source: sans/Analysis/branches/ajj_23APR07/IGOR_Package_Files/Put in User Procedures/SANS_Models_v3.00/CoreShell_and_Struct.ipf @ 153

Last change on this file since 153 was 153, checked in by srkline, 15 years ago

Changed Plot* and PlotSmeared?* naming schemes to be all consistent prefixes for the actual function name, so that the macros can be constructed from the function name, or vice versa.

also some tweaks to the wrapper to make sure that plot and append really work

File size: 16.2 KB
Line 
1#pragma rtGlobals=1             // Use modern global access method.
2#pragma IgorVersion = 6.0
3
4//// include everything that is necessary
5//
6#include "CoreShell"
7
8#include "HardSphereStruct"
9#include "HPMSA"
10#include "SquareWellStruct"
11#include "StickyHardSphereStruct"
12
13Proc PlotCoreShell_HS(num,qmin,qmax)
14        Variable num=256,qmin=0.001,qmax=0.7
15        Prompt num "Enter number of data points for model: "
16        Prompt qmin "Enter minimum q-value (^-1) for model: "
17        Prompt qmax "Enter maximum q-value (^-1) for model: "
18       
19        Make/O/D/n=(num) xwave_CSS_HS,ywave_CSS_HS
20        xwave_CSS_HS =  alog(log(qmin) + x*((log(qmax)-log(qmin))/num))
21        Make/O/D coef_CSS_HS = {0.1,60,10,1e-6,2e-6,3e-6,0.0001}
22        make/o/t parameters_CSS_HS = {"volume fraction","core rad (A)","shell thickness (A)","SLD core (A-2)","SLD shell (A-2)","SLD solvent (A-2)","bkg (cm-1)"}
23        Edit/K=1 parameters_CSS_HS,coef_CSS_HS
24       
25        Variable/G root:g_CSS_HS
26        g_CSS_HS := CoreShell_HS(coef_CSS_HS,ywave_CSS_HS,xwave_CSS_HS)
27        Display/K=1 ywave_CSS_HS vs xwave_CSS_HS
28        ModifyGraph log=1,marker=29,msize=2,mode=4
29        Label bottom "q (\\S-1\\M)"
30        Label left "Intensity (cm\\S-1\\M)"
31
32        AutoPositionWindow/M=1/R=$(WinName(0,1)) $WinName(0,2)
33End
34
35// - sets up a dependency to a wrapper, not the actual SmearedModelFunction
36Proc PlotSmearedCoreShell_HS(str)                                                               
37        String str
38        Prompt str,"Pick the data folder containing the resolution you want",popup,getAList(4)
39       
40        // if any of the resolution waves are missing => abort
41        if(ResolutionWavesMissingDF(str))               //updated to NOT use global strings (in GaussUtils)
42                Abort
43        endif
44       
45        SetDataFolder $("root:"+str)
46       
47        // Setup parameter table for model function
48        Make/O/D smear_coef_CSS_HS = {0.1,60,10,1e-6,2e-6,3e-6,0.0001}
49        make/o/t smear_parameters_CSS_HS = {"volume fraction","core rad (A)","shell thickness (A)","SLD core (A-2)","SLD shell (A-2)","SLD solvent (A-2)","bkg (cm-1)"}
50        Edit smear_parameters_CSS_HS,smear_coef_CSS_HS                                 
51       
52        // output smeared intensity wave, dimensions are identical to experimental QSIG values
53        // make extra copy of experimental q-values for easy plotting
54        Duplicate/O $(str+"_q") smeared_CSS_HS,smeared_qvals                           
55        SetScale d,0,0,"1/cm",smeared_CSS_HS                                                   
56                                       
57        Variable/G gs_CSS_HS=0
58        gs_CSS_HS := fSmearedCoreShell_HS(smear_coef_CSS_HS,smeared_CSS_HS,smeared_qvals)       //this wrapper fills the STRUCT
59       
60        Display smeared_CSS_HS vs smeared_qvals                                                                 
61        ModifyGraph log=1,marker=29,msize=2,mode=4
62        Label bottom "q (\\S-1\\M)"
63        Label left "Intensity (cm\\S-1\\M)"
64
65        AutoPositionWindow/M=1/R=$(WinName(0,1)) $WinName(0,2)
