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WriteUSANSData.ipf @ 962

Last change on this file since 962 was 739, checked in by srkline, 13 years ago

Now, the XML writer writes out + dQv to the dQl field for each point. Since this field in the XML file identifies the data as USANS, it is used as the flag. Upon loading the global USANS_dQv is set to abs(dQv)

our old 6-column format still writes out the last three columns as -(dQv) and keys on the negative number to flag it as USANS.

Property eol-style set to native
Property svn:executable set to *

File size: 15.1 KB

Line
1	#pragma rtGlobals=1 // Use modern global access method.
2	#pragma Version=2.20
3	#pragma IgorVersion=6.1
4
5	//////////////
6	//for writing out data (q-i-s-dum-dum-dum) from the "type" folder
7	//if fullpath is a complete HD path:filename, no dialog will be presented
8	//if fullpath is just a filename, the save dialog will be presented (forced if dialog =1)
9	//lo,hi are an (optional) range of the data[lo,hi] to save (in points)
10	//if lo=hi=0, all of the data is written out
11	//
12	//////// 27 OCT 04
13	// now writes 6-column data such that the last three columns are the divergence
14	// = a constant value, set in Init_MainUSANS()
15	//
16	Function WriteUSANSWaves(type,fullpath,lo,hi,dialog)
17	String type,fullpath
18	Variable lo,hi,dialog //=1 will present dialog for name
19
20	SVAR USANSFolder = root:Packages:NIST:USANS:Globals:gUSANSFolder
21
22
23	String termStr="\r\n" //VAX uses only <CR> as terminator, but only CRLF seems to FTP correctly to VAX
24	String destStr="",formatStr = "%15.6g %15.6g %15.6g %15.6g %15.6g %15.6g"+termStr
25	destStr = USANSFolder+":"+type
26
27	Variable refNum,integer,realval
28
29	//***these waves MUST EXIST, or IGOR Pro will crash, with a type 2 error**
30	WAVE qvals =$(destStr + ":Qvals")
31	WAVE inten=$(destStr + ":DetCts")
32	WAVE sig=$(destStr + ":ErrDetCts")
33
34	//check each wave
35	If(!(WaveExists(qvals)))
36	Abort "qvals DNExist in WriteUSANSWaves()"
37	Endif
38	If(!(WaveExists(inten)))
39	Abort "inten DNExist in WriteUSANSWaves()"
40	Endif
41	If(!(WaveExists(sig)))
42	Abort "sig DNExist in WriteUSANSWaves()"
43	Endif
44
45	// 27 OCT 04 SRK
46	// make a dummy wave to hold the divergence, and write it as the last 3 columns
47	// and make the value negative as a flag for the analysis software
48	//
49	Duplicate/O qvals,dumWave
50	NVAR DQv=$(USANSFolder+":Globals:MainPanel:gDQv")
51	dumWave = - DQv
52	///
53	if(dialog)
54	PathInfo/S savePathName
55	fullPath = DoSaveFileDialog("Save data as")
56	If(cmpstr(fullPath,"")==0)
57	//user cancel, don't write out a file
58	Close/A
59	Abort "no data file was written"
60	Endif
61	//Print "dialog fullpath = ",fullpath
62	Endif
63
64	//write out partial set?
65	Duplicate/O qvals,tq,ti,te
66	ti=inten
67	te=sig
68	if( (lo!=hi) && (lo<hi))
69	redimension/N=(hi-lo+1) tq,ti,te,dumWave //lo to hi, inclusive
70	tq=qvals[p+lo]
71	ti=inten[p+lo]
72	te=sig[p+lo]
73	endif
74
75	//tailor the output given the type of data written out...
