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Cylinder_and_Struct.ipf @ 42

Last change on this file since 42 was 42, checked in by srkline, 16 years ago
initial checkin of Analysis v.3.00 files
File size: 12.6 KB

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1	#pragma rtGlobals=1 // Use modern global access method.
2
3	// be sure to include all the necessary files...
4	#include "EffectiveDiameter"
5	#include "CylinderForm"
6
7	#include "HardSphereStruct"
8	#include "HPMSA"
9	#include "SquareWellStruct"
10	#include "StickyHardSphereStruct"
11
12	Proc PlotCylinder_HS(num,qmin,qmax)
13	Variable num=128,qmin=0.001,qmax=0.7
14	Prompt num "Enter number of data points for model: "
15	Prompt qmin "Enter minimum q-value (^-1) for model: "
16	Prompt qmax "Enter maximum q-value (^-1) for model: "
17
18	Make/O/D/n=(num) xwave_CYL_HS,ywave_CYL_HS
19	xwave_CYL_HS = alog(log(qmin) + x*((log(qmax)-log(qmin))/num))
20	Make/O/D coef_CYL_HS = {0.01,20.,400,3.0e-6,0.01}
21	make/o/t parameters_CYL_HS = {"volume fraction","radius (A)","length (A)","contrast (A^-2)","incoh. bkg (cm^-1)"}
22	Edit parameters_CYL_HS,coef_CYL_HS
23	ywave_CYL_HS := Cylinder_HS(coef_CYL_HS,xwave_CYL_HS)
24	Display ywave_CYL_HS vs xwave_CYL_HS
25	ModifyGraph log=1,marker=29,msize=2,mode=4
26	Label bottom "q (\\S-1\\M)"
27	Label left "Intensity (cm\\S-1\\M)"
28
29	AutoPositionWindow/M=1/R=$(WinName(0,1)) $WinName(0,2)
30	End
31
32	Proc PlotSmearedCylinder_HS()
33	//no input parameters necessary, it MUST use the experimental q-values
34	// from the experimental data read in from an AVE/QSIG data file
35
36	// if no gQvals wave, data must not have been loaded => abort
37	if(ResolutionWavesMissing())
38	Abort
39	endif
40
41	// Setup parameter table for model function
42	Make/O/D smear_coef_CYL_HS = {0.01,20.,400,3.0e-6,0.01}
43	make/o/t smear_parameters_CYL_HS = {"volume fraction","radius (A)","length (A)","contrast (A^-2)","incoh. bkg (cm^-1)"}
44	Edit smear_parameters_CYL_HS,smear_coef_CYL_HS
45
46	// output smeared intensity wave, dimensions are identical to experimental QSIG values
47	// make extra copy of experimental q-values for easy plotting
48	Duplicate/O $gQvals smeared_CYL_HS,smeared_qvals
49	SetScale d,0,0,"1/cm",smeared_CYL_HS
50
51	smeared_CYL_HS := SmearedCylinder_HS(smear_coef_CYL_HS,$gQvals)
52	Display smeared_CYL_HS vs smeared_qvals
53	ModifyGraph log=1,marker=29,msize=2,mode=4
54	Label bottom "q (\\S-1\\M)"
55	Label left "Intensity (cm\\S-1\\M)"
56
57	AutoPositionWindow/M=1/R=$(WinName(0,1)) $WinName(0,2)
58	End
59
60	Function Cylinder_HS(w,x) : FitFunc
61	Wave w
62	Variable x
63
64	Variable inten,rad,len
65	rad=w[1]
66	len=w[2]
67
68	//setup form factor coefficient wave
69	Make/O/D/N=5 form_CYL_HS
70	form_CYL_HS[0] = 1
71	form_CYL_HS[1] = w[1]
72	form_CYL_HS[2] = w[2]
73	form_CYL_HS[3] = w[3]
74	form_CYL_HS[4] = 0
75
76	//setup structure factor coefficient wave
77	Make/O/D/N=2 struct_CYL_HS
78	struct_CYL_HS[0] = 0.5*DiamCyl(len,rad)
79	struct_CYL_HS[1] = w[0]
80
81	//calculate each and combine
82	inten = CylinderForm(form_CYL_HS,x)
83	inten *= HardSphereStruct(struct_CYL_HS,x)
84	inten *= w[0]
85	inten += w[4]
86
87	//cleanup waves (don't do this - it takes a lot of time...)