66       
67        SetDataFolder root:
68End
69       
70
71Function CoreShell_HS(w,yw,xw) : FitFunc
72        Wave w,yw,xw
73       
74        Variable inten
75       
76        //setup form factor coefficient wave
77        Make/O/D/N=7 form_CSS_HS
78        form_CSS_HS[0] = 1
79        form_CSS_HS[1] = w[1]
80        form_CSS_HS[2] = w[2]
81        form_CSS_HS[3] = w[3]
82        form_CSS_HS[4] = w[4]
83        form_CSS_HS[5] = w[5]
84        form_CSS_HS[6] = 0
85       
86        //setup structure factor coefficient wave
87        Make/O/D/N=2 struct_CSS_HS
88        struct_CSS_HS[0] = w[1] + w[2]
89        struct_CSS_HS[1] = w[0]
90       
91        //calculate each and combine
92        Duplicate/O xw temp_CSS_HS_PQ,temp_CSS_HS_SQ            //make waves for the AAO
93        CoreShellSphere(form_CSS_HS,temp_CSS_HS_PQ,xw)
94        HardSphereStruct(struct_CSS_HS,temp_CSS_HS_SQ,xw)
95        yw = temp_CSS_HS_PQ * temp_CSS_HS_SQ
96        yw *= w[0]
97        yw += w[6]
98       
99        //cleanup waves
100//      Killwaves/Z form_CSS_HS,struct_CSS_HS
101       
102        return (0)
103End
104
105/////////////////////////////////////////
106Proc PlotCoreShell_SW(num,qmin,qmax)
107        Variable num=256,qmin=0.001,qmax=0.7
108        Prompt num "Enter number of data points for model: "
109        Prompt qmin "Enter minimum q-value (^-1) for model: "
110        Prompt qmax "Enter maximum q-value (^-1) for model: "
111       
112        Make/O/D/n=(num) xwave_CSS_SW,ywave_CSS_SW
113        xwave_CSS_SW =  alog(log(qmin) + x*((log(qmax)-log(qmin))/num))
114        Make/O/D coef_CSS_SW = {0.1,60,10,1e-6,2e-6,3e-6,1.0,1.2,0.0001}
115        make/o/t parameters_CSS_SW = {"volume fraction","core rad (A)","shell thickness (A)","SLD core (A-2)","SLD shell (A-2)","SLD solvent (A-2)","well depth (kT)","well width (diam.)","bkg (cm-1)"}
116        Edit/K=1 parameters_CSS_SW,coef_CSS_SW
117       
118        Variable/G root:g_CSS_SW
119        g_CSS_SW := CoreShell_SW(coef_CSS_SW,ywave_CSS_SW,xwave_CSS_SW)
120        Display/K=1 ywave_CSS_SW vs xwave_CSS_SW
121        ModifyGraph log=1,marker=29,msize=2,mode=4
122        Label bottom "q (\\S-1\\M)"
123        Label left "Intensity (cm\\S-1\\M)"
124
125        AutoPositionWindow/M=1/R=$(WinName(0,1)) $WinName(0,2)
126End
127
128// - sets up a dependency to a wrapper, not the actual SmearedModelFunction
129Proc PlotSmearedCoreShell_SW(str)                                                               
130        String str
131        Prompt str,"Pick the data folder containing the resolution you want",popup,getAList(4)
132       
133        // if any of the resolution waves are missing => abort
134        if(ResolutionWavesMissingDF(str))               //updated to NOT use global strings (in GaussUtils)
135                Abort
136        endif
137       
138        SetDataFolder $("root:"+str)
139       
140        // Setup parameter table for model function
141        Make/O/D smear_coef_CSS_SW = {0.1,60,10,1e-6,2e-6,3e-6,1.0,1.2,0.0001}
142        make/o/t smear_parameters_CSS_SW = {"volume fraction","core rad (A)","shell thickness (A)","SLD core (A-2)","SLD shell (A-2)","SLD solvent (A-2)","well depth (kT)","well width (diam.)","bkg (cm-1)"}
143        Edit smear_parameters_CSS_SW,smear_coef_CSS_SW                                 
144       
145        // output smeared intensity wave, dimensions are identical to experimental QSIG values
146        // make extra copy of experimental q-values for easy plotting
147        Duplicate/O $(str+"_q") smeared_CSS_SW,smeared_qvals                           
148        SetScale d,0,0,"1/cm",smeared_CSS_SW                                                   
