Newer
Older
import stresstesting
from mantid.simpleapi import *
from mantid import *
import os
import numpy as n
from abc import ABCMeta, abstractmethod
'''Test adapted from actual script used by the scientists'''
class PEARL_Reduction(stresstesting.MantidStressTest):
__metaclass__ = ABCMeta # Mark as an abstract class
def __init__(self):
stresstesting.MantidStressTest.__init__(self)
self.attenfile = "PRL112_DC25_10MM_FF.OUT"
self.tofbinning="1500,-0.0006,19900"
self.calfile="pearl_offset_12_1.cal"
self.groupfile="pearl_group_12_1_TT70.cal"
self.vanfile="van_spline_TT70_cycle_12_1.nxs"
self.cycle="12_1"
self.instver="new2"
self.mode="all"
self.tt_mode="TT70"
self.saved_outfile = ''
self.saved_gssfile = ''
self.reference_nexus = ''
self.reference_gss = ''
self.reference_workspace = ''
def runTest(self):
self.do_focus()
def doValidation(self):
'''Override doValidation to vaildate two things at the same time'''
# reset validate() method to call validateNexus() instead
self.validate = self.validateNexus
res = self.validateWorkspaceToNeXus()
if not res:
return False
# reset validate() method to call validateGSS() instead
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
self.validate = self.validateGSS
res = self.validateASCII()
return res
def cleanup(self):
'''Remove temporary files'''
if os.path.exists(self.saved_outfile):
os.remove(self.saved_outfile)
if os.path.exists(self.saved_gssfile):
os.remove(self.saved_gssfile)
@abstractmethod
def do_focus(self):
raise NotImplementedError("Implmenent do_focus to do actual test.")
def validateNexus(self):
'''Compare the result of reduction with the reference nexus file'''
return self.reference_workspace,self.reference_nexus
def validateGSS(self):
'''Validate the created gss file'''
from mantid.api import FileFinder
return self.saved_gssfile,FileFinder.getFullPath(self.reference_gss)
def PEARL_getlambdarange(self):
return 0.03,6.00
def PEARL_getmonitorspectrum(self, runno):
return 1
def PEARL_getfilename(self, run_number,ext):
digit=len(str(run_number))
numdigits=8
filename="PEARL"
for i in range(0,numdigits-digit):
filename=filename+"0"
filename+=str(run_number)+"."+ext
return filename
def PearlLoad(self, files,ext,outname):
if type(files) is int:
infile=self.PEARL_getfilename(files,ext)
LoadRaw(Filename=infile,OutputWorkspace=outname,LoadLogFiles="0")
else:
loop=0
num=files.split("_")
frange=range(int(num[0]),int(num[1])+1)
for i in frange:
infile=self.PEARL_getfilename(i,ext)
outwork="run"+str(i)
LoadRaw(Filename=infile,OutputWorkspace=outwork,LoadLogFiles="0")
loop=loop+1
if loop == 2:
firstwk="run"+str(i-1)
secondwk="run"+str(i)
Plus(LHSWorkspace=firstwk,RHSWorkspace=secondwk,OutputWorkspace=outname)
mtd.remove(firstwk)
mtd.remove(secondwk)
elif loop > 2:
secondwk="run"+str(i)
Plus(LHSWorkspace=outname,RHSWorkspace=secondwk,OutputWorkspace=outname)
mtd.remove(secondwk)
return
def PearlLoadMon(self, files,ext,outname):
if type(files) is int:
infile=self.PEARL_getfilename(files,ext)
mspectra=self.PEARL_getmonitorspectrum(files)
LoadRaw(Filename=infile,OutputWorkspace=outname,SpectrumMin=mspectra,SpectrumMax=mspectra,LoadLogFiles="0")
else:
loop=0
num=files.split("_")
frange=range(int(num[0]),int(num[1])+1)
mspectra=self.PEARL_getmonitorspectrum(int(num[0]))
for i in frange:
infile=self.PEARL_getfilename(i,ext)
outwork="mon"+str(i)
LoadRaw(Filename=infile,OutputWorkspace=outwork,SpectrumMin=mspectra,SpectrumMax=mspectra,LoadLogFiles="0")
loop=loop+1
if loop == 2:
firstwk="mon"+str(i-1)
secondwk="mon"+str(i)
Plus(LHSWorkspace=firstwk,RHSWorkspace=secondwk,OutputWorkspace=outname)
