-
Notifications
You must be signed in to change notification settings - Fork 0
/
Copy pathCRY_focus_wak.py
166 lines (159 loc) · 7.57 KB
/
CRY_focus_wak.py
1
2
3
4
5
6
7
8
9
10
11
12
13
14
15
16
17
18
19
20
21
22
23
24
25
26
27
28
29
30
31
32
33
34
35
36
37
38
39
40
41
42
43
44
45
46
47
48
49
50
51
52
53
54
55
56
57
58
59
60
61
62
63
64
65
66
67
68
69
70
71
72
73
74
75
76
77
78
79
80
81
82
83
84
85
86
87
88
89
90
91
92
93
94
95
96
97
98
99
100
101
102
103
104
105
106
107
108
109
110
111
112
113
114
115
116
117
118
119
120
121
122
123
124
125
126
127
128
129
130
131
132
133
134
135
136
137
138
139
140
141
142
143
144
145
146
147
148
149
150
151
152
153
154
155
156
157
158
159
160
161
162
163
164
165
166
from mantid.simpleapi import *
import CRY_utils
import CRY_load
import CRY_sample
import CRY_vana
#===========
# Focussing
# ==========
def FocusAll(expt, samplelistTexte, scale=0, NoVabs=False, NoSAC=False, Eff=True, Norm=True):
if scale == 0:
scale=float(expt.scale)
# === Norm boolean flag used to Optionally correct to a Vana ===
if Norm:
# SAC/EFF corrections loads the Vana
LoadSacEff(expt, NoSAC=NoSAC, Eff=Eff)
newCalFile=expt.user+expt.GrpFile
MaskDetectorsIf(InputWorkspace="Corr",InputCalFile=expt.Path2GrpFile,OutputCalFile=newCalFile,Mode="DeselectIf",Operator="Equal",Value=0)
expt.Path2GrpFile=newCalFile
errReadFiles=CRY_vana.CorrectOrLoadVana(expt,NoAbs=NoVabs)
if errReadFiles:
print 'No Required Vanadium data available, skip this treatement'
print 'Maybe, Vruns form a Wrong Cycle?'
return
else:
LoadSacEff(expt, NoSAC=True)
# === Construct a list of runs, sum of runs
sampleSumLists=CRY_utils.getSampleList(expt.basefile,samplelistTexte,expt.RawDir)
# to loop over
for sample2Add in sampleSumLists:
print '--------------------------'
print ' Start focus here '
print '--------------------------'
print " ---> " + Focus(expt,sample2Add, scale, Norm)
def LoadSacEff(expt, NoSAC=False, Eff=True):
# Loads SAC/Efficiency correction in wkspc "Corr" or sets it to "1"
if NoSAC:
CreateSingleValuedWorkspace(OutputWorkspace="Corr",DataValue= str(1))
print " => No SAC/Eff applied "
return
else:
# First try to load the vana (this won't crash if no vana run is set)....
(dum,uampstotal)=CRY_sample.getDataSum(expt.VanFile,"Vanadium",expt)
uampstotal = mtd["Vanadium"].getRun().getProtonCharge()
if uampstotal<1e-6:
print " => Van NOT found : No SAC/eff correction will be applied"
CreateSingleValuedWorkspace(OutputWorkspace="Corr",DataValue= str(1))
else:
print ' => Pre-calculate SAC from Vana '
SolidAngle(InputWorkspace="Vanadium",OutputWorkspace="Corr")
CreateSingleValuedWorkspace(OutputWorkspace="Sc",DataValue= str(100))
Multiply(LHSWorkspace="Corr",RHSWorkspace="Sc",OutputWorkspace="Corr")
if Eff:
Divide(LHSWorkspace="Vanadium",RHSWorkspace="Corr",OutputWorkspace="Vanadium")
print ' => Pre-calculate Efficiency correction from Vana '
ConvertUnits(InputWorkspace="Vanadium", OutputWorkspace="Vanadium", Target="Wavelength")
Integration(InputWorkspace="Vanadium",OutputWorkspace="Vanadium", \
RangeLower=expt.LowerLambda,RangeUpper=expt.UpperLambda)
Multiply(LHSWorkspace="Corr",RHSWorkspace="Vanadium",OutputWorkspace="Corr")
CreateSingleValuedWorkspace(OutputWorkspace="Sc",DataValue= str(100000))
Divide(LHSWorkspace="Corr",RHSWorkspace="Sc",OutputWorkspace="Corr")
mtd.remove("Sc")
# mtd.remove("Vanadium")
def Focus(expt, sampleAdd, scale, Norm):
(outname,uampstotal)=CRY_sample.getDataSum(sampleAdd,"sample",expt)
if uampstotal<1e-6:
return "No usable data, Raw files probably not found: cannot create "+outname+"\n"
