def create_vana(EXPR_FILE, NoAbs=False, write_existingv=True):
# ==== Vana loading
(dum, uampstotal) = cry_sample.get_data_sum(EXPR_FILE.VanFile, "Vanadium", EXPR_FILE)
# Subtract the empty instrument ===
(dum, uampstotal) = cry_sample.get_data_sum(EXPR_FILE.VEmptyFile, "Empty", EXPR_FILE)
if uampstotal > 1e-6:
print " => Substract the Empty to the Vana"
Minus(LHSWorkspace="Vanadium", RHSWorkspace="Empty", OutputWorkspace="Vanadium_align")
mtd.remove("Empty")
cry_load.align_fnc("Vanadium_align", EXPR_FILE)
Divide(LHSWorkspace="Vanadium_align", RHSWorkspace="Corr", OutputWorkspace="Vanadium_corr")
if not NoAbs:
print " => Van Absortption correction"
cry_utils.correct_abs(InputWkspc="Vanadium_corr", outputWkspc="Transmission",
TheCylinderSampleHeight=EXPR_FILE.VHeight,
TheCylinderSampleRadius=EXPR_FILE.VRadius,
TheAttenuationXSection=EXPR_FILE.VAttenuationXSection,
TheScatteringXSection=EXPR_FILE.VScatteringXSection,
TheSampleNumberDensity=EXPR_FILE.VanaNumberDensity,
TheNumberOfSlices=EXPR_FILE.VNumberOfSlices,
TheNumberOfAnnuli=EXPR_FILE.VNumberOfAnnuli,
TheNumberOfWavelengthPoints=EXPR_FILE.VNumberOfWavelengthPoints,
TheExpMethod=EXPR_FILE.VExpMethod)
# --- Alternative way.
# ConvertUnits(InputWorkspace="Vanadium", OutputWorkspace="Vanadium", Target="Wavelength")
# CylinderAbsorption(InputWorkspace="Vanadium", OutputWorkspace="Vanadium",
# CylinderSampleHeight= EXPR_FILE.VHeight,
# CylinderSampleRadius= EXPR_FILE.VRadius,
# AttenuationXSection= EXPR_FILE.VAttenuationXSection,
# ScatteringXSection= EXPR_FILE.VScatteringXSection,
# SampleNumberDensity= EXPR_FILE.VanaNumberDensity,
# NumberOfSlices = EXPR_FILE.VNumberOfSlices,
# NumberOfAnnuli= EXPR_FILE.VNumberOfAnnuli,
# NumberOfWavelengthPoints = EXPR_FILE.VNumberOfWavelengthPoints,
# ExpMethod= EXPR_FILE.VExpMethod )
# ConvertUnits(InputWorkspace="Vanadium", OutputWorkspace="Vanadium", Target="dSpacing")
# (dum,uampstotal)=CRY_sample.get_data_sum(EXPR_FILE.VanFile,"Vanadium2",EXPR_FILE)
# Divide("Vanadium2", "Vanadium", "Vanadium")
##ConvertUnits(InputWorkspace=InputWkspc, OutputWorkspace=InputWkspc, Target="dSpacing")
# mtd.remove("Vanadium2")
##
print " => Focus type : " + EXPR_FILE.VGrpfocus
if EXPR_FILE.VGrpfocus == "sam":
GrpFile = EXPR_FILE.Path2DatGrpFile
else:
GrpFile = EXPR_FILE.Path2VanGrpFile
print " => Van Focused with the Cal file :" + GrpFile
DiffractionFocussing(InputWorkspace="Vanadium_corr", OutputWorkspace="Vanadium_foc", GroupingFileName=GrpFile,
PreserveEvents=False)
print " => VANADIUM FOCUSED"
ReplaceSpecialValues(InputWorkspace="Vanadium_foc", OutputWorkspace="Vanadium", NaNValue="0", InfinityValue="0",
BigNumberThreshold="99999999.99999999")
SaveNexusProcessed(Filename=EXPR_FILE.CorrVanFile + "_unstripped.nxs", InputWorkspace="Vanadium")
SaveFocusedXYE(Filename=EXPR_FILE.CorrVanFile + "_unstripped.dat", InputWorkspace="Vanadium", SplitFiles=True)
strip_the_vana(EXPR_FILE)