76	WAVE inten_EMP=$(USANSFolder+":EMP:DetCts")
77	String samStr="",empStr="",dateStr="",samLabelStr="",paramStr="",empLevStr="",bkgLevStr=""
78	String pkStr=""
79	NVAR TransWide = $(USANSFolder+":Globals:MainPanel:gTransWide")
80	NVAR TransRock = $(USANSFolder+":Globals:MainPanel:gTransRock")
81	NVAR empCts = $(USANSFolder+":Globals:MainPanel:gEmpCts")
82	NVAR bkgCts = $(USANSFolder+":Globals:MainPanel:gBkgCts")
83	NVAR thick = $(USANSFolder+":Globals:MainPanel:gThick")
84
85	strswitch(type)
86	case "SAM":
87	samStr = type +" FILES: "+StringByKey("FILE",note(inten),":",";")
88	empStr = "Uncorrected SAM data"
89	empLevStr = "Uncorrected SAM data"
90	bkgLevStr = "Uncorrected SAM data"
91	paramStr = "Uncorrected SAM data"
92	pkStr += "SAM PEAK ANGLE: "+num2str(QpkFromNote("SAM"))
93	break
94	case "EMP":
95	samStr = type +" FILES: "+StringByKey("FILE",note(inten),":",";")
96	empStr = "Uncorrected EMP data"
97	empLevStr = "Uncorrected EMP data"
98	bkgLevStr = "Uncorrected EMP data"
99	paramStr = "Uncorrected EMP data"
100	pkStr += "EMP PEAK ANGLE: "+num2str(QpkFromNote("EMP"))
101	break
102	default: //"COR" is the default
103	samStr = type +" FILES: "+StringByKey("FILE",note(inten),":",";")
104	empStr = "EMP FILES: "+StringByKey("FILE",note(inten_EMP),":",";")
105	empLevStr = "EMP LEVEL: " + num2str(empCts)
106	bkgLevStr = "BKG LEVEL: " + num2str(bkgCts)
107	paramStr = "Ds = "+num2str(thick)+" cm ; "
108	paramStr += "Twide = "+num2Str(TransWide)+" ; "
109	paramStr += "Trock = "+num2str(TransRock)
110	pkStr += "SAM PEAK ANGLE: "+num2str(QpkFromNote("SAM"))
111	pkStr += " ; EMP PEAK ANGLE: "+num2str(QpkFromNote("EMP"))
112	endswitch
113
114	//these strings are always the same
115	dateStr="CREATED: "+date()+" at "+time()
116	samLabelStr ="LABEL: "+StringByKey("LABEL",note(inten),":",";")
117
118	//actually open the file
119	Open refNum as fullpath
120
121	fprintf refnum,"%s"+termStr,samStr
122	fprintf refnum,"%s"+termStr,dateStr
123	fprintf refnum,"%s"+termStr,samLabelStr
124	fprintf refnum,"%s"+termStr,empStr
125	fprintf refnum,"%s"+termStr,paramStr
126	fprintf refnum,"%s"+termStr,pkStr
127	fprintf refnum,"%s"+termStr,empLevStr + " ; "+bkglevStr
128
129	//
130	wfprintf refnum, formatStr, tq,ti,te,dumWave,dumWave,dumWave
131
132	Close refnum
133
134	Killwaves/Z ti,tq,te,dumWave
135
136	Return(0)
137	End
138
139
140	// convert "old" 3-column .cor files to "new" 6-column files
141	// Append the suffix="_6col.cor" to the new data files
142	//
143	// these "old" files will all have dQv = 0.037 (1/A) to match the
144	// absolute scaling constant. "New" files written Nov 2004 or later
145	// will have the appropriate values of dQv and scaling, as set in
146	// the initialization routines.
147	//
148	// files were written out in the style above, 7 header lines, then the data
149	//
150	Function Convert3ColTo6Col()
151
152	String termStr="\r\n" //VAX uses only <CR> as terminator, but only CRLF seems to FTP correctly to VAX
153	String formatStr = "%15.6g %15.6g %15.6g %15.6g %15.6g %15.6g"+termStr
154	String newFName="",suffix="_6col.cor",fullpath=""
155
156	Variable refNum_old,refnum_new,integer,realval
157
158	// 08 NOV 04 SRK
159	Variable ii,dQv = -0.037 //hard-wired value for divergence (pre- NOV 2004 value)
160	///
161
162	Open/R/D/M="Select the 3-column data file"/T="????" refnum_old //won't actually open the file
163	If(cmpstr(S_filename,"")==0)
164	//user cancel, don't write out a file
165	Close/A
166	Abort "no data file was written"
167	Endif
168	fullpath = S_filename
169	newFname = fullpath[0,strlen(fullpath)-5]+suffix
170	Print fullpath
171	Print newFname
172
173	String tmpStr
174	String extraStr=""
175	sprintf extraStr,"%15.6g %15.6g %15.6g",dQv,dQv,dQv
176	extraStr += termStr
177	//actually open each of the files
178	Open/R refNum_old as fullpath
179	Open refNum_new as newFname
180
181	//7 header lines
182	for(ii=0;ii<7;ii+=1)
183	FReadLine refNum_old, tmpStr //returns only CR
184	fprintf refnum_new,tmpStr+"\n" // add LF so file has CRLF
185	endfor
186
187	do
188	FReadLine refNum_old, tmpStr
189	if(strlen(tmpStr)==0)
190	break
191	endif
192	fprintf refnum_new,tmpStr[0,strlen(tmpStr)-2]+extraStr
193	while(1)
194
195	Close refnum_old
196	Close refnum_new
197
198	Return(0)
199	End
200
201	/////////XML Routines////////
202	///AJJ Jan 2010
203	///Have to put these here, annoyingly, because we depend on USANS specific functions
204	///Need to think about consolidation of functions.
