def _create_workspaces(self):
cal=CreateSampleWorkspace(NumBanks=1,BinWidth=20000,PixelSpacing=0.1,BankPixelWidth=100)
RotateInstrumentComponent(cal, ComponentName='bank1', X=1, Y=0.5, Z=2, Angle=35)
MoveInstrumentComponent(cal, ComponentName='bank1', X=1, Y=1, Z=5)
bkg=CloneWorkspace(cal)
data=CloneWorkspace(cal)
AddSampleLog(cal, LogName="gd_prtn_chrg", LogType='Number', NumberType='Double', LogText='200')
AddSampleLog(bkg, LogName="gd_prtn_chrg", LogType='Number', NumberType='Double', LogText='50')
AddSampleLog(data, LogName="gd_prtn_chrg", LogType='Number', NumberType='Double', LogText='100')
AddSampleLog(cal, LogName="duration", LogType='Number', NumberType='Double', LogText='20')
AddSampleLog(bkg, LogName="duration", LogType='Number', NumberType='Double', LogText='5')
AddSampleLog(data, LogName="duration", LogType='Number', NumberType='Double', LogText='10')
def get_cal_counts(n):
if n < 5000:
return 0.9
else:
return 1.0
def get_bkg_counts(n):
return 1.5*get_cal_counts(n)
def get_data_counts(n,twoTheta):
tt1=30
tt2=45
return get_bkg_counts(n)+10*np.exp(-(twoTheta-tt1)**2/1)+20*np.exp(-(twoTheta-tt2)**2/0.2)
for i in range(cal.getNumberHistograms()):
cal.setY(i, [get_cal_counts(i)*2.0])
bkg.setY(i, [get_bkg_counts(i)/2.0])
twoTheta=data.getInstrument().getDetector(i+10000).getTwoTheta(V3D(0,0,0),V3D(0,0,1))*180/np.pi
data.setY(i, [get_data_counts(i,twoTheta)])
return data, cal, bkg
def _create_workspaces(self):
cal=CreateSampleWorkspace(NumBanks=1,BinWidth=20000,PixelSpacing=0.1,BankPixelWidth=100)
RotateInstrumentComponent(cal, ComponentName='bank1', X=1, Y=0.5, Z=2, Angle=35)
MoveInstrumentComponent(cal, ComponentName='bank1', X=1, Y=1, Z=5)
bkg=CloneWorkspace(cal)
data=CloneWorkspace(cal)
AddSampleLog(cal, LogName="gd_prtn_chrg", LogType='Number', NumberType='Double', LogText='200')
AddSampleLog(bkg, LogName="gd_prtn_chrg", LogType='Number', NumberType='Double', LogText='50')
AddSampleLog(data, LogName="gd_prtn_chrg", LogType='Number', NumberType='Double', LogText='100')
AddSampleLog(cal, LogName="duration", LogType='Number', NumberType='Double', LogText='20')
AddSampleLog(bkg, LogName="duration", LogType='Number', NumberType='Double', LogText='5')
AddSampleLog(data, LogName="duration", LogType='Number', NumberType='Double', LogText='10')
def get_cal_counts(n):
if n < 5000:
return 0.9
else:
return 1.0
def get_bkg_counts(n):
return 1.5*get_cal_counts(n)
def get_data_counts(n,twoTheta):
tt1=30
tt2=45
return get_bkg_counts(n)+10*np.exp(-(twoTheta-tt1)**2/1)+20*np.exp(-(twoTheta-tt2)**2/0.2)
for i in range(cal.getNumberHistograms()):
cal.setY(i, [get_cal_counts(i)*2.0])
bkg.setY(i, [get_bkg_counts(i)/2.0])
twoTheta=data.getInstrument().getDetector(i+10000).getTwoTheta(V3D(0,0,0),V3D(0,0,1))*180/np.pi
