test/python/plugins/algorithms/WorkflowAlgorithms/WANDPowderReductionTest.py b/Framework/PythonInterface/test/python/plugins/algorithms/WorkflowAlgorithms/WANDPowderReductionTest.py
index 53d83e82582..dbf44069da8 100644
--- a/Framework/PythonInterface/test/python/plugins/algorithms/WorkflowAlgorithms/WANDPowderReductionTest.py
+++ b/Framework/PythonInterface/test/python/plugins/algorithms/WorkflowAlgorithms/WANDPowderReductionTest.py
@@ -56,22 +56,24 @@ class WANDPowderReductionTest(unittest.TestCase):
# data normalised by monitor
pd_out=WANDPowderReduction(InputWorkspace=data,
Target='Theta',
- Params=0.04)
+ NumberBins=1000)
x = pd_out.extractX()
y = pd_out.extractY()
- self.assertAlmostEqual(x.min(), 8.06946698)
- self.assertAlmostEqual(x.max(), 50.83030150)
- self.assertAlmostEqual(y.min(), 0.00306758)
- self.assertAlmostEqual(y.max(), 4.37085727)
- self.assertAlmostEqual(x[0,y.argmax()], 45.10946698)
+ self.assertAlmostEqual(x.min(), 8.07086781)
+ self.assertAlmostEqual(x.max(), 50.82973519)
+ self.assertAlmostEqual(y.min(), 0.00328244)
+ self.assertAlmostEqual(y.max(), 4.88908824)
+ self.assertAlmostEqual(x[0,y.argmax()], 45.094311535)
# data and calibration, limited range
pd_out2=WANDPowderReduction(InputWorkspace=data,
CalibrationWorkspace=cal,
Target='Theta',
- Params='10,0.015,40')
+ NumberBins=2000,
+ XMin=10,
+ XMax=40)
x = pd_out2.extractX()
y = pd_out2.extractY()
@@ -87,17 +89,17 @@ class WANDPowderReductionTest(unittest.TestCase):
CalibrationWorkspace=cal,
BackgroundWorkspace=bkg,
Target='Theta',
- Params=0.04,
+ NumberBins=1000,
NormaliseBy='Time')
x = pd_out3.extractX()
y = pd_out3.extractY()
- self.assertAlmostEqual(x.min(), 8.06946698)
- self.assertAlmostEqual(x.max(), 50.83030150)
+ self.assertAlmostEqual(x.min(), 8.07086781)
+ self.assertAlmostEqual(x.max(), 50.82973519)
self.assertAlmostEqual(y.min(), 0)
- self.assertAlmostEqual(y.max(), 19.97454882)
- self.assertAlmostEqual(x[0,y.argmax()], 44.98946698)
+ self.assertAlmostEqual(y.max(), 19.97968357)
+ self.assertAlmostEqual(x[0,y.argmax()], 45.008708196)
# data, cal and background. To d spacing
pd_out4=WANDPowderReduction(InputWorkspace=data,
@@ -105,16 +107,16 @@ class WANDPowderReductionTest(unittest.TestCase):
BackgroundWorkspace=bkg,
Target='ElasticDSpacing',
EFixed=30,
- Params=0.002)
+ NumberBins=1000)
x = pd_out4.extractX()
y = pd_out4.extractY()
- self.assertAlmostEqual(x.min(), 1.92408134)
- self.assertAlmostEqual(x.max(), 11.76333605)
+ self.assertAlmostEqual(x.min(), 1.92800159)
+ self.assertAlmostEqual(x.max(), 11.7586705)
self.assertAlmostEqual(y.min(), 0)
- self.assertAlmostEqual(y.max(), 19.96633911)
- self.assertAlmostEqual(x[0,y.argmax()], 2.15808134)
+ self.assertAlmostEqual(y.max(), 19.03642005)
+ self.assertAlmostEqual(x[0,y.argmax()], 2.1543333)