mtd.remove(firstwk)
mtd.remove(secondwk)
elif loop > 2:
secondwk="mon"+str(i)
Plus(LHSWorkspace=outname,RHSWorkspace=secondwk,OutputWorkspace=outname)
mtd.remove(secondwk)
return
def PEARL_getmonitor(self, number,ext,spline_terms=20):
works="monitor"+str(number)
self.PearlLoadMon(number,ext,works)
ConvertUnits(InputWorkspace=works,OutputWorkspace=works,Target="Wavelength")
lmin,lmax=self.PEARL_getlambdarange()
CropWorkspace(InputWorkspace=works,OutputWorkspace=works,XMin=lmin,XMax=lmax)
ex_regions=n.zeros((2,4))
ex_regions[:,0]=[3.45,3.7]
ex_regions[:,1]=[2.96,3.2]
ex_regions[:,2]=[2.1,2.26]
ex_regions[:,3]=[1.73,1.98]
for reg in range(0,4):
MaskBins(InputWorkspace=works,OutputWorkspace=works,XMin=ex_regions[0,reg],XMax=ex_regions[1,reg])
SplineBackground(InputWorkspace=works,OutputWorkspace=works,WorkspaceIndex=0,NCoeff=spline_terms)
return works
157
158
159
160
161
162
163
164
165
166
167
168
169
170
171
172
173
174
175
176
177
178
179
180
181
182
183
184
185
186
187
188
189
190
191
192
193
194
195
196
197
198
199
200
201
202
203
204
205
206
207
208
209
210
211
212
213
214
215
216
217
218
219
220
221
222
223
224
225
226
227
228
229
230
231
232
233
234
235
236
237
238
239
240
241
242
243
244
245
246
247
248
249
250
251
252
253
254
255
256
257
258
259
260
261
262
263
264
265
266
267
268
269
270
271
272
273
274
275
276
277
278
279
280
281
282
283
284
285
286
287
288
289
290
291
292
293
294
295
296
297
298
299
300
301
302
303
304
305
306
307
308
309
310
311
312
313
314
315
316
317
318
319
320
321
322
323
324
325
326
327
328
329
330
331
332
333
334
335
336
def PEARL_read(self, number,ext,outname):
self.PearlLoad(number,ext,outname)
ConvertUnits(InputWorkspace=outname,OutputWorkspace=outname,Target="Wavelength")
monitor=self.PEARL_getmonitor(number,ext,spline_terms=20)
NormaliseToMonitor(InputWorkspace=outname,OutputWorkspace=outname,MonitorWorkspace=monitor,IntegrationRangeMin=0.6,IntegrationRangeMax=5.0)
ConvertUnits(InputWorkspace=outname,OutputWorkspace=outname,Target="TOF")
mtd.remove(monitor)
return
def PEARL_focus(self, number,ext="raw",fmode="trans",ttmode="TT70",atten=True,van_norm=True):
self.tt_mode=ttmode
self.mode=fmode
work="work"
focus="focus"
if type(number) is int:
outfile="PRL"+str(number)+".nxs"
gssfile="PRL"+str(number)+".gss"
outwork="PRL"+str(number)
else:
outfile="PRL"+number+".nxs"
gssfile="PRL"+number+".gss"
outwork="PRL"+number
self.PEARL_read(number,ext,work)
Rebin(InputWorkspace=work,OutputWorkspace=work,Params=self.tofbinning)
AlignDetectors(InputWorkspace=work,OutputWorkspace=work,CalibrationFile=self.calfile)
DiffractionFocussing(InputWorkspace=work,OutputWorkspace=focus,GroupingFileName=self.groupfile)
mtd.remove(work)
for i in range(0,14):
output="mod"+str(i+1)
van="van"+str(i+1)
rdata="rdata"+str(i+1)
if van_norm:
LoadNexus(Filename=self.vanfile,OutputWorkspace=van,EntryNumber=i+1)
ExtractSingleSpectrum(InputWorkspace=focus,OutputWorkspace=rdata,WorkspaceIndex=i)
Rebin(InputWorkspace=van,OutputWorkspace=van,Params=self.tofbinning)
ConvertUnits(InputWorkspace=rdata,OutputWorkspace=rdata,Target="TOF")
Rebin(InputWorkspace=rdata,OutputWorkspace=rdata,Params=self.tofbinning)
Divide(LHSWorkspace=rdata,RHSWorkspace=van,OutputWorkspace=output)
CropWorkspace(InputWorkspace=output,OutputWorkspace=output,XMin=0.1)
Scale(InputWorkspace=output,OutputWorkspace=output,Factor=10)
else:
ExtractSingleSpectrum(InputWorkspace=focus,OutputWorkspace=rdata,WorkspaceIndex=i)
ConvertUnits(InputWorkspace=rdata,OutputWorkspace=rdata,Target="TOF")