149                                       
150        Variable/G gs_CSS_SW=0
151        gs_CSS_SW := fSmearedCoreShell_SW(smear_coef_CSS_SW,smeared_CSS_SW,smeared_qvals)       //this wrapper fills the STRUCT
152       
153        Display smeared_CSS_SW vs smeared_qvals                                                                 
154        ModifyGraph log=1,marker=29,msize=2,mode=4
155        Label bottom "q (\\S-1\\M)"
156        Label left "Intensity (cm\\S-1\\M)"
157
158        AutoPositionWindow/M=1/R=$(WinName(0,1)) $WinName(0,2)
159       
160        SetDataFolder root:
161End
162       
163
164Function CoreShell_SW(w,yw,xw) : FitFunc
165        Wave w,yw,xw
166       
167        Variable inten
168       
169        //setup form factor coefficient wave
170        Make/O/D/N=7 form_CSS_SW
171        form_CSS_SW[0] = 1
172        form_CSS_SW[1] = w[1]
173        form_CSS_SW[2] = w[2]
174        form_CSS_SW[3] = w[3]
175        form_CSS_SW[4] = w[4]
176        form_CSS_SW[5] = w[5]
177        form_CSS_SW[6] = 0
178       
179        //setup structure factor coefficient wave
180        Make/O/D/N=4 struct_CSS_SW
181        struct_CSS_SW[0] = w[1] + w[2]
182        struct_CSS_SW[1] = w[0]
183        struct_CSS_SW[2] = w[6]
184        struct_CSS_SW[3] = w[7]
185       
186        //calculate each and combine
187        Duplicate/O xw temp_CSS_SW_PQ,temp_CSS_SW_SQ            //make waves for the AAO
188        CoreShellSphere(form_CSS_SW,temp_CSS_SW_PQ,xw)
189        SquareWellStruct(struct_CSS_SW,temp_CSS_SW_SQ,xw)
190        yw = temp_CSS_SW_PQ * temp_CSS_SW_SQ
191        yw *= w[0]
192        yw += w[8]
193       
194        //cleanup waves
195//      Killwaves/Z form_CSS_SW,struct_CSS_SW
196       
197        return (0)
198End
199
200
201/////////////////////////////////////////
202Proc PlotCoreShell_SC(num,qmin,qmax)
203        Variable num=256,qmin=0.001,qmax=0.7
204        Prompt num "Enter number of data points for model: "
205        Prompt qmin "Enter minimum q-value (^-1) for model: "
206        Prompt qmax "Enter maximum q-value (^-1) for model: "
207       
208        if(!DataFolderExists(":HayPenMSA"))
209                NewDataFolder :HayPenMSA
210        endif
211        Make/O/D/N=17 :HayPenMSA:gMSAWave
212       
213        Make/O/D/n=(num) xwave_CSS_SC,ywave_CSS_SC
214        xwave_CSS_SC = alog(log(qmin) + x*((log(qmax)-log(qmin))/num))
215        Make/O/D coef_CSS_SC = {0.1,60,10,1e-6,2e-6,3e-6,10,0,298,78,0.0001}
216        make/o/t parameters_CSS_SC = {"volume fraction","core rad (A)","shell thickness (A)","SLD core (A-2)","SLD shell (A-2)","SLD solvent (A-2)","charge","Monovalent salt (M)","Temperature (K)","dielectric const.","bkg (cm-1)"}
217        Edit/K=1 parameters_CSS_SC,coef_CSS_SC
218       
219        Variable/G root:g_CSS_SC
220        g_CSS_SC := CoreShell_SC(coef_CSS_SC,ywave_CSS_SC,xwave_CSS_SC)
221        Display/K=1 ywave_CSS_SC vs xwave_CSS_SC
222        ModifyGraph log=1,marker=29,msize=2,mode=4
223        Label bottom "q (\\S-1\\M)"
224        Label left "Intensity (cm\\S-1\\M)"
225
226        AutoPositionWindow/M=1/R=$(WinName(0,1)) $WinName(0,2)
227End
228
229// - sets up a dependency to a wrapper, not the actual SmearedModelFunction
230Proc PlotSmearedCoreShell_SC(str)                                                               
231        String str
232        Prompt str,"Pick the data folder containing the resolution you want",popup,getAList(4)
233       
234        // if any of the resolution waves are missing => abort
235        if(ResolutionWavesMissingDF(str))               //updated to NOT use global strings (in GaussUtils)
236                Abort
237        endif
