def test_event(self):
# check that the workflow runs with event workspaces as input, junk data
event_data = CreateSampleWorkspace(
NumBanks=1,
BinWidth=20000,
PixelSpacing=0.1,
BankPixelWidth=100,
WorkspaceType="Event",
)
event_cal = CreateSampleWorkspace(
NumBanks=1,
BinWidth=20000,
PixelSpacing=0.1,
BankPixelWidth=100,
WorkspaceType="Event",
Function="Flat background",
)
event_bkg = CreateSampleWorkspace(
NumBanks=1,
BinWidth=20000,
PixelSpacing=0.1,
BankPixelWidth=100,
WorkspaceType="Event",
Function="Flat background",
)
pd_out = WANDPowderReduction(
InputWorkspace=event_data,
CalibrationWorkspace=event_cal,
BackgroundWorkspace=event_bkg,
Target="Theta",
NumberBins=1000,
NormaliseBy="None",
)
x = pd_out.extractX()
y = pd_out.extractY()
self.assertAlmostEqual(x.min(), 0.03517355)
self.assertAlmostEqual(x.max(), 70.3119282)
self.assertAlmostEqual(y[0, 0], 0.0)
pd_out = WANDPowderReduction(
InputWorkspace=[event_data, event_data],
CalibrationWorkspace=event_cal,
BackgroundWorkspace="event_bkg,event_bkg",
Target="Theta",
NumberBins=1000,
NormaliseBy="None",
)
x = pd_out.extractX()
y = pd_out.extractY()
self.assertAlmostEqual(x.min(), 0.03517355)
self.assertAlmostEqual(x.max(), 70.3119282)
self.assertAlmostEqual(y[0, 0], 0.0)
def test(self):
data, cal, bkg = self._create_workspaces()
# data normalised by monitor
pd_out = WANDPowderReduction(InputWorkspace=data,
Target='Theta',
NumberBins=1000)
x = pd_out.extractX()
y = pd_out.extractY()
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',
NumberBins=2000,
XMin=10,
XMax=40)
x = pd_out2.extractX()
y = pd_out2.extractY()
self.assertAlmostEqual(x.min(), 10.0075)
self.assertAlmostEqual(x.max(), 39.9925)
self.assertAlmostEqual(y.min(), 1.5)
self.assertAlmostEqual(y.max(), 12.6107234)
self.assertAlmostEqual(x[0, y.argmax()], 30.0025)
# data, cal and background, normalised by time
pd_out3 = WANDPowderReduction(InputWorkspace=data,
CalibrationWorkspace=cal,
BackgroundWorkspace=bkg,
Target='Theta',
NumberBins=1000,
NormaliseBy='Time')
x = pd_out3.extractX()
y = pd_out3.extractY()
self.assertAlmostEqual(x.min(), 8.07086781)
self.assertAlmostEqual(x.max(), 50.82973519)
self.assertAlmostEqual(y.min(), 0)
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,
CalibrationWorkspace=cal,
BackgroundWorkspace=bkg,
Target='ElasticDSpacing',
EFixed=30,
NumberBins=1000)
x = pd_out4.extractX()
y = pd_out4.extractY()
self.assertAlmostEqual(x.min(), 1.92800159)
self.assertAlmostEqual(x.max(), 11.7586705)
self.assertAlmostEqual(y.min(), 0)
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,
CalibrationWorkspace=cal,
BackgroundWorkspace=bkg,
Target='ElasticQ',
EFixed=30,
NumberBins=2000,
MaskAngle=60)
x = pd_out4.extractX()
y = pd_out4.extractY()
self.assertAlmostEqual(x.min(), 0.53479223)
self.assertAlmostEqual(x.max(), 3.21684994)
self.assertAlmostEqual(y.min(), 0)
self.assertAlmostEqual(y.max(), 19.9948756)
self.assertAlmostEqual(x[0, y.argmax()], 2.9122841)
# data, cal and background, scale background
pd_out4 = WANDPowderReduction(InputWorkspace=data,
CalibrationWorkspace=cal,
BackgroundWorkspace=bkg,
BackgroundScale=0.5,
Target='Theta',
NumberBins=1000,
NormaliseBy='Time')
x = pd_out4.extractX()
y = pd_out4.extractY()
self.assertAlmostEqual(x.min(), 8.07086781)
self.assertAlmostEqual(x.max(), 50.82973519)
self.assertAlmostEqual(y.min(), 0.75)
