models.hh @ 353f467

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Last change on this file since 353f467 was 13eb1c4, checked in by Jae Cho <jhjcho@…>, 15 years ago
updated sld parameters according to the changes in NIST lib: missed it in the last commit
Property mode set to `100644`
File size: 14.5 KB

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1	/**
2	This software was developed by the University of Tennessee as part of the
3	Distributed Data Analysis of Neutron Scattering Experiments (DANSE)
4	project funded by the US National Science Foundation.
5
6	If you use DANSE applications to do scientific research that leads to
7	publication, we ask that you acknowledge the use of the software with the
8	following sentence:
9
10	"This work benefited from DANSE software developed under NSF award DMR-0520547."
11
12	copyright 2008, University of Tennessee
13	*/
14	#ifndef MODEL_CLASS_H
15	#define MODEL_CLASS_H
16
17	#include <vector>
18	#include "parameters.hh"
19	extern "C" {
20	#include "cylinder.h"
21	#include "parallelepiped.h"
22	#include "lamellarPS.h"
23	#include "lamellar.h"
24	#include "fuzzysphere.h"
25	}
26
27	using namespace std;
28
29	class CylinderModel{
30	public:
31	// Model parameters
32	Parameter radius;
33	Parameter scale;
34	Parameter length;
35	Parameter sldCyl;
36	Parameter sldSolv;
37	Parameter background;
38	Parameter cyl_theta;
39	Parameter cyl_phi;
40
41	// Constructor
42	CylinderModel();
43
44	// Operators to get I(Q)
45	double operator()(double q);
46	double operator()(double qx, double qy);
47	double calculate_ER();
48	double evaluate_rphi(double q, double phi);
49	};
50
51	class ParallelepipedModel{
52	public:
53	// TODO: add 2D
54	// Model parameters
55	Parameter scale;
56	Parameter short_a;
57	Parameter short_b;
58	Parameter long_c;
59	Parameter sldPipe;
60	Parameter sldSolv;
61	Parameter background;
62	Parameter parallel_theta;
63	Parameter parallel_phi;
64	Parameter parallel_psi;
65
66	// Constructor
67	ParallelepipedModel();
68
69	// Operators to get I(Q)
70	double operator()(double q);
71	double operator()(double qx, double qy);
72	double calculate_ER();
73	double evaluate_rphi(double q, double phi);
74	};
75
76
77	class SphereModel{
78	public:
79	// Model parameters
80	Parameter radius;
81	Parameter scale;
82	Parameter sldSph;
83	Parameter sldSolv;
84	Parameter background;
85
86	// Constructor
87	SphereModel();
88
89	// Operators to get I(Q)
90	double operator()(double q);
91	double operator()(double qx, double qy);
92	double calculate_ER();
93	double evaluate_rphi(double q, double phi);
94	};
95
96	class FuzzySphereModel{
97	public:
98	// Model parameters
99	Parameter radius;
100	Parameter scale;
101	Parameter fuzziness;
102	Parameter sldSph;
103	Parameter sldSolv;
104	Parameter background;
105
106	// Constructor
107	FuzzySphereModel();
108
109	// Operators to get I(Q)
110	double operator()(double q);
111	double operator()(double qx, double qy);
112	double calculate_ER();
113	double evaluate_rphi(double q, double phi);
114	};
115
116	class HardsphereStructure{
117	public:
118	// Model parameters
119	Parameter effect_radius;
120	Parameter volfraction;
121
122	// Constructor
123	HardsphereStructure();
124
125	// Operators to get I(Q)
126	double operator()(double q);
127	double operator()(double qx, double qy);
128	double calculate_ER();
129	double evaluate_rphi(double q, double phi);
130	};
131
132	class StickyHSStructure{
133	public:
134	// Model parameters
135	Parameter effect_radius;
136	Parameter volfraction;
137	Parameter perturb;
138	Parameter stickiness;
139
