source: sans/Analysis/branches/ajj_23APR07/IGOR_Package_Files/Put in User Procedures/SANS_Models_v3.00/CoreShell_and_Struct.ipf @ 131

Last change on this file since 131 was 131, checked in by srkline, 15 years ago

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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        CoreShellForm(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        CoreShellForm(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        CoreShellForm(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        CoreShellForm(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        s.yW = Smear_Model_20(CoreShell_HS,s.coefW,s.xW,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        s.yW = Smear_Model_20(CoreShell_SW,s.coefW,s.xW,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        s.yW = Smear_Model_20(CoreShell_SC,s.coefW,s.xW,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        s.yW = Smear_Model_20(CoreShell_SHS,s.coefW,s.xW,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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