if EXPR_FILE.ExistV == 'no' and EXPR_FILE.VGrpfocus == 'van' and write_existingv:
EXPR_FILE.write_prefline("ExistingV", "yes")
EXPR_FILE.ExistV = "yes"
if not EXPR_FILE.debugMode:
mtd.remove("Vanadium_foc")
mtd.remove("Transmission")
mtd.remove("Vanadium_corr")
mtd.remove("Vanadium_align")
return False
def focus_one(EXPR_FILE, sampleAdd, scale, Norm, isfirst=False, NoAbs=False):
(outname, uampstotal) = cry_sample.get_data_sum(sampleAdd, "sample", EXPR_FILE)
if uampstotal < 1e-6:
return "No usable data, Raw files probably not found: cannot create " + outname + "\n"
newCalFile = join(EXPR_FILE.user, EXPR_FILE.GrpFile) # where user and GrpFile is appended
Integration(InputWorkspace="sample", OutputWorkspace="sampleSum")
MaskDetectorsIf(InputWorkspace="sampleSum", InputCalFile=EXPR_FILE.Path2GrpFile, OutputCalFile=newCalFile,
Mode="DeselectIf", Operator="Equal", Value=10)
mtd.remove("sampleSum")
EXPR_FILE.Path2DatGrpFile = newCalFile
# isfirst always true when called from FocusAll
if EXPR_FILE.VGrpfocus == "sam" and isfirst:
cry_vana.create_vana(EXPR_FILE, NoAbs)
if EXPR_FILE.SEmptyFile[0] != "none":
# === Optionally loads Sample Empty ===
# (dum1, uamps) = CRY_sample.get_data_sum(EXPR_FILE.SEmptyFile, "Sempty", EXPR_FILE)
Minus(LHSWorkspace="sample", RHSWorkspace="Sempty", OutputWorkspace="sample")
mtd.remove("Sempty")
cry_load.align_fnc("sample", EXPR_FILE)
Divide(LHSWorkspace="sample", RHSWorkspace="Corr", OutputWorkspace="sample")
cry_load.scale_wspc("sample", scale)
if EXPR_FILE.CorrectSampleAbs == "yes":
if EXPR_FILE.SampleAbsCorrected == False:
cry_utils.correct_abs(InputWkspc="sample", outputWkspc="SampleTrans", \
TheCylinderSampleHeight=EXPR_FILE.SampleHeight, \
TheCylinderSampleRadius=EXPR_FILE.SampleRadius, \
TheAttenuationXSection=EXPR_FILE.SampleAttenuationXSection, \
TheScatteringXSection=EXPR_FILE.SampleScatteringXSection, \
TheSampleNumberDensity=EXPR_FILE.SampleNumberDensity, \
TheNumberOfSlices=EXPR_FILE.SampleNumberOfSlices, \
TheNumberOfAnnuli=EXPR_FILE.SampleNumberOfAnnuli, \
TheNumberOfWavelengthPoints=EXPR_FILE.SampleNumberOfWavelengthPoints, \
TheExpMethod=EXPR_FILE.SampleExpMethod)
EXPR_FILE.SampleAbsCorrected = True
else:
ConvertUnits(InputWorkspace="sample", OutputWorkspace="sample", Target="Wavelength")
Divide(LHSWorkspace="sample", RHSWorkspace="SampleTrans", OutputWorkspace="sample")
ConvertUnits(InputWorkspace="sample", OutputWorkspace="sample", Target="dSpacing")
DiffractionFocussing(InputWorkspace="sample", OutputWorkspace="sample",
GroupingFileName=EXPR_FILE.Path2DatGrpFile,
PreserveEvents=False)
divide_samp_vana(EXPR_FILE, Norm)
# === Cleans results in D and TOF before outputing bank by bank ===
cry_load.bin_bank("ResultD", EXPR_FILE.bankList, EXPR_FILE.Drange)
for i in EXPR_FILE.bankList:
ConvertUnits(InputWorkspace="ResultD-" + str(i), OutputWorkspace="ResultTOF-" + str(i), Target="TOF")