238       
239        SetDataFolder $("root:"+str)
240       
241        if(!DataFolderExists(":HayPenMSA"))
242                NewDataFolder :HayPenMSA
243        endif
244        Make/O/D/N=17 :HayPenMSA:gMSAWave
245       
246        // Setup parameter table for model function
247        Make/O/D smear_coef_CSS_SC = {0.1,60,10,1e-6,2e-6,3e-6,10,0,298,78,0.0001}
248        make/o/t smear_parameters_CSS_SC = {"volume fraction","core rad (A)","shell thickness (A)","SLD core (A-2)","SLD shell (A-2)","SLD solvent (A-2)","charge","Monovalent salt (M)","Temperature (K)","dielectric const.","bkg (cm-1)"}
249        Edit smear_parameters_CSS_SC,smear_coef_CSS_SC                                 
250       
251        // output smeared intensity wave, dimensions are identical to experimental QSIG values
252        // make extra copy of experimental q-values for easy plotting
253        Duplicate/O $(str+"_q") smeared_CSS_SC,smeared_qvals                           
254        SetScale d,0,0,"1/cm",smeared_CSS_SC                                                   
255                                       
256        Variable/G gs_CSS_SC=0
257        gs_CSS_SC := fSmearedCoreShell_SC(smear_coef_CSS_SC,smeared_CSS_SC,smeared_qvals)       //this wrapper fills the STRUCT
258       
259        Display smeared_CSS_SC vs smeared_qvals                                                                 
260        ModifyGraph log=1,marker=29,msize=2,mode=4
261        Label bottom "q (\\S-1\\M)"
262        Label left "Intensity (cm\\S-1\\M)"
263
264        AutoPositionWindow/M=1/R=$(WinName(0,1)) $WinName(0,2)
265       
266        SetDataFolder root:
267End
268       
269
270Function CoreShell_SC(w,yw,xw) : FitFunc
271        Wave w,yw,xw
272       
273        Variable inten
274       
275        //setup form factor coefficient wave
276        Make/O/D/N=7 form_CSS_SC
277        form_CSS_SC[0] = 1
278        form_CSS_SC[1] = w[1]
279        form_CSS_SC[2] = w[2]
280        form_CSS_SC[3] = w[3]
281        form_CSS_SC[4] = w[4]
282        form_CSS_SC[5] = w[5]
283        form_CSS_SC[6] = 0
284       
285        //setup structure factor coefficient wave
286        Make/O/D/N=6 struct_CSS_SC
287        struct_CSS_SC[0] = 2*(w[1]+w[2])
288        struct_CSS_SC[1] = w[6]
289        struct_CSS_SC[2] = w[0]
290        struct_CSS_SC[3] = w[8]
291        struct_CSS_SC[4] = w[7]
292        struct_CSS_SC[5] = w[9]
293       
294        //calculate each and combine
295        Duplicate/O xw temp_CSS_SC_PQ,temp_CSS_SC_SQ            //make waves for the AAO
296        CoreShellSphere(form_CSS_SC,temp_CSS_SC_PQ,xw)
297        HayterPenfoldMSA(struct_CSS_SC,temp_CSS_SC_SQ,xw)
298        yw = temp_CSS_SC_PQ * temp_CSS_SC_SQ
299        yw *= w[0]
300        yw += w[10]
301       
302        //cleanup waves
303//      Killwaves/Z form_CSS_SC,struct_CSS_SC
304       
305        return (0)
306End
307
308/////////////////////////////////////////
309Proc PlotCoreShell_SHS(num,qmin,qmax)
310        Variable num=256,qmin=0.001,qmax=0.7
311        Prompt num "Enter number of data points for model: "
312        Prompt qmin "Enter minimum q-value (^-1) for model: "
313        Prompt qmax "Enter maximum q-value (^-1) for model: "
314       
315        Make/O/D/n=(num) xwave_CSS_SHS,ywave_CSS_SHS
316        xwave_CSS_SHS =  alog(log(qmin) + x*((log(qmax)-log(qmin))/num))
317        Make/O/D coef_CSS_SHS = {0.1,60,10,1e-6,2e-6,3e-6,0.05,0.2,0.0001}
318        make/o/t parameters_CSS_SHS = {"volume fraction","core rad (A)","shell thickness (A)","SLD core (A-2)","SLD shell (A-2)","SLD solvent (A-2)","perturbation parameter (0.1)","stickiness, tau","bkg (cm-1)"}
319        Edit/K=1 parameters_CSS_SHS,coef_CSS_SHS