140	// Constructor
141	StickyHSStructure();
142
143	// Operators to get I(Q)
144	double operator()(double q);
145	double operator()(double qx, double qy);
146	double calculate_ER();
147	double evaluate_rphi(double q, double phi);
148	};
149
150	class SquareWellStructure{
151	public:
152	// Model parameters
153	Parameter effect_radius;
154	Parameter volfraction;
155	Parameter welldepth;
156	Parameter wellwidth;
157
158	// Constructor
159	SquareWellStructure();
160
161	// Operators to get I(Q)
162	double operator()(double q);
163	double operator()(double qx, double qy);
164	double calculate_ER();
165	double evaluate_rphi(double q, double phi);
166	};
167
168	class HayterMSAStructure{
169	public:
170	// Model parameters
171	Parameter effect_radius;
172	Parameter charge;
173	Parameter volfraction;
174	Parameter temperature;
175	Parameter saltconc;
176	Parameter dielectconst;
177
178	// Constructor
179	HayterMSAStructure();
180
181	// Operators to get I(Q)
182	double operator()(double q);
183	double operator()(double qx, double qy);
184	double calculate_ER();
185	double evaluate_rphi(double q, double phi);
186	};
187
188	class DiamEllipFunc{
189	public:
190	// Model parameters
191	Parameter radius_a;
192	Parameter radius_b;
193
194	// Constructor
195	DiamEllipFunc();
196
197	// Operators to get I(Q)
198	double operator()(double q);
199	double operator()(double qx, double qy);
200	double calculate_ER();
201	double evaluate_rphi(double q, double phi);
202	};
203
204	class DiamCylFunc{
205	public:
206	// Model parameters
207	Parameter radius;
208	Parameter length;
209
210	// Constructor
211	DiamCylFunc();
212
213	// Operators to get I(Q)
214	double operator()(double q);
215	double operator()(double qx, double qy);
216	double calculate_ER();
217	double evaluate_rphi(double q, double phi);
218	};
219
220	class CoreShellModel{
221	public:
222	// Model parameters
223	Parameter radius;
224	Parameter scale;
225	Parameter thickness;
226	Parameter core_sld;
227	Parameter shell_sld;
228	Parameter solvent_sld;
229	Parameter background;
230
231	// Constructor
232	CoreShellModel();
233
234	// Operators to get I(Q)
235	double operator()(double q);
236	double operator()(double qx, double qy);
237	double calculate_ER();
238	double evaluate_rphi(double q, double phi);
239	};
240
241	class CoreFourShellModel{
242	public:
243	// Model parameters
244	Parameter scale;
245	Parameter rad_core;
246	Parameter sld_core;
247	Parameter thick_shell1;
248	Parameter sld_shell1;
249	Parameter thick_shell2;
250	Parameter sld_shell2;
251	Parameter thick_shell3;
252	Parameter sld_shell3;
253	Parameter thick_shell4;
254	Parameter sld_shell4;
255	Parameter sld_solv;
256	Parameter background;
257
258	// Constructor
259	CoreFourShellModel();
260
261	// Operators to get I(Q)
262	double operator()(double q);
263	double operator()(double qx, double qy);
264	double calculate_ER();
265	double evaluate_rphi(double q, double phi);
266	};
267
268	class CoreShellCylinderModel{
269	public:
270	// Model parameters
271	Parameter radius;
272	Parameter scale;
273	Parameter thickness;
274	Parameter length;
275	Parameter core_sld;
276	Parameter shell_sld;
277	Parameter solvent_sld;
278	Parameter background;
279	Parameter axis_theta;
280	Parameter axis_phi;
281
282	// Constructor
283	CoreShellCylinderModel();
284
285	// Operators to get I(Q)
286	double operator()(double q);
287	double operator()(double qx, double qy);
288	double calculate_ER();
289	double evaluate_rphi(double q, double phi);
290	};
291
292	class EllipsoidModel{
293	public:
294	// Model parameters