self.assertAlmostEqual(y.max(), 20.72968357)
self.assertAlmostEqual(x[0, y.argmax()], 45.008708196)
def test(self):
data, cal, bkg = self._create_workspaces()
# data normalised by monitor
pd_out = WANDPowderReduction(InputWorkspace=data,
Target="Theta",
NumberBins=1000)
x = pd_out.extractX()
y = pd_out.extractY()
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 normalised by monitor <- duplicate input as two
# NOTE:
# still needs to check physics
pd_out_multi = WANDPowderReduction(InputWorkspace=[data, data],
Target="Theta",
NumberBins=1000)
x = pd_out_multi.extractX()
y = pd_out_multi.extractY()
self.assertAlmostEqual(x.min(), 8.07086781)
self.assertAlmostEqual(x.max(), 50.82973519)
self.assertAlmostEqual(y.min(), 0.00328244 * 2)
self.assertAlmostEqual(y.max(), 4.88908824 * 2)
self.assertAlmostEqual(x[0, y.argmax()], 45.094311535)
# data and calibration, limited range
pd_out2 = WANDPowderReduction(
InputWorkspace=data,
CalibrationWorkspace=cal,
Target="Theta",
NumberBins=2000,
XMin=10,
XMax=40,
)
x = pd_out2.extractX()
y = pd_out2.extractY()
self.assertAlmostEqual(x.min(), 10.0075)
self.assertAlmostEqual(x.max(), 39.9925)
self.assertAlmostEqual(y.min(), 1.5)
self.assertAlmostEqual(y.max(), 12.6107234)
self.assertAlmostEqual(x[0, y.argmax()], 30.0025)
# data and calibration, limited range
# NOTE:
# still needs to check physics
pd_out2_multi = WANDPowderReduction(
InputWorkspace=[data, data],
CalibrationWorkspace=cal,
Target="Theta",
NumberBins=2000,
XMin=10,
XMax=40,
)
x = pd_out2_multi.extractX()
y = pd_out2_multi.extractY()
self.assertAlmostEqual(x.min(), 10.0075)
self.assertAlmostEqual(x.max(), 39.9925)
self.assertAlmostEqual(y.min(), 1.5)
self.assertAlmostEqual(y.max(), 12.6107234)
self.assertAlmostEqual(x[0, y.argmax()], 30.0025)
# data, cal and background, normalised by time
pd_out3 = WANDPowderReduction(
InputWorkspace=data,
CalibrationWorkspace=cal,
BackgroundWorkspace=bkg,
Target="Theta",
NumberBins=1000,
NormaliseBy="Time",
)
x = pd_out3.extractX()
y = pd_out3.extractY()
self.assertAlmostEqual(x.min(), 8.07086781)
self.assertAlmostEqual(x.max(), 50.82973519)
self.assertAlmostEqual(y.min(), 0)
self.assertAlmostEqual(y.max(), 19.97968357)
self.assertAlmostEqual(x[0, y.argmax()], 45.008708196)
# data, cal and background, normalised by time
# NOTE:
# still needs to check physics
pd_out3_multi = WANDPowderReduction(
InputWorkspace=[data, data],
CalibrationWorkspace=cal,
BackgroundWorkspace="bkg,bkg",
Target="Theta",
NumberBins=1000,
NormaliseBy="Time",
)
x = pd_out3_multi.extractX()
y = pd_out3_multi.extractY()
self.assertAlmostEqual(x.min(), 8.07086781)
self.assertAlmostEqual(x.max(), 50.82973519)
self.assertAlmostEqual(y.min(), 0)
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,
CalibrationWorkspace=cal,
BackgroundWorkspace=bkg,
Target="ElasticDSpacing",
EFixed=30,
NumberBins=1000,
)
x = pd_out4.extractX()
y = pd_out4.extractY()
self.assertAlmostEqual(x.min(), 1.92800159)
self.assertAlmostEqual(x.max(), 11.7586705)
self.assertAlmostEqual(y.min(), 0)
self.assertAlmostEqual(y.max(), 19.03642005)
self.assertAlmostEqual(x[0, y.argmax()], 2.1543333)
pd_out4_multi = WANDPowderReduction(
InputWorkspace=[data, data],
CalibrationWorkspace=cal,
BackgroundWorkspace="bkg,bkg",
Target="ElasticDSpacing",
EFixed=30,
NumberBins=1000,
)
x = pd_out4_multi.extractX()
y = pd_out4_multi.extractY()
self.assertAlmostEqual(x.min(), 1.92800159)