88	// Killwaves/Z form_CYL_HS,struct_CYL_HS
89
90	return (inten)
91	End
92
93	Proc PlotCylinder_SW(num,qmin,qmax)
94	Variable num=128,qmin=0.001,qmax=0.7
95	Prompt num "Enter number of data points for model: "
96	Prompt qmin "Enter minimum q-value (^-1) for model: "
97	Prompt qmax "Enter maximum q-value (^-1) for model: "
98
99	Make/O/D/n=(num) xwave_CYL_SW,ywave_CYL_SW
100	xwave_CYL_SW = alog(log(qmin) + x*((log(qmax)-log(qmin))/num))
101	Make/O/D coef_CYL_SW = {0.01,20.,400,3.0e-6,1.0,1.2,0.01}
102	make/o/t parameters_CYL_SW = {"volume fraction","radius (A)","length (A)","contrast (A^-2)","well depth (kT)","well width (diam.)","incoh. bkg (cm^-1)"}
103	Edit parameters_CYL_SW,coef_CYL_SW
104	ywave_CYL_SW := Cylinder_SW(coef_CYL_SW,xwave_CYL_SW)
105	Display ywave_CYL_SW vs xwave_CYL_SW
106	ModifyGraph log=1,marker=29,msize=2,mode=4
107	Label bottom "q (\\S-1\\M)"
108	Label left "Intensity (cm\\S-1\\M)"
109
110	AutoPositionWindow/M=1/R=$(WinName(0,1)) $WinName(0,2)
111	End
112
113	Proc PlotSmearedCylinder_SW()
114	//no input parameters necessary, it MUST use the experimental q-values
115	// from the experimental data read in from an AVE/QSIG data file
116
117	// if no gQvals wave, data must not have been loaded => abort
118	if(ResolutionWavesMissing())
119	Abort
120	endif
121
122	// Setup parameter table for model function
123	Make/O/D smear_coef_CYL_SW = {0.01,20.,400,3.0e-6,1.0,1.2,0.01}
124	make/o/t smear_parameters_CYL_SW = {"volume fraction","radius (A)","length (A)","contrast (A^-2)","well depth (kT)","well width (diam.)","incoh. bkg (cm^-1)"}
125	Edit smear_parameters_CYL_SW,smear_coef_CYL_SW
126
127	// output smeared intensity wave, dimensions are identical to experimental QSIG values
128	// make extra copy of experimental q-values for easy plotting
129	Duplicate/O $gQvals smeared_CYL_SW,smeared_qvals
130	SetScale d,0,0,"1/cm",smeared_CYL_SW
131
132	smeared_CYL_SW := SmearedCylinder_SW(smear_coef_CYL_SW,$gQvals)
133	Display smeared_CYL_SW vs smeared_qvals
134	ModifyGraph log=1,marker=29,msize=2,mode=4
135	Label bottom "q (\\S-1\\M)"
136	Label left "Intensity (cm\\S-1\\M)"
137
138	AutoPositionWindow/M=1/R=$(WinName(0,1)) $WinName(0,2)
139	End
140
141	Function Cylinder_SW(w,x) : FitFunc
142	Wave w
143	Variable x
144
145	Variable inten,rad,len
146	rad=w[1]
147	len=w[2]
148
149	//setup form factor coefficient wave
150	Make/O/D/N=5 form_CYL_SW
151	form_CYL_SW[0] = 1
152	form_CYL_SW[1] = w[1]
153	form_CYL_SW[2] = w[2]
154	form_CYL_SW[3] = w[3]
155	form_CYL_SW[4] = 0
156
157	//setup structure factor coefficient wave
158	Make/O/D/N=4 struct_CYL_SW
159	struct_CYL_SW[0] = 0.5*DiamCyl(len,rad)
160	struct_CYL_SW[1] = w[0]
161	struct_CYL_SW[2] = w[4]
162	struct_CYL_SW[3] = w[5]
163
164	//calculate each and combine