ReplaceSpecialValues(InputWorkspace="ResultD-" + str(i), OutputWorkspace="ResultD-" + str(i), NaNValue="0",
InfinityValue="0", BigNumberThreshold="99999999.99999999")
ReplaceSpecialValues(InputWorkspace="ResultTOF-" + str(i), OutputWorkspace="ResultTOF-" + str(i), NaNValue="0",
InfinityValue="0", BigNumberThreshold="99999999.99999999")
# === Output===
# GSS
GrpList = "ResultTOF-" + str(EXPR_FILE.bankList[0])
if len(EXPR_FILE.bankList[1:]) > 1:
for i in EXPR_FILE.bankList[1:]:
GrpList = GrpList + ",ResultTOF-" + str(i)
GroupWorkspaces(OutputWorkspace="ResultTOFgrp", InputWorkspaces=GrpList)
if EXPR_FILE.OutSuf == "":
OutputFile = join(EXPR_FILE.user, outname)
else:
OutputFile = join(EXPR_FILE.user, outname + "_" + EXPR_FILE.OutSuf)
# Gss
rearrang4gss(OutputFile, EXPR_FILE)
# Nexus
rearrange_4nex(OutputFile, EXPR_FILE)
# XYE
OutputFile = OutputFile + "_"
rearrange_4xye(OutputFile, EXPR_FILE, units="TOF")
rearrange_4xye(OutputFile, EXPR_FILE, units="D")
return outname + " focused with uampstotal=" + str(uampstotal)
def focus_one(EXPR_FILE, sampleAdd, scale, Norm, isfirst=False, NoAbs=False):
(outname, uampstotal) = cry_sample.get_data_sum(sampleAdd, "sample", EXPR_FILE)
if uampstotal < 1e-6:
return "No usable data, Raw files probably not found: cannot create " + outname + "\n"
newCalFile = join(EXPR_FILE.user, EXPR_FILE.GrpFile) # where user and GrpFile is appended
Integration(InputWorkspace="sample", OutputWorkspace="sampleSum")
MaskDetectorsIf(InputWorkspace="sampleSum", InputCalFile=EXPR_FILE.Path2GrpFile, OutputCalFile=newCalFile,
Mode="DeselectIf", Operator="Equal", Value=10)
mtd.remove("sampleSum")
EXPR_FILE.Path2DatGrpFile = newCalFile
# isfirst always true when called from FocusAll
if EXPR_FILE.VGrpfocus == "sam" and isfirst:
cry_vana.create_vana(EXPR_FILE, NoAbs)
if EXPR_FILE.SEmptyFile[0] != "none":
# === Optionally loads Sample Empty ===
(dum1, uamps) = cry_sample.get_data_sum(EXPR_FILE.SEmptyFile, "Sempty", EXPR_FILE)
Minus(LHSWorkspace="sample", RHSWorkspace="Sempty", OutputWorkspace="sample")
mtd.remove("Sempty")
cry_load.align_fnc("sample", EXPR_FILE)
Divide(LHSWorkspace="sample", RHSWorkspace="Corr", OutputWorkspace="sample")
cry_load.scale_wspc("sample", scale)
if EXPR_FILE.CorrectSampleAbs == "yes":
if EXPR_FILE.SampleAbsCorrected == False:
cry_utils.correct_abs(InputWkspc="sample", outputWkspc="SampleTrans", \
TheCylinderSampleHeight=EXPR_FILE.SampleHeight, \
TheCylinderSampleRadius=EXPR_FILE.SampleRadius, \
TheAttenuationXSection=EXPR_FILE.SampleAttenuationXSection, \
TheScatteringXSection=EXPR_FILE.SampleScatteringXSection, \
TheSampleNumberDensity=EXPR_FILE.SampleNumberDensity, \
TheNumberOfSlices=EXPR_FILE.SampleNumberOfSlices, \
TheNumberOfAnnuli=EXPR_FILE.SampleNumberOfAnnuli, \
TheNumberOfWavelengthPoints=EXPR_FILE.SampleNumberOfWavelengthPoints, \
TheExpMethod=EXPR_FILE.SampleExpMethod)
EXPR_FILE.SampleAbsCorrected = True
else:
ConvertUnits(InputWorkspace="sample", OutputWorkspace="sample", Target="Wavelength")
Divide(LHSWorkspace="sample", RHSWorkspace="SampleTrans", OutputWorkspace="sample")
ConvertUnits(InputWorkspace="sample", OutputWorkspace="sample", Target="dSpacing")
DiffractionFocussing(InputWorkspace="sample", OutputWorkspace="sample",
GroupingFileName=EXPR_FILE.Path2DatGrpFile,
PreserveEvents=False)
divide_samp_vana(EXPR_FILE, Norm)
# === Cleans results in D and TOF before outputing bank by bank ===
cry_load.bin_bank("ResultD", EXPR_FILE.bankList, EXPR_FILE.Drange)
for i in EXPR_FILE.bankList:
ConvertUnits(InputWorkspace="ResultD-" + str(i), OutputWorkspace="ResultTOF-" + str(i), Target="TOF")
ReplaceSpecialValues(InputWorkspace="ResultD-" + str(i), OutputWorkspace="ResultD-" + str(i), NaNValue="0",
InfinityValue="0", BigNumberThreshold="99999999.99999999")
ReplaceSpecialValues(InputWorkspace="ResultTOF-" + str(i), OutputWorkspace="ResultTOF-" + str(i), NaNValue="0",
InfinityValue="0", BigNumberThreshold="99999999.99999999")
# === Output===
# GSS
GrpList = "ResultTOF-" + str(EXPR_FILE.bankList[0])
if len(EXPR_FILE.bankList[1:]) > 1:
for i in EXPR_FILE.bankList[1:]:
GrpList = GrpList + ",ResultTOF-" + str(i)
GroupWorkspaces(OutputWorkspace="ResultTOFgrp", InputWorkspaces=GrpList)
if EXPR_FILE.OutSuf == "":
OutputFile = join(EXPR_FILE.user, outname)
else:
OutputFile = join(EXPR_FILE.user, outname + "_" + EXPR_FILE.OutSuf)
# Gss
rearrang4gss(OutputFile, EXPR_FILE)
# Nexus
rearrange_4nex(OutputFile, EXPR_FILE)
# XYE
OutputFile = OutputFile + "_"
rearrange_4xye(OutputFile, EXPR_FILE, units="TOF")
rearrange_4xye(OutputFile, EXPR_FILE, units="D")
return outname + " focused with uampstotal=" + str(uampstotal)
def create_vana(EXPR_FILE, NoAbs=False, write_existingv=True):
# ==== Vana loading
(dum, uampstotal) = cry_sample.get_data_sum(EXPR_FILE.VanFile, "Vanadium",
EXPR_FILE)
# Subtract the empty instrument ===
(dum, uampstotal) = cry_sample.get_data_sum(EXPR_FILE.VEmptyFile, "Empty",
EXPR_FILE)
if uampstotal > 1e-6:
print " => Substract the Empty to the Vana"
Minus(LHSWorkspace="Vanadium",
RHSWorkspace="Empty",
OutputWorkspace="Vanadium_align")
mtd.remove("Empty")
cry_load.align_fnc("Vanadium_align", EXPR_FILE)
Divide(LHSWorkspace="Vanadium_align",
RHSWorkspace="Corr",
OutputWorkspace="Vanadium_corr")
if not NoAbs:
print " => Van Absortption correction"
cry_utils.correct_abs(
InputWkspc="Vanadium_corr",
outputWkspc="Transmission",
TheCylinderSampleHeight=EXPR_FILE.VHeight,
TheCylinderSampleRadius=EXPR_FILE.VRadius,
TheAttenuationXSection=EXPR_FILE.VAttenuationXSection,
TheScatteringXSection=EXPR_FILE.VScatteringXSection,
TheSampleNumberDensity=EXPR_FILE.VanaNumberDensity,
TheNumberOfSlices=EXPR_FILE.VNumberOfSlices,
TheNumberOfAnnuli=EXPR_FILE.VNumberOfAnnuli,
TheNumberOfWavelengthPoints=EXPR_FILE.VNumberOfWavelengthPoints,
TheExpMethod=EXPR_FILE.VExpMethod)