# data, cal and background with mask angle, to Q.
pd_out4=WANDPowderReduction(InputWorkspace=data,
@@ -122,17 +124,17 @@ class WANDPowderReductionTest(unittest.TestCase):
BackgroundWorkspace=bkg,
Target='ElasticQ',
EFixed=30,
- Params=0.0035,
+ NumberBins=2000,
MaskAngle=60)
x = pd_out4.extractX()
y = pd_out4.extractY()
- self.assertAlmostEqual(x.min(), 0.53587138, places=4)
- self.assertAlmostEqual(x.max(), 3.21632108, places=4)
+ self.assertAlmostEqual(x.min(), 0.53479223, places=4)
+ self.assertAlmostEqual(x.max(), 3.21684994, places=4)
self.assertAlmostEqual(y.min(), 0, places=4)
- self.assertAlmostEqual(y.max(), 19.9705871, places=4)
- self.assertAlmostEqual(x[0,y.argmax()], 2.91237138, places=4)
+ self.assertAlmostEqual(y.max(), 19.9948756, places=4)
+ self.assertAlmostEqual(x[0,y.argmax()], 2.9122841, places=4)
# data, cal and background, scale background
pd_out4=WANDPowderReduction(InputWorkspace=data,
@@ -140,17 +142,17 @@ class WANDPowderReductionTest(unittest.TestCase):
BackgroundWorkspace=bkg,
BackgroundScale=0.5,
Target='Theta',
- Params=0.04,
+ NumberBins=1000,
NormaliseBy='Time')
x = pd_out4.extractX()
y = pd_out4.extractY()
- self.assertAlmostEqual(x.min(), 8.06946698)
- self.assertAlmostEqual(x.max(), 50.83030150)
+ self.assertAlmostEqual(x.min(), 8.07086781)
+ self.assertAlmostEqual(x.max(), 50.82973519)
self.assertAlmostEqual(y.min(), 0.75)
- self.assertAlmostEqual(y.max(), 20.72454882)
- self.assertAlmostEqual(x[0,y.argmax()], 44.98946698)
+ self.assertAlmostEqual(y.max(), 20.72968357)
+ self.assertAlmostEqual(x[0,y.argmax()], 45.008708196)
if __name__ == '__main__':
diff --git a/docs/source/algorithms/WANDPowderReduction-v1.rst b/docs/source/algorithms/WANDPowderReduction-v1.rst
index 65e27710f9e..d9f21db5087 100644
--- a/docs/source/algorithms/WANDPowderReduction-v1.rst
+++ b/docs/source/algorithms/WANDPowderReduction-v1.rst
@@ -24,8 +24,6 @@ algorithm will work on data loaded with :ref:`LoadEventNexus
<algm-FilterEvents>` but you will need to specify `EFixed` if
converting to anything except `Theta`.
-:ref:`Rebin <algm-Rebin>` is used to bin the data so see it's
-documentation for use of the `Params` parameter.
MaskAngle
#########
@@ -51,7 +49,7 @@ Usage
WANDPowderReduction(InputWorkspace=silicon,
CalibrationWorkspace=vanadium,
Target='Theta',
- Params=0.1,
+ NumberBins=1000,
OutputWorkspace='silicon_powder')
.. figure:: /images/WANDPowderReduction_silicon_powder.png
@@ -66,7 +64,9 @@ Usage
WANDPowderReduction(InputWorkspace=silicon,
CalibrationWorkspace=vanadium,
Target='ElasticQ',
- Params='4.5,0.0035,6.25',
+ XMin=4.5,
+ Xmax=6.25,
+ NumberBins=500,
OutputWorkspace='silicon_powder_q')
.. figure:: /images/WANDPowderReduction_silicon_powder_q.png
@@ -81,7 +81,7 @@ Usage
WANDPowderReduction(InputWorkspace=silicon2,
CalibrationWorkspace=vanadium,
Target='ElasticDSpacing',
- Params=0.002,
+ NumberBins=1000,
OutputWorkspace='silicon_powder_d_spacing')
.. figure:: /images/WANDPowderReduction_silicon_powder_d.png
@@ -103,7 +103,7 @@ Usage
CalibrationWorkspace=vanadium,
BackgroundWorkspace=bkg,
Target='Theta',
- Params=0.1,
+ NumberBins=1000,
OutputWorkspace='silicon_powder_background')
# Scale background by 50%
@@ -112,7 +112,7 @@ Usage
BackgroundWorkspace=bkg,
BackgroundScale=0.5,
Target='Theta',
- Params=0.1,
+ NumberBins=1000,
OutputWorkspace='silicon_powder_background_0.5')
.. figure:: /images/WANDPowderReduction_silicon_powder_bkg.png
diff --git a/docs/source/release/v3.14.0/diffraction.rst b/docs/source/release/v3.14.0/diffraction.rst
index eb6057c877b..415099dd7ea 100644
--- a/docs/source/release/v3.14.0/diffraction.rst
+++ b/docs/source/release/v3.14.0/diffraction.rst
@@ -22,7 +22,6 @@ Improvements
- :ref:`AlignAndFocusPowder <algm-AlignAndFocusPowder>` and :ref:`AlignAndFocusPowderFromFiles <algm-AlignAndFocusPowderFromFiles>` now support outputting the unfocussed data and weighted events (with time). This allows for event filtering **after** processing the data.
- :ref:`LoadWAND <algm-LoadWAND>` has grouping option added and loads faster
- Mask workspace option added to :ref:`WANDPowderReduction <algm-WANDPowderReduction>`
-- :ref:`WANDPowderReduction <algm-WANDPowderReduction>` has been change from using ResampleX to Rebin so that bin size can be specified instead of number of bins as requested by the instrument scientist.
- :ref:`Le Bail concept page <Le Bail Fit>` moved from mediawiki
- Rework of :ref:`powder diffraction calibration <Powder Diffraction Calibration>` documentation
--
GitLab