165	inten = CylinderForm(form_CYL_SW,x)
166	inten *= SquareWellStruct(struct_CYL_SW,x)
167	inten *= w[0]
168	inten += w[6]
169
170	//cleanup waves
171	// Killwaves/Z form_CYL_SW,struct_CYL_SW
172
173	return (inten)
174	End
175
176	Proc PlotCylinder_SC(num,qmin,qmax)
177	Variable num=128,qmin=0.001,qmax=0.7
178	Prompt num "Enter number of data points for model: "
179	Prompt qmin "Enter minimum q-value (^-1) for model: "
180	Prompt qmax "Enter maximum q-value (^-1) for model: "
181
182	if (DataFolderExists("root:HayPenMSA"))
183	Make/O/D/N=17 root:HayPenMSA:gMSAWave
184	else
185	NewDataFolder root:HayPenMSA
186	Make/O/D/N=17 root:HayPenMSA:gMSAWave
187	endif
188
189	Make/O/D/n=(num) xwave_CYL_SC,ywave_CYL_SC
190	xwave_CYL_SC = alog(log(qmin) + x*((log(qmax)-log(qmin))/num))
191	Make/O/D coef_CYL_SC = {0.01,20.,400,3.0e-6,20,0,298,78,0.01}
192	make/o/t parameters_CYL_SC = {"volume fraction","radius (A)","length (A)","contrast (A^-2)","charge","movalent salt(M)","Temperature (K)","dielectric const","incoh. bkg (cm^-1)"}
193	Edit parameters_CYL_SC,coef_CYL_SC
194	ywave_CYL_SC := Cylinder_SC(coef_CYL_SC,xwave_CYL_SC)
195	Display ywave_CYL_SC vs xwave_CYL_SC
196	ModifyGraph log=1,marker=29,msize=2,mode=4
197	Label bottom "q (\\S-1\\M)"
198	Label left "Intensity (cm\\S-1\\M)"
199
200	AutoPositionWindow/M=1/R=$(WinName(0,1)) $WinName(0,2)
201	End
202
203	Proc PlotSmearedCylinder_SC()
204	//no input parameters necessary, it MUST use the experimental q-values
205	// from the experimental data read in from an AVE/QSIG data file
206
207	// if no gQvals wave, data must not have been loaded => abort
208	if(ResolutionWavesMissing())
209	Abort
210	endif
211
212	if (DataFolderExists("root:HayPenMSA"))
213	Make/O/D/N=17 root:HayPenMSA:gMSAWave
214	else
215	NewDataFolder root:HayPenMSA
216	Make/O/D/N=17 root:HayPenMSA:gMSAWave
217	endif
218
219	// Setup parameter table for model function
220	Make/O/D smear_coef_CYL_SC = {0.01,20.,400,3.0e-6,20,0,298,78,0.01}
221	make/o/t smear_parameters_CYL_SC = {"volume fraction","radius (A)","length (A)","contrast (A^-2)","charge","movalent salt(M)","Temperature (K)","dielectric const","incoh. bkg (cm^-1)"}
222	Edit smear_parameters_CYL_SC,smear_coef_CYL_SC
223
224	// output smeared intensity wave, dimensions are identical to experimental QSIG values
225	// make extra copy of experimental q-values for easy plotting
226	Duplicate/O $gQvals smeared_CYL_SC,smeared_qvals
227	SetScale d,0,0,"1/cm",smeared_CYL_SC
228
229	smeared_CYL_SC := SmearedCylinder_SC(smear_coef_CYL_SC,$gQvals)
230	Display smeared_CYL_SC vs smeared_qvals
231	ModifyGraph log=1,marker=29,msize=2,mode=4
232	Label bottom "q (\\S-1\\M)"
233	Label left "Intensity (cm\\S-1\\M)"
234