# --- Alternative way.
# ConvertUnits(InputWorkspace="Vanadium", OutputWorkspace="Vanadium", Target="Wavelength")
# CylinderAbsorption(InputWorkspace="Vanadium", OutputWorkspace="Vanadium",
# CylinderSampleHeight= EXPR_FILE.VHeight,
# CylinderSampleRadius= EXPR_FILE.VRadius,
# AttenuationXSection= EXPR_FILE.VAttenuationXSection,
# ScatteringXSection= EXPR_FILE.VScatteringXSection,
# SampleNumberDensity= EXPR_FILE.VanaNumberDensity,
# NumberOfSlices = EXPR_FILE.VNumberOfSlices,
# NumberOfAnnuli= EXPR_FILE.VNumberOfAnnuli,
# NumberOfWavelengthPoints = EXPR_FILE.VNumberOfWavelengthPoints,
# ExpMethod= EXPR_FILE.VExpMethod )
# ConvertUnits(InputWorkspace="Vanadium", OutputWorkspace="Vanadium", Target="dSpacing")
# (dum,uampstotal)=CRY_sample.get_data_sum(EXPR_FILE.VanFile,"Vanadium2",EXPR_FILE)
# Divide("Vanadium2", "Vanadium", "Vanadium")
##ConvertUnits(InputWorkspace=InputWkspc, OutputWorkspace=InputWkspc, Target="dSpacing")
# mtd.remove("Vanadium2")
##
print " => Focus type : " + EXPR_FILE.VGrpfocus
if EXPR_FILE.VGrpfocus == "sam":
GrpFile = EXPR_FILE.Path2DatGrpFile
else:
GrpFile = EXPR_FILE.Path2VanGrpFile
print " => Van Focused with the Cal file :" + GrpFile
DiffractionFocussing(InputWorkspace="Vanadium_corr",
OutputWorkspace="Vanadium_foc",
GroupingFileName=GrpFile,
PreserveEvents=False)
print " => VANADIUM FOCUSED"
ReplaceSpecialValues(InputWorkspace="Vanadium_foc",
OutputWorkspace="Vanadium",
NaNValue="0",
InfinityValue="0",
BigNumberThreshold="99999999.99999999")
SaveNexusProcessed(Filename=EXPR_FILE.CorrVanFile + "_unstripped.nxs",
InputWorkspace="Vanadium")
SaveFocusedXYE(Filename=EXPR_FILE.CorrVanFile + "_unstripped.dat",
InputWorkspace="Vanadium",
SplitFiles=True)
strip_the_vana(EXPR_FILE)
if EXPR_FILE.ExistV == 'no' and EXPR_FILE.VGrpfocus == 'van' and write_existingv:
EXPR_FILE.write_prefline("ExistingV", "yes")
EXPR_FILE.ExistV = "yes"
if not EXPR_FILE.debugMode:
mtd.remove("Vanadium_foc")
mtd.remove("Transmission")
mtd.remove("Vanadium_corr")
mtd.remove("Vanadium_align")
return False