205
206	#if( Exists("XmlOpenFile") )
207
208	Function WriteXMLUSANSWaves(type,fullpath,lo,hi,dialog)
209	String type,fullpath
210	Variable lo,hi,dialog //=1 will present dialog for name
211
212	SVAR USANSFolder = root:Packages:NIST:USANS:Globals:gUSANSFolder
213	NVAR dQv = root:Packages:NIST:USANS:Globals:MainPanel:gDQv
214
215	Struct NISTXMLfile nf
216
217	String termStr="\r\n" //VAX uses only <CR> as terminator, but only CRLF seems to FTP correctly to VAX
218	String destStr="",formatStr = "%15.6g %15.6g %15.6g %15.6g %15.6g %15.6g"+termStr
219	destStr = USANSFolder+":"+type
220
221	Variable refNum,integer,realval
222
223
224	//***these waves MUST EXIST, or IGOR Pro will crash, with a type 2 error**
225	WAVE qvals =$(destStr + ":Qvals")
226	WAVE inten=$(destStr + ":DetCts")
227	WAVE sig=$(destStr + ":ErrDetCts")
228
229	//check each wave
230	If(!(WaveExists(qvals)))
231	Abort "qvals DNExist in WriteUSANSWaves()"
232	Endif
233	If(!(WaveExists(inten)))
234	Abort "inten DNExist in WriteUSANSWaves()"
235	Endif
236	If(!(WaveExists(sig)))
237	Abort "sig DNExist in WriteUSANSWaves()"
238	Endif
239
240	//Use the evil extra column for the resolution "information". Should probably switch to using slit_length in collimation.
241	Duplicate/O qvals,dumWave
242	dumWave = dQv //written out as a positive value, since the column is identified by its label, dQl
243	///
244
245	if(dialog)
246	PathInfo/S catPathName
247	fullPath = DoSaveFileDialog("Save data as",fname="",suffix="."+type+"x")
248	If(cmpstr(fullPath,"")==0)
249	//user cancel, don't write out a file
250	Close/A
251	Abort "no data file was written"
252	Endif
253	//Print "dialog fullpath = ",fullpath
254	Endif
255
256	//write out partial set?
257	// duplicate the original data, all 3 waves
258	Duplicate/O qvals,tq,ti,te
259	ti=inten
260	te=sig
261	if( (lo!=hi) && (lo<hi))
262	redimension/N=(hi-lo+1) tq,ti,te,dumWave //lo to hi, inclusive
263	tq=qvals[p+lo]
264	ti=inten[p+lo]
265	te=sig[p+lo]
266	endif
267
268	//Data
269	Wave nf.Q = tq
270	nf.unitsQ = "1/A"
271	Wave nf.I = ti
272	nf.unitsI = "1/cm"
273	Wave nf.Idev = te
274	nf.unitsIdev = "1/cm"
275	// for slit-smeared USANS, set only a 4th column to -dQv
276	Wave nf.dQl = dumWave
277	nf.unitsdQl= "1/A"
278
279	//write out the standard header information
280	//fprintf refnum,"FILE: %s\t\t CREATED: %s\r\n",textw[0],textw[1]
281
282	//tailor the output given the type of data written out...