235	AutoPositionWindow/M=1/R=$(WinName(0,1)) $WinName(0,2)
236	End
237
238	Function Cylinder_SC(w,x) : FitFunc
239	Wave w
240	Variable x
241
242	Variable inten,rad,len
243	rad=w[1]
244	len=w[2]
245
246	//setup form factor coefficient wave
247	Make/O/D/N=5 form_CYL_SC
248	form_CYL_SC[0] = 1
249	form_CYL_SC[1] = w[1]
250	form_CYL_SC[2] = w[2]
251	form_CYL_SC[3] = w[3]
252	form_CYL_SC[4] = 0
253
254	//setup structure factor coefficient wave
255	Make/O/D/N=6 struct_CYL_SC
256	struct_CYL_SC[0] = DiamCyl(len,rad)
257	struct_CYL_SC[1] = w[4]
258	struct_CYL_SC[2] = w[0]
259	struct_CYL_SC[3] = w[6]
260	struct_CYL_SC[4] = w[5]
261	struct_CYL_SC[5] = w[7]
262
263	//calculate each and combine
264	inten = CylinderForm(form_CYL_SC,x)
265	inten *= HayterPenfoldMSA(struct_CYL_SC,x)
266	inten *= w[0]
267	inten += w[8]
268
269	//cleanup waves
270	// Killwaves/Z form_CYL_SC,struct_CYL_SC
271
272	return (inten)
273	End
274
275
276	Proc PlotCylinder_SHS(num,qmin,qmax)
277	Variable num=128,qmin=0.001,qmax=0.7
278	Prompt num "Enter number of data points for model: "
279	Prompt qmin "Enter minimum q-value (^-1) for model: "
280	Prompt qmax "Enter maximum q-value (^-1) for model: "
281
282	Make/O/D/n=(num) xwave_CYL_SHS,ywave_CYL_SHS
283	xwave_CYL_SHS = alog(log(qmin) + x*((log(qmax)-log(qmin))/num))
284	Make/O/D coef_CYL_SHS = {0.01,20.0,400,3.0e-6,0.05,0.2,0.01}
285	make/o/t parameters_CYL_SHS = {"volume fraction","radius (A)","length (A)","contrast (A^-2)","perturbation parameter (0.1)","stickiness, tau","incoh. bkg (cm^-1)"}
286	Edit parameters_CYL_SHS,coef_CYL_SHS
287	ywave_CYL_SHS := Cylinder_SHS(coef_CYL_SHS,xwave_CYL_SHS)
288	Display ywave_CYL_SHS vs xwave_CYL_SHS
289	ModifyGraph log=1,marker=29,msize=2,mode=4
290	Label bottom "q (\\S-1\\M)"
291	Label left "Intensity (cm\\S-1\\M)"
292
293	AutoPositionWindow/M=1/R=$(WinName(0,1)) $WinName(0,2)
294	End
295
296	Proc PlotSmearedCylinder_SHS()
297	//no input parameters necessary, it MUST use the experimental q-values
298	// from the experimental data read in from an AVE/QSIG data file
299
300	// if no gQvals wave, data must not have been loaded => abort
301	if(ResolutionWavesMissing())
302	Abort
303	endif
304
305	// Setup parameter table for model function
306	Make/O/D smear_coef_CYL_SHS = {0.01,20.0,400,3.0e-6,0.05,0.2,0.01}
307	make/o/t smear_parameters_CYL_SHS = {"volume fraction","radius (A)","length (A)","contrast (A^-2)","perturbation parameter (0.1)","stickiness, tau","incoh. bkg (cm^-1)"}
308	Edit smear_parameters_CYL_SHS,smear_coef_CYL_SHS
309
310	// output smeared intensity wave, dimensions are identical to experimental QSIG values
311	// make extra copy of experimental q-values for easy plotting
312	Duplicate/O $gQvals smeared_CYL_SHS,smeared_qvals
313	SetScale d,0,0,"1/cm",smeared_CYL_SHS