320       
321        Variable/G root:g_CSS_SHS
322        g_CSS_SHS := CoreShell_SHS(coef_CSS_SHS,ywave_CSS_SHS,xwave_CSS_SHS)
323        Display/K=1 ywave_CSS_SHS vs xwave_CSS_SHS
324        ModifyGraph log=1,marker=29,msize=2,mode=4
325        Label bottom "q (\\S-1\\M)"
326        Label left "Intensity (cm\\S-1\\M)"
327
328        AutoPositionWindow/M=1/R=$(WinName(0,1)) $WinName(0,2)
329End
330
331// - sets up a dependency to a wrapper, not the actual SmearedModelFunction
332Proc PlotSmearedCoreShell_SHS(str)                                                             
333        String str
334        Prompt str,"Pick the data folder containing the resolution you want",popup,getAList(4)
335       
336        // if any of the resolution waves are missing => abort
337        if(ResolutionWavesMissingDF(str))               //updated to NOT use global strings (in GaussUtils)
338                Abort
339        endif
340       
341        SetDataFolder $("root:"+str)
342       
343        // Setup parameter table for model function
344        Make/O/D smear_coef_CSS_SHS = {0.1,60,10,1e-6,2e-6,3e-6,0.05,0.2,0.0001}
345        make/o/t smear_parameters_CSS_SHS = {"volume fraction","core rad (A)","shell thickness (A)","SLD core (A-2)","SLD shell (A-2)","SLD solvent (A-2)","perturbation parameter (0.1)","stickiness, tau","bkg (cm-1)"}
346        Edit smear_parameters_CSS_SHS,smear_coef_CSS_SHS                                       
347       
348        // output smeared intensity wave, dimensions are identical to experimental QSIG values
349        // make extra copy of experimental q-values for easy plotting
350        Duplicate/O $(str+"_q") smeared_CSS_SHS,smeared_qvals                           
351        SetScale d,0,0,"1/cm",smeared_CSS_SHS                                                   
352                                       
353        Variable/G gs_CSS_SHS=0
354        gs_CSS_SHS := fSmearedCoreShell_SHS(smear_coef_CSS_SHS,smeared_CSS_SHS,smeared_qvals)   //this wrapper fills the STRUCT
355       
356        Display smeared_CSS_SHS vs smeared_qvals                                                                       
357        ModifyGraph log=1,marker=29,msize=2,mode=4
358        Label bottom "q (\\S-1\\M)"
359        Label left "Intensity (cm\\S-1\\M)"
360
361        AutoPositionWindow/M=1/R=$(WinName(0,1)) $WinName(0,2)
362       
363        SetDataFolder root:
364End
365       
366
367Function CoreShell_SHS(w,yw,xw) : FitFunc
368        Wave w,yw,xw
369       
370        Variable inten
371       
372        //setup form factor coefficient wave
373        Make/O/D/N=7 form_CSS_SHS
374        form_CSS_SHS[0] = 1
375        form_CSS_SHS[1] = w[1]
376        form_CSS_SHS[2] = w[2]
377        form_CSS_SHS[3] = w[3]
378        form_CSS_SHS[4] = w[4]
379        form_CSS_SHS[5] = w[5]
380        form_CSS_SHS[6] = 0
381       
382        //setup structure factor coefficient wave
383        Make/O/D/N=4 struct_CSS_SHS
384        struct_CSS_SHS[0] = w[1] + w[2]
385        struct_CSS_SHS[1] = w[0]
386        struct_CSS_SHS[2] = w[6]
387        struct_CSS_SHS[3] = w[7]
388       
389        //calculate each and combine
390        Duplicate/O xw temp_CSS_SHS_PQ,temp_CSS_SHS_SQ          //make waves for the AAO
391        CoreShellSphere(form_CSS_SHS,temp_CSS_SHS_PQ,xw)
392        StickyHS_Struct(struct_CSS_SHS,temp_CSS_SHS_SQ,xw)
393        yw = temp_CSS_SHS_PQ * temp_CSS_SHS_SQ
394        yw *= w[0]
395        yw += w[8]
396       
397        //cleanup waves
398//      Killwaves/Z form_CSS_SHS,struct_CSS_SHS
399       
400        return (0)
401End
402
403
404
405// this is all there is to the smeared calculation!