if expt.SEmptyFile[0] <> "none":
# === Optionally loads Sample Empty ===
(dum1,uamps)=CRY_sample.getDataSum(expt.SEmptyFile,"Sempty",expt)
Minus(LHSWorkspace="sample",RHSWorkspace="Sempty",OutputWorkspace="sample")
mtd.remove("Sempty")
CRY_load.Align("sample",expt)
Divide(LHSWorkspace="sample",RHSWorkspace="Corr",OutputWorkspace="sample")
CRY_load.ScaleWspc("sample",scale)
if expt.CorrectSampleAbs=="yes":
if expt.SampleAbsCorrected==False:
CRY_utils.CorrectAbs(InputWkspc= "sample", outputWkspc="SampleTrans", \
TheCylinderSampleHeight= expt.SampleHeight, \
TheCylinderSampleRadius= expt.SampleRadius, \
TheAttenuationXSection= expt.SampleAttenuationXSection, \
TheScatteringXSection= expt.SampleScatteringXSection, \
TheSampleNumberDensity= expt.SampleNumberDensity, \
TheNumberOfSlices = expt.SampleNumberOfSlices, \
TheNumberOfAnnuli= expt.SampleNumberOfAnnuli, \
TheNumberOfWavelengthPoints= expt.SampleNumberOfWavelengthPoints, \
TheExpMethod= expt.SampleExpMethod )
expt.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=expt.Path2GrpFile)
print " => SAMPLE FOCUSED"
if not expt.dataRangeSet:
CRY_load.setsDrange("sample",expt)
CRY_load.SplitBank("sample",expt.bankList, Del=False)
# CRY_load.BinBank("sample",expt.bankList,expt.Drange)
if Norm:
# === Optional normalization ===
# CRY_load.BinBank("Vanadium",expt.bankList,expt.Drange)
for i in expt.bankList:
Divide(LHSWorkspace="sample-"+str(i),RHSWorkspace= "Vanadium-"+str(i),OutputWorkspace= "ResultD-"+str(i))
else:
for i in expt.bankList:
RenameWorkspace(InputWorkspace="sample-"+str(i),OutputWorkspace="ResultD-"+str(i))
# === Cleans results in D and TOF before outputing bank by bank ===
CRY_load.BinBank("ResultD",expt.bankList,expt.Drange)
for i in expt.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(expt.bankList[0])
for i in expt.bankList[1:]:
GrpList=GrpList+",ResultTOF-"+str(i)
GroupWorkspaces(OutputWorkspace="ResultTOFgrp",InputWorkspaces=GrpList)
if expt.OutSuf=="":
OutputFile=expt.user+outname
else:
OutputFile=expt.user+outname+"_"+expt.OutSuf
# Gss
rearrang4GSS(OutputFile,expt)
# Nexus
rearrang4Nex(OutputFile,expt)
# XYE
OutputFile=OutputFile+"_"
rearrange4XYE(OutputFile,expt,units="TOF")
rearrange4XYE(OutputFile,expt,units="D")
return outname+" focused with uampstotal="+str(uampstotal)
#===========
# Output in XYE, GSS...
# ==========
def rearrange4XYE(OutputFile,expt,units="TOF"):
if (units=="D" and expt.saveXYEd) or (units=="TOF" and expt.saveXYEtof):
for i in expt.bankList:
inwkpsc="Result"+units+"-"+str(i)
SaveFocusedXYE(InputWorkspace=inwkpsc, Filename=OutputFile+"b"+str(i)+"_"+units+".dat", SplitFiles="False")
def rearrang4GSS(OutputFile,expt):
if expt.GSS == "no":
return
SaveGSS(InputWorkspace="ResultTOFgrp", Filename=OutputFile+".gss", SplitFiles="False", Append=False )
def rearrang4Nex(OutputFile,expt):
if expt.Nex == "no":
return
#SaveNexusProcessed(Filename=OutputFile+".nxs", InputWorkspace="ResultTOFgrp")
# WAK end
groupList = mtd["ResultTOFgrp"].getNames()
for name in groupList[1:]:
# WAK in: convert to d-spacing 5/05/2010
ConvertUnits(InputWorkspace=name, OutputWorkspace=name, Target="dSpacing")
SaveNexusProcessed(InputWorkspace=name,Filename=OutputFile+'.nxs', Append=True)
if __name__ == '__main__':
rearrange4XYE("ResultTOFtmp",0,"11200,-0.0003,104000","tst1.dat",units="TOF")
rearrange4XYE("ResultTOFtmp",1,"11200,-0.0008,104000","tst2.dat",units="TOF")
rearrange4XYE("ResultTOFtmp",2,"11200,-0.0012,104000","tst3.dat",units="TOF")
#CorrectVana(VanFile,EmptyFile,AcalibFile,1)
#normalizeall(SampleDatFile,AcalibFile)
#rearrangeallbanks(OutputFile,"")