self.assertAlmostEqual(x.max(), 11.7586705)
self.assertAlmostEqual(y.min(), 0)
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,
CalibrationWorkspace=cal,
BackgroundWorkspace=bkg,
Target="ElasticQ",
EFixed=30,
NumberBins=2000,
MaskAngle=60,
)
x = pd_out4.extractX()
y = pd_out4.extractY()
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(), 19.9948756, places=4)
self.assertAlmostEqual(x[0, y.argmax()], 2.9122841, places=4)
# NOTE:
# Need to check the physics
pd_out4_multi = WANDPowderReduction(
InputWorkspace=[data, data],
CalibrationWorkspace=cal,
BackgroundWorkspace="bkg,bkg",
Target="ElasticQ",
EFixed=30,
NumberBins=2000,
MaskAngle=60,
)
x = pd_out4_multi.extractX()
y = pd_out4_multi.extractY()
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(), 19.9948756, places=4)
self.assertAlmostEqual(x[0, y.argmax()], 2.9122841, places=4)
# data, cal and background, scale background
pd_out4 = WANDPowderReduction(
InputWorkspace=data,
CalibrationWorkspace=cal,
BackgroundWorkspace=bkg,
BackgroundScale=0.5,
Target="Theta",
NumberBins=1000,
NormaliseBy="Time",
)
x = pd_out4.extractX()
y = pd_out4.extractY()
self.assertAlmostEqual(x.min(), 8.07086781)
self.assertAlmostEqual(x.max(), 50.82973519)
self.assertAlmostEqual(y.min(), 0.75)
self.assertAlmostEqual(y.max(), 20.72968357)
self.assertAlmostEqual(x[0, y.argmax()], 45.008708196)
pd_out4_multi = WANDPowderReduction(
InputWorkspace=[data, data],
CalibrationWorkspace=cal,
BackgroundWorkspace="bkg,bkg",
BackgroundScale=0.5,
Target="Theta",
NumberBins=1000,
NormaliseBy="Time",
)
x = pd_out4_multi.extractX()
y = pd_out4_multi.extractY()
self.assertAlmostEqual(x.min(), 8.07086781)
self.assertAlmostEqual(x.max(), 50.82973519)
self.assertAlmostEqual(y.min(), 0.75)
self.assertAlmostEqual(y.max(), 20.72968357)
self.assertAlmostEqual(x[0, y.argmax()], 45.008708196)
def test(self):
data, cal, bkg = self._create_workspaces()
# data normalised by monitor
pd_out=WANDPowderReduction(InputWorkspace=data,
Target='Theta',
NumberBins=1000)
x = pd_out.extractX()
y = pd_out.extractY()
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',
NumberBins=2000,
XMin=10,
XMax=40)
x = pd_out2.extractX()
y = pd_out2.extractY()
self.assertAlmostEqual(x.min(), 10.0075)
self.assertAlmostEqual(x.max(), 39.9925)
self.assertAlmostEqual(y.min(), 1.5)
self.assertAlmostEqual(y.max(), 12.6107234)
self.assertAlmostEqual(x[0,y.argmax()], 30.0025)
# data, cal and background, normalised by time
pd_out3=WANDPowderReduction(InputWorkspace=data,
CalibrationWorkspace=cal,
BackgroundWorkspace=bkg,
Target='Theta',
NumberBins=1000,
NormaliseBy='Time')
x = pd_out3.extractX()
y = pd_out3.extractY()
self.assertAlmostEqual(x.min(), 8.07086781)
self.assertAlmostEqual(x.max(), 50.82973519)
self.assertAlmostEqual(y.min(), 0)
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,
CalibrationWorkspace=cal,
BackgroundWorkspace=bkg,
Target='ElasticDSpacing',
EFixed=30,
NumberBins=1000)
x = pd_out4.extractX()
y = pd_out4.extractY()
self.assertAlmostEqual(x.min(), 1.92800159)
self.assertAlmostEqual(x.max(), 11.7586705)
self.assertAlmostEqual(y.min(), 0)
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,
CalibrationWorkspace=cal,
BackgroundWorkspace=bkg,
Target='ElasticQ',
EFixed=30,
NumberBins=2000,
MaskAngle=60)
x = pd_out4.extractX()
y = pd_out4.extractY()
self.assertAlmostEqual(x.min(), 0.53479223)