Rebin(InputWorkspace=rdata,OutputWorkspace=output,Params=self.tofbinning)
CropWorkspace(InputWorkspace=output,OutputWorkspace=output,XMin=0.1)
mtd.remove(focus)
if self.mode=="all":
CloneWorkspace(InputWorkspace="mod1",OutputWorkspace="bank1")
for i in range(1,9):
toadd="mod"+str(i+1)
Plus(LHSWorkspace="bank1",RHSWorkspace=toadd,OutputWorkspace="bank1")
Scale(InputWorkspace="bank1",OutputWorkspace="bank1",Factor=0.111111111111111)
SaveGSS(InputWorkspace="bank1",Filename=gssfile,Append=False,Bank=1)
ConvertUnits(InputWorkspace="bank1",OutputWorkspace="bank1",Target="dSpacing")
SaveNexus(Filename=outfile,InputWorkspace="bank1",Append=False)
for i in range(0,5):
tosave="mod"+str(i+10)
SaveGSS(InputWorkspace=tosave,Filename=gssfile,Append=True,Bank=i+2)
ConvertUnits(InputWorkspace=tosave,OutputWorkspace=tosave,Target="dSpacing")
SaveNexus(Filename=outfile,InputWorkspace=tosave,Append=True)
for i in range(0,14):
output="mod"+str(i+1)
van="van"+str(i+1)
rdata="rdata"+str(i+1)
mtd.remove(rdata)
mtd.remove(van)
mtd.remove(output)
mtd.remove("bank1")
elif self.mode=="groups":
CloneWorkspace(InputWorkspace="mod1",OutputWorkspace="group1")
CloneWorkspace(InputWorkspace="mod4",OutputWorkspace="group2")
CloneWorkspace(InputWorkspace="mod7",OutputWorkspace="group3")
for i in range(1,3):
toadd="mod"+str(i+1)
Plus(LHSWorkspace="group1",RHSWorkspace=toadd,OutputWorkspace="group1")
Scale(InputWorkspace="group1",OutputWorkspace="group1",Factor=0.333333333333)
for i in range(1,3):
toadd="mod"+str(i+4)
Plus(LHSWorkspace="group2",RHSWorkspace=toadd,OutputWorkspace="group2")
Scale(InputWorkspace="group2",OutputWorkspace="group2",Factor=0.333333333333)
for i in range(1,3):
toadd="mod"+str(i+7)
Plus(LHSWorkspace="group3",RHSWorkspace=toadd,OutputWorkspace="group3")
Scale(InputWorkspace="group3",OutputWorkspace="group3",Factor=0.333333333333)
Plus(LHSWorkspace="group2",RHSWorkspace="group3",OutputWorkspace="group23")
Scale(InputWorkspace="group23",OutputWorkspace="group23",Factor=0.5)
SaveGSS("group1",Filename=gssfile,Append=False,Bank=1)
ConvertUnits(InputWorkspace="group1",OutputWorkspace="group1",Target="dSpacing")
SaveNexus(Filename=outfile,InputWorkspace="group1",Append=False)
SaveGSS(InputWorkspace="group2",Filename=gssfile,Append=True,Bank=2)
ConvertUnits(InputWorkspace="group2",OutputWorkspace="group2",Target="dSpacing")
SaveNexus(Filename=outfile,InputWorkspace="group2",Append=True)
SaveGSS(InputWorkspace="group3",Filename=gssfile,Append=True,Bank=3)
ConvertUnits(InputWorkspace="group3",OutputWorkspace="group3",Target="dSpacing")
SaveNexus(Filename=outfile,InputWorkspace="group3",Append=True)
SaveGSS(InputWorkspace="group23",Filename=gssfile,Append=True,Bank=4)
ConvertUnits(InputWorkspace="group23",OutputWorkspace="group23",Target="dSpacing")
SaveNexus(Filename=outfile,InputWorkspace="group23",Append=True)
for i in range(0,3):
tosave="mod"+str(i+10)
SaveGSS(InputWorkspace=tosave,Filename=gssfile,Append=True,Bank=i+5)
ConvertUnits(InputWorkspace=tosave,OutputWorkspace=tosave,Target="dSpacing")
SaveNexus(Filename=outfile,InputWorkspace=tosave,Append=True)
for i in range(0,14):
output="mod"+str(i+1)
van="van"+str(i+1)
rdata="rdata"+str(i+1)
mtd.remove(rdata)
mtd.remove(van)
mtd.remove(output)
mtd.remove("group1")
mtd.remove("group2")
mtd.remove("group3")
mtd.remove("group23")
elif self.mode=="trans":
CloneWorkspace(InputWorkspace="mod1",OutputWorkspace="bank1")
for i in range(1,9):
toadd="mod"+str(i+1)
Plus(LHSWorkspace="bank1",RHSWorkspace=toadd,OutputWorkspace="bank1")
Scale(InputWorkspace="bank1",OutputWorkspace="bank1",Factor=0.111111111111111)
if atten:
ConvertUnits(InputWorkspace="bank1",OutputWorkspace="bank1",Target="dSpacing")
CloneWorkspace(InputWorkspace="bank1",OutputWorkspace=outwork+"_noatten")
self.PEARL_atten("bank1","bank1")
ConvertUnits(InputWorkspace="bank1",OutputWorkspace="bank1",Target="TOF")
SaveGSS(InputWorkspace="bank1",Filename=gssfile,Append=False,Bank=1)
ConvertUnits(InputWorkspace="bank1",OutputWorkspace="bank1",Target="dSpacing")
SaveNexus(Filename=outfile,InputWorkspace="bank1",Append=False)
for i in range(0,9):
tosave="mod"+str(i+1)
ConvertUnits(InputWorkspace=tosave,OutputWorkspace=tosave,Target="dSpacing")
SaveNexus(Filename=outfile,InputWorkspace=tosave,Append=True)
for i in range(0,14):
output="mod"+str(i+1)
van="van"+str(i+1)
rdata="rdata"+str(i+1)
mtd.remove(rdata)
mtd.remove(van)
mtd.remove(output)
mtd.remove("bank1")
elif self.mode=="mods":
for i in range(0,12):
output="mod"+str(i+1)
van="van"+str(i+1)
rdata="rdata"+str(i+1)
if i==0:
SaveGSS(InputWorkspace=output,Filename=gssfile,Append=False,Bank=i+1)
ConvertUnits(InputWorkspace=output,OutputWorkspace=output,Target="dSpacing")
SaveNexus(Filename=outfile,InputWorkspace=output,Append=False)
else:
SaveGSS(InputWorkspace=output,Filename=gssfile,Append=True,Bank=i+1)
ConvertUnits(InputWorkspace=output,OutputWorkspace=output,Target="dSpacing")
SaveNexus(Filename=outfile,InputWorkspace=output,Append=True)
mtd.remove(rdata)
mtd.remove(van)
mtd.remove(output)
else:
print "Sorry I don't know that mode", mode
return
LoadNexus(Filename=outfile,OutputWorkspace=outwork)
# temporary nxs file to be deleted on cleanup
self.saved_outfile = os.path.join(config['defaultsave.directory'],outfile)
# temporary gss file to be deleted on cleanup
self.saved_gssfile = os.path.join(config['defaultsave.directory'],gssfile).replace('.gss','-0.gss')
# name of the reference nxs file which is the same as outfile
self.reference_nexus = outfile.replace('PRL','PEARL')
# name of the reference gss file
self.reference_gss = gssfile.replace('.gss','-0.gss').replace('PRL','PEARL')
# workspace to be compared with reference_nexus
def PEARL_atten(self, work,outwork):
PearlMCAbsorption(Filename=self.attenfile,OutputWorkspace="wc_atten")
ConvertToHistogram(InputWorkspace="wc_atten",OutputWorkspace="wc_atten")
RebinToWorkspace(WorkspaceToRebin="wc_atten",WorkspaceToMatch=work,OutputWorkspace="wc_atten")
Divide(LHSWorkspace=work,RHSWorkspace="wc_atten",OutputWorkspace=outwork)
mtd.remove("wc_atten")
return
#================================================================================
class PEARL_Mode_trans(PEARL_Reduction):
#self.reference_nexus = "PRL75318_75323.nxs"
return self.PEARL_focus("75318_75323","raw",fmode="trans",ttmode="TT70",atten=True)
def doValidation(self):
'''Validate an additional workspace'''
res = PEARL_Reduction.doValidation(self)
if not res:
return False
self.validate = self.validateNoAtten
return self.validateWorkspaceToNeXus()
def validateNoAtten(self):
return 'PRL75318_75323_noatten','PEARL75318_75323_noatten.nxs'
#================================================================================
class PEARL_Mode_all_Si(PEARL_Reduction):
#self.reference_nexus = "PRL74798_74800.nxs"
return self.PEARL_focus("74798_74800","raw",fmode="all",ttmode="TT70",atten=False)
#================================================================================
class PEARL_Mode_all_CeO2(PEARL_Reduction):
#self.reference_nexus = "PRL74795_74797.nxs"
return self.PEARL_focus("74795_74797","raw",fmode="all",ttmode="TT70",atten=False)
#================================================================================