283	WAVE inten_EMP=$(USANSFolder+":EMP:DetCts")
284	String samStr="",empStr="",dateStr="",samLabelStr="",paramStr="",empLevStr="",bkgLevStr=""
285	String pkStr=""
286	NVAR TransWide = $(USANSFolder+":Globals:MainPanel:gTransWide")
287	NVAR TransRock = $(USANSFolder+":Globals:MainPanel:gTransRock")
288	NVAR empCts = $(USANSFolder+":Globals:MainPanel:gEmpCts")
289	NVAR bkgCts = $(USANSFolder+":Globals:MainPanel:gBkgCts")
290	NVAR thick = $(USANSFolder+":Globals:MainPanel:gThick")
291
292	strswitch(type)
293	case "SAM":
294	samStr = type +" FILES: "+StringByKey("FILE",note(inten),":",";")
295	empStr = "Uncorrected SAM data"
296	empLevStr = "Uncorrected SAM data"
297	bkgLevStr = "Uncorrected SAM data"
298	paramStr = "Uncorrected SAM data"
299	pkStr += "SAM PEAK ANGLE: "+num2str(QpkFromNote("SAM"))
300	break
301	case "EMP":
302	samStr = type +" FILES: "+StringByKey("FILE",note(inten),":",";")
303	empStr = "Uncorrected EMP data"
304	empLevStr = "Uncorrected EMP data"
305	bkgLevStr = "Uncorrected EMP data"
306	paramStr = "Uncorrected EMP data"
307	pkStr += "EMP PEAK ANGLE: "+num2str(QpkFromNote("EMP"))
308	break
309	default: //"COR" is the default
310	samStr = type +" FILES: "+StringByKey("FILE",note(inten),":",";")
311	empStr = "EMP FILES: "+StringByKey("FILE",note(inten_EMP),":",";")
312	empLevStr = "EMP LEVEL: " + num2str(empCts)
313	bkgLevStr = "BKG LEVEL: " + num2str(bkgCts)
314	paramStr = "Ds = "+num2str(thick)+" cm ; "
315	paramStr += "Twide = "+num2Str(TransWide)+" ; "
316	paramStr += "Trock = "+num2str(TransRock)
317	pkStr += "SAM PEAK ANGLE: "+num2str(QpkFromNote("SAM"))
318	pkStr += " ; EMP PEAK ANGLE: "+num2str(QpkFromNote("EMP"))
319	endswitch
320
321
322	//AJJ to fix with sensible values
323	nf.run = ""
324	nf.nameSASinstrument = "BT5 USANS"
325	nf.SASnote = ""
326	//
327	nf.sample_ID = ""
328	nf.title = StringByKey("LABEL",note(inten),":",";")
329	nf.radiation = "neutron"
330	nf.wavelength = 2.38
331	nf.unitswavelength = "A"
332	nf.sample_thickness = thick
333	nf.unitssample_thickness = "cm"
334
335	//Do something with beamstop (rw[21])
336	nf.detector_name = "BT5 DETECTOR ARRAY"
337
338	nf.SASprocessnote = samStr+"\n"
339	nf.SASprocessnote += dateStr+"\n"
340	nf.SASprocessnote += samLabelStr+"\n"
341	nf.SASprocessnote += empStr+"\n"
342	nf.SASprocessnote += paramStr+"\n"
343	nf.SASprocessnote += pkStr+"\n"
344	nf.SASprocessnote += empLevStr + " ; "+bkglevStr+"\n"
345
346	nf.nameSASProcess = "NIST IGOR"
347
348	//Close refnum
349
350	writeNISTXML(fullpath, nf)
351
352	SetDataFolder root: //(redundant)
353
354	//write confirmation of write operation to history area
355	Print "Averaged XML File written: ", GetFileNameFromPathNoSemi(fullPath)
356	KillWaves/Z dumWave
357	Return(0)
358	End
359
360	Function WriteXMLUSANSDesmeared(fullpath,lo,hi,dialog)
361	String fullpath
362	Variable lo,hi,dialog //=1 will present dialog for name
363
364	SVAR USANSFolder = root:Packages:NIST:USANS:Globals:gUSANSFolder
365
366	Struct NISTXMLfile nf
367
368	String termStr="\r\n"
369	String destStr = USANSFolder+":DSM:"
370	String formatStr = "%15.6g %15.6g %15.6g %15.6g %15.6g %15.6g"+termStr
371
372	Variable refNum,integer,realval
373
374	//***these waves MUST EXIST, or IGOR Pro will crash, with a type 2 error**
375	WAVE Q_dsm =$(destStr + "Q_dsm")
376	WAVE I_dsm=$(destStr + "I_dsm")
377	WAVE S_dsm=$(destStr + "S_dsm")
378
379	//check each wave
380	If(!(WaveExists(Q_dsm)))
381	Abort "Q_dsm DNExist in WriteUSANSDesmeared()"
382	Endif
383	If(!(WaveExists(I_dsm)))
384	Abort "I_dsm DNExist in WriteUSANSDesmeared()"
385	Endif
386	If(!(WaveExists(S_dsm)))
387	Abort "S_dsm DNExist in WriteUSANSDesmeared()"
388	Endif
389
390	// 06 FEB 06 SRK
391	// make dummy waves to hold the "fake" resolution, and write it as the last 3 columns
392	//
393	Duplicate/O Q_dsm,res1,res2,res3
394	res3 = 1 // "fake" beamstop shadowing
395	res1 /= 100 //make the sigmaQ so small that there is no smearing
396
397	if(dialog)
398	Open/D refnum as fullpath+".dsmx" //won't actually open the file
399	If(cmpstr(S_filename,"")==0)
400	//user cancel, don't write out a file
401	Close/A
402	Abort "no data file was written"
403	Endif
404	fullpath = S_filename
405	Endif
406
407	//write out partial set?