self.assertAlmostEqual(x.max(), 3.21684994)
self.assertAlmostEqual(y.min(), 0)
self.assertAlmostEqual(y.max(), 19.9948756)
self.assertAlmostEqual(x[0,y.argmax()], 2.9122841)
def test_event(self):
# check that the workflow runs with event workspaces as input, junk data
event_data = CreateSampleWorkspace(
NumBanks=1,
BinWidth=20000,
PixelSpacing=0.1,
BankPixelWidth=100,
WorkspaceType="Event",
)
event_cal = CreateSampleWorkspace(
NumBanks=1,
BinWidth=20000,
PixelSpacing=0.1,
BankPixelWidth=100,
WorkspaceType="Event",
Function="Flat background",
)
event_bkg = CreateSampleWorkspace(
NumBanks=1,
BinWidth=20000,
PixelSpacing=0.1,
BankPixelWidth=100,
WorkspaceType="Event",
Function="Flat background",
)
# CASE 1
# input single workspace, output single workspace
pd_out = WANDPowderReduction(
InputWorkspace=event_data,
CalibrationWorkspace=event_cal,
BackgroundWorkspace=event_bkg,
Target="Theta",
NumberBins=1000,
NormaliseBy="None",
Sum=False,
)
assert isinstance(pd_out, MatrixWorkspace)
x = pd_out.extractX()
y = pd_out.extractY()
self.assertAlmostEqual(x.min(), 0.03517355)
self.assertAlmostEqual(x.max(), 70.3119282)
self.assertAlmostEqual(y[0, 0], 0.0)
# CASE 2
# input multiple single ws, output (single) summed ws
pd_out = WANDPowderReduction(
InputWorkspace=[event_data, event_data],
CalibrationWorkspace=event_cal,
BackgroundWorkspace=event_bkg,
Target="Theta",
NumberBins=1000,
NormaliseBy="None",
Sum=True,
)
x = pd_out.extractX()
y = pd_out.extractY()
self.assertAlmostEqual(x.min(), 0.03517355)
self.assertAlmostEqual(x.max(), 70.3119282)
self.assertAlmostEqual(y[0, 0], 0.0)
assert isinstance(pd_out, MatrixWorkspace)
# CASE 3
# input group ws containing several ws, output group ws containing several ws
pd_out = WANDPowderReduction(
InputWorkspace=[event_data, event_data],
CalibrationWorkspace=event_cal,
BackgroundWorkspace=event_bkg,
Target="Theta",
NumberBins=1000,
NormaliseBy="None",
Sum=False,
)
for i in pd_out:
x = i.extractX()
y = i.extractY()
self.assertAlmostEqual(x.min(), 0.03517355)
self.assertAlmostEqual(x.max(), 70.3119282)
self.assertAlmostEqual(y[0, 0], 0.0)
assert isinstance(pd_out, WorkspaceGroup)
assert len(pd_out) == 2
event_data2 = CloneWorkspace(event_data)
event_data_group = WorkspaceGroup()
event_data_group.addWorkspace(event_data)
event_data_group.addWorkspace(event_data2)
# CASE 4 - input group ws, output group ws
pd_out = WANDPowderReduction(
InputWorkspace=event_data_group,
CalibrationWorkspace=event_cal,
BackgroundWorkspace=event_bkg,
Target="Theta",
NumberBins=1000,
NormaliseBy="None",
Sum=False,
)
for i in pd_out:
x = i.extractX()
y = i.extractY()
self.assertAlmostEqual(x.min(), 0.03517355)
self.assertAlmostEqual(x.max(), 70.3119282)
self.assertAlmostEqual(y[0, 0], 0.0)
assert isinstance(pd_out, WorkspaceGroup)
assert len(pd_out) == 2
event_data2 = CloneWorkspace(event_data)
event_data_group = GroupWorkspaces([event_data, event_data2])
pd_out = WANDPowderReduction(
InputWorkspace=event_data_group,
CalibrationWorkspace=event_cal,
BackgroundWorkspace=event_bkg,
Target="Theta",
NumberBins=1000,
NormaliseBy="None",
Sum=False,
)
for i in pd_out:
x = i.extractX()
y = i.extractY()
self.assertAlmostEqual(x.min(), 0.03517355)
self.assertAlmostEqual(x.max(), 70.3119282)
self.assertAlmostEqual(y[0, 0], 0.0)
assert isinstance(pd_out, WorkspaceGroup)
assert len(pd_out) == 2