295	Parameter radius_a;
296	Parameter scale;
297	Parameter radius_b;
298	Parameter sldEll;
299	Parameter sldSolv;
300	Parameter background;
301	Parameter axis_theta;
302	Parameter axis_phi;
303
304	// Constructor
305	EllipsoidModel();
306
307	// Operators to get I(Q)
308	double operator()(double q);
309	double operator()(double qx, double qy);
310	double calculate_ER();
311	double evaluate_rphi(double q, double phi);
312	};
313
314	class EllipticalCylinderModel{
315	public:
316	// Model parameters
317	Parameter r_minor;
318	Parameter scale;
319	Parameter r_ratio;
320	Parameter length;
321	Parameter sldCyl;
322	Parameter sldSolv;
323	Parameter background;
324	Parameter cyl_theta;
325	Parameter cyl_phi;
326	Parameter cyl_psi;
327
328	// Constructor
329	EllipticalCylinderModel();
330
331	// Operators to get I(Q)
332	double operator()(double q);
333	double operator()(double qx, double qy);
334	double calculate_ER();
335	double evaluate_rphi(double q, double phi);
336	};
337	class TriaxialEllipsoidModel{
338	public:
339	// Model parameters
340	Parameter scale;
341	Parameter semi_axisA;
342	Parameter semi_axisB;
343	Parameter semi_axisC;
344	Parameter sldEll;
345	Parameter sldSolv;
346	Parameter background;
347	Parameter axis_theta;
348	Parameter axis_phi;
349	Parameter axis_psi;
350
351	// Constructor
352	TriaxialEllipsoidModel();
353
354	// Operators to get I(Q)
355	double operator()(double q);
356	double operator()(double qx, double qy);
357	double calculate_ER();
358	double evaluate_rphi(double q, double phi);
359	};
360
361	class FlexibleCylinderModel{
362	public:
363	// Model parameters
364	Parameter scale;
365	Parameter length;
366	Parameter kuhn_length;
367	Parameter radius;
368	Parameter sldCyl;
369	Parameter sldSolv;
370	Parameter background;
371
372	// Constructor
373	FlexibleCylinderModel();
374
375	// Operators to get I(Q)
376	double operator()(double q);
377	double operator()(double qx, double qy);
378	double calculate_ER();
379	double evaluate_rphi(double q, double phi);
380	};
381
382	class FlexCylEllipXModel{
383	public:
384	// Model parameters
385	Parameter scale;
386	Parameter length;
387	Parameter kuhn_length;
388	Parameter radius;
389	Parameter axis_ratio;
390	Parameter sldCyl;
391	Parameter sldSolv;
392	Parameter background;
393
394	// Constructor
395	FlexCylEllipXModel();
396
397	// Operators to get I(Q)
398	double operator()(double q);
399	double operator()(double qx, double qy);
400	double calculate_ER();
401	double evaluate_rphi(double q, double phi);
402	};
403
404	class StackedDisksModel{
405	public:
406	// Model parameters
407	Parameter scale;
408	Parameter core_thick;
409	Parameter radius;
410	Parameter layer_thick;
411	Parameter core_sld;
412	Parameter layer_sld;
413	Parameter solvent_sld;
414	Parameter n_stacking;
415	Parameter sigma_d;
416	Parameter background;
417	Parameter axis_theta;
418	Parameter axis_phi;
419
420	// Constructor
421	StackedDisksModel();
422
423	// Operators to get I(Q)
424	double operator()(double q);
425	double operator()(double qx, double qy);
426	double calculate_ER();
427	double evaluate_rphi(double q, double phi);
428	};
429
430	class LamellarModel{
431	public:
432	// Model parameters
433	Parameter scale;
434	Parameter bi_thick;
435	Parameter sld_bi;
436	Parameter sld_sol;
437	Parameter background;
438
439	// Constructor
440	LamellarModel();
441
442	// Operators to get I(Q)
443	double operator()(double q);
444	double operator()(double qx, double qy);
445	double calculate_ER();
446	double evaluate_rphi(double q, double phi);
447
448	};
449
450	class LamellarFFHGModel{
451