408	Duplicate/O Q_dsm,tq,ti,te
409	ti=I_dsm
410	te=S_dsm
411	if( (lo!=hi) && (lo<hi))
412	redimension/N=(hi-lo+1) tq,ti,te,res1,res2,res3 //lo to hi, inclusive
413	tq=Q_dsm[p+lo]
414	ti=I_dsm[p+lo]
415	te=S_dsm[p+lo]
416	endif
417
418	//Data
419	Wave nf.Q = tq
420	nf.unitsQ = "1/A"
421	Wave nf.I = ti
422	nf.unitsI = "1/cm"
423	Wave nf.Idev = te
424	nf.unitsIdev = "1/cm"
425	Wave nf.Qdev = res1
426	nf.unitsQdev = "1/A"
427	Wave nf.Qmean = res2
428	nf.unitsQmean = "1/A"
429	Wave nf.Shadowfactor = res3
430	nf.unitsShadowfactor = "none"
431
432	//tailor the output given the type of data written out...
433	String samStr="",dateStr="",str1,str2
434
435	NVAR m = $(USANSFolder+":DSM:gPowerM") // power law exponent
436	NVAR chiFinal = $(USANSFolder+":DSM:gChi2Final") //chi^2 final
437	NVAR iter = $(USANSFolder+":DSM:gIterations") //total number of iterations
438
439	//get the number of spline passes from the wave note
440	String noteStr
441	Variable boxPass,SplinePass
442	noteStr=note(I_dsm)
443	BoxPass = NumberByKey("BOX", noteStr, "=", ";")
444	splinePass = NumberByKey("SPLINE", noteStr, "=", ";")
445
446	samStr = fullpath
447	dateStr="CREATED: "+date()+" at "+time()
448	sprintf str1,"Chi^2 = %g PowerLaw m = %4.2f Iterations = %d",chiFinal,m,iter
449	sprintf str2,"%d box smooth passes and %d smoothing spline passes",boxPass,splinePass
450
451	//AJJ to fix with sensible values
452	nf.run = "Test"
453	nf.nameSASinstrument = "BT5 USANS"
454	nf.SASnote = ""
455	//
456	nf.sample_ID = ""
457	nf.title = samstr
458	nf.radiation = "neutron"
459	nf.wavelength = 2.38
460	nf.unitswavelength = "A"
461
462	//Do something with beamstop (rw[21])
463	nf.detector_name = "BT5 DETECTOR ARRAY"
464
465	nf.SASprocessnote = samStr+"\n"
466	nf.SASprocessnote += str1+"\n"
467	nf.SASprocessnote += str2+"\n"
468	nf.SASprocessnote += datestr+"\n"
469
470
471	nf.nameSASProcess = "NIST IGOR"
472
473	//Close refnum
474
475	writeNISTXML(fullpath, nf)
476
477	SetDataFolder root: //(redundant)
478
479	KillWaves/Z res1,res2,res2,ti,te,tq
480
481	Return(0)
482	End
483
484
485	#else // if( Exists("XmlOpenFile") )
486	// No XMLutils XOP: provide dummy function so that IgorPro can compile dependent support code
487
488
489	Function WriteXMLUSANSWaves(type,fullpath,lo,hi,dialog)
490	String type,fullpath
491	Variable lo,hi,dialog //=1 will present dialog for name
492
493	Abort "XML function provided by XMLutils XOP is not available, get the XOP from : http://www.igorexchange.com/project/XMLutils (see http://www.smallangles.net/wgwiki/index.php/cansas1d_binding_IgorPro for details)"
494	return(-6)
495	end
496
497	Function WriteXMLUSANSDesmeared(type,fullpath,lo,hi,dialog)
498	String type,fullpath
499	Variable lo,hi,dialog //=1 will present dialog for name
500
501	Abort "XML function provided by XMLutils XOP is not available, get the XOP from : http://www.igorexchange.com/project/XMLutils (see http://www.smallangles.net/wgwiki/index.php/cansas1d_binding_IgorPro for details)"
502	return(-6)
503	end
504
505
506
507	#endif

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