data.setY(i, [get_data_counts(i,twoTheta)])
return data, cal, bkg
def createPhononWS(self, T, en, e_units):
fn = 'name=Gaussian, PeakCentre='+str(en)+', Height=1, Sigma=0.5;'
fn +='name=Gaussian, PeakCentre=-'+str(en)+', Height='+str(np.exp(-en*11.6/T))+', Sigma=0.5;'
ws = CreateSampleWorkspace(binWidth = 0.1, XMin = -25, XMax = 25, XUnit = e_units, Function = 'User Defined', UserDefinedFunction=fn)
LoadInstrument(ws, InstrumentName='MARI', RewriteSpectraMap = True)
with self.assertRaises(RuntimeError):
ws_DOS = ComputeIncoherentDOS(ws)
ws = SofQW3(ws, [0, 0.05, 8], 'Direct', 25)
qq = np.arange(0, 8, 0.05)+0.025
for i in range(ws.getNumberHistograms()):
ws.setY(i, ws.readY(i)*qq[i]**2)
ws.setE(i, ws.readE(i)*qq[i]**2)
return ws
def createPhononWS(self, T, en, e_units):
fn = 'name=Gaussian, PeakCentre='+str(en)+', Height=1, Sigma=0.5;'
fn +='name=Gaussian, PeakCentre=-'+str(en)+', Height='+str(np.exp(-en*11.6/T))+', Sigma=0.5;'
ws = CreateSampleWorkspace(binWidth = 0.1, XMin = -25, XMax = 25, XUnit = e_units, Function = 'User Defined', UserDefinedFunction=fn)
LoadInstrument(ws, InstrumentName='MARI', RewriteSpectraMap = True)
with self.assertRaises(RuntimeError):
ws_DOS = ComputeIncoherentDOS(ws)
ws = SofQW3(ws, [0, 0.05, 8], 'Direct', 25)
qq = np.arange(0, 8, 0.05)+0.025
for i in range(ws.getNumberHistograms()):
ws.setY(i, ws.readY(i)*qq[i]**2)
ws.setE(i, ws.readE(i)*qq[i]**2)
return ws
def create_workspace(self, name):
workspace = CreateSampleWorkspace(OutputWorkspace=name, NumBanks=1, BankPixelWidth=5, XMin=0.1,
XMax=3.1, BinWidth=0.1, XUnit='DeltaE')
AddSampleLog(Workspace=workspace, LogName='Ei', LogText='3.', LogType='Number')
sim_scattering_data = np.arange(0, 1.5, 0.002).reshape(30, 25).transpose()
for i in range(workspace.getNumberHistograms()):
workspace.setY(i, sim_scattering_data[i])
workspace = wrap_workspace(workspace, name)
workspace.is_PSD = False
workspace.limits['MomentumTransfer'] = [0.1, 3.1, 0.1]
workspace.limits['|Q|'] = [0.1, 3.1, 0.1]
workspace.limits['DeltaE'] = [-10, 15, 1]
workspace.e_fixed = 10
return workspace
def create_workspace(self, name):
workspace = CreateSampleWorkspace(OutputWorkspace=name,
NumBanks=1,
BankPixelWidth=5,
XMin=0.1,
XMax=3.1,
BinWidth=0.1,
XUnit='DeltaE')
AddSampleLog(Workspace=workspace,
LogName='Ei',
LogText='3.',
LogType='Number')
sim_scattering_data = np.arange(0, 1.5, 0.002).reshape(30,
25).transpose()
for i in range(workspace.getNumberHistograms()):
workspace.setY(i, sim_scattering_data[i])
workspace = wrap_workspace(workspace, name)
workspace.is_PSD = False
workspace.limits['MomentumTransfer'] = [0.1, 3.1, 0.1]
workspace.limits['|Q|'] = [0.1, 3.1, 0.1]
workspace.limits['DeltaE'] = [-10, 15, 1]
workspace.e_fixed = 10
return workspace