406Function SmearedCoreShell_HS(s) :FitFunc
407        Struct ResSmearAAOStruct &s
408
409//      the name of your unsmeared model is the first argument
410        Smear_Model_20(CoreShell_HS,s.coefW,s.xW,s.yW,s.resW)
411
412        return(0)
413End
414
415// this is all there is to the smeared calculation!
416Function SmearedCoreShell_SW(s) :FitFunc
417        Struct ResSmearAAOStruct &s
418
419//      the name of your unsmeared model is the first argument
420        Smear_Model_20(CoreShell_SW,s.coefW,s.xW,s.yW,s.resW)
421
422        return(0)
423End
424
425// this is all there is to the smeared calculation!
426Function SmearedCoreShell_SC(s) :FitFunc
427        Struct ResSmearAAOStruct &s
428
429//      the name of your unsmeared model is the first argument
430        Smear_Model_20(CoreShell_SC,s.coefW,s.xW,s.yW,s.resW)
431
432        return(0)
433End
434
435// this is all there is to the smeared calculation!
436Function SmearedCoreShell_SHS(s) :FitFunc
437        Struct ResSmearAAOStruct &s
438
439//      the name of your unsmeared model is the first argument
440        Smear_Model_20(CoreShell_SHS,s.coefW,s.xW,s.yW,s.resW)
441
442        return(0)
443End
444
445//wrapper to calculate the smeared model as an AAO-Struct
446// fills the struct and calls the ususal function with the STRUCT parameter
447//
448// used only for the dependency, not for fitting
449//
450Function fSmearedCoreShell_HS(coefW,yW,xW)
451        Wave coefW,yW,xW
452       
453        String str = getWavesDataFolder(yW,0)
454        String DF="root:"+str+":"
455       
456        WAVE resW = $(DF+str+"_res")
457       
458        STRUCT ResSmearAAOStruct fs
459        WAVE fs.coefW = coefW   
460        WAVE fs.yW = yW
461        WAVE fs.xW = xW
462        WAVE fs.resW = resW
463       
464        Variable err
465        err = SmearedCoreShell_HS(fs)
466       
467        return (0)
468End
469
470//wrapper to calculate the smeared model as an AAO-Struct
471// fills the struct and calls the ususal function with the STRUCT parameter
472//
473// used only for the dependency, not for fitting
474//
475Function fSmearedCoreShell_SW(coefW,yW,xW)
476        Wave coefW,yW,xW
477       
478        String str = getWavesDataFolder(yW,0)
479        String DF="root:"+str+":"
480       
481        WAVE resW = $(DF+str+"_res")
482       
483        STRUCT ResSmearAAOStruct fs
484        WAVE fs.coefW = coefW   
485        WAVE fs.yW = yW
486        WAVE fs.xW = xW
487        WAVE fs.resW = resW
488       
489        Variable err
490        err = SmearedCoreShell_SW(fs)
491       
492        return (0)
493End
494
495//wrapper to calculate the smeared model as an AAO-Struct
496// fills the struct and calls the ususal function with the STRUCT parameter
497//
498// used only for the dependency, not for fitting
499//
500Function fSmearedCoreShell_SC(coefW,yW,xW)
501        Wave coefW,yW,xW
502       
503        String str = getWavesDataFolder(yW,0)
504        String DF="root:"+str+":"
505       
506        WAVE resW = $(DF+str+"_res")
507       
508        STRUCT ResSmearAAOStruct fs
509        WAVE fs.coefW = coefW   
510        WAVE fs.yW = yW
511        WAVE fs.xW = xW
512        WAVE fs.resW = resW
513       
514        Variable err
515        err = SmearedCoreShell_SC(fs)
516       
517        return (0)
518End
519
520//wrapper to calculate the smeared model as an AAO-Struct
521// fills the struct and calls the ususal function with the STRUCT parameter
522//
523// used only for the dependency, not for fitting
524//
525Function fSmearedCoreShell_SHS(coefW,yW,xW)
526        Wave coefW,yW,xW
527       
528        String str = getWavesDataFolder(yW,0)
529        String DF="root:"+str+":"
530       
531        WAVE resW = $(DF+str+"_res")
532       
533        STRUCT ResSmearAAOStruct fs
534        WAVE fs.coefW = coefW   
535        WAVE fs.yW = yW
536        WAVE fs.xW = xW
537        WAVE fs.resW = resW
538       
539        Variable err
540        err = SmearedCoreShell_SHS(fs)
541       
542        return (0)
543End
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