314
315	smeared_CYL_SHS := SmearedCylinder_SHS(smear_coef_CYL_SHS,$gQvals)
316	Display smeared_CYL_SHS vs smeared_qvals
317	ModifyGraph log=1,marker=29,msize=2,mode=4
318	Label bottom "q (\\S-1\\M)"
319	Label left "Intensity (cm\\S-1\\M)"
320
321	AutoPositionWindow/M=1/R=$(WinName(0,1)) $WinName(0,2)
322	End
323
324	Function Cylinder_SHS(w,x) : FitFunc
325	Wave w
326	Variable x
327
328	Variable inten,rad,len
329	rad=w[1]
330	len=w[2]
331
332	//setup form factor coefficient wave
333	Make/O/D/N=5 form_CYL_SHS
334	form_CYL_SHS[0] = 1
335	form_CYL_SHS[1] = w[1]
336	form_CYL_SHS[2] = w[2]
337	form_CYL_SHS[3] = w[3]
338	form_CYL_SHS[4] = 0
339
340	//setup structure factor coefficient wave
341	Make/O/D/N=4 struct_CYL_SHS
342	struct_CYL_SHS[0] = 0.5*DiamCyl(len,rad)
343	struct_CYL_SHS[1] = w[0]
344	struct_CYL_SHS[2] = w[4]
345	struct_CYL_SHS[3] = w[5]
346
347	//calculate each and combine
348	inten = CylinderForm(form_CYL_SHS,x)
349	inten *= StickyHS_Struct(struct_CYL_SHS,x)
350	inten *= w[0]
351	inten += w[6]
352
353	//cleanup waves
354	// Killwaves/Z form_CYL_SHS,struct_CYL_SHS
355
356	return (inten)
357	End
358
359
360
361	// this is all there is to the smeared calculation!
362	Function SmearedCylinder_HS(w,x) :FitFunc
363	Wave w
364	Variable x
365
366	Variable ans
367	SVAR sq = gSig_Q
368	SVAR qb = gQ_bar
369	SVAR sh = gShadow
370	SVAR gQ = gQVals
371
372	//the name of your unsmeared model is the first argument
373	ans = Smear_Model_20(Cylinder_HS,$sq,$qb,$sh,$gQ,w,x)
374
375	return(ans)
376	End
377
378	// this is all there is to the smeared calculation!
379	Function SmearedCylinder_SW(w,x) :FitFunc
380	Wave w
381	Variable x
382
383	Variable ans
384	SVAR sq = gSig_Q
385	SVAR qb = gQ_bar
386	SVAR sh = gShadow
387	SVAR gQ = gQVals
388
389	//the name of your unsmeared model is the first argument
390	ans = Smear_Model_20(Cylinder_SW,$sq,$qb,$sh,$gQ,w,x)
391
392	return(ans)
393	End
394
395	// this is all there is to the smeared calculation!
396	Function SmearedCylinder_SC(w,x) :FitFunc
397	Wave w
398	Variable x
399
400	Variable ans
401	SVAR sq = gSig_Q
402	SVAR qb = gQ_bar
403	SVAR sh = gShadow
404	SVAR gQ = gQVals
405
406	//the name of your unsmeared model is the first argument
407	ans = Smear_Model_20(Cylinder_SC,$sq,$qb,$sh,$gQ,w,x)
408
409	return(ans)
410	End
411
412	// this is all there is to the smeared calculation!
413	Function SmearedCylinder_SHS(w,x) :FitFunc
414	Wave w
415	Variable x
416
417	Variable ans
418	SVAR sq = gSig_Q
419	SVAR qb = gQ_bar
420	SVAR sh = gShadow
421	SVAR gQ = gQVals
422
423	//the name of your unsmeared model is the first argument
424	ans = Smear_Model_20(Cylinder_SHS,$sq,$qb,$sh,$gQ,w,x)
425
426	return(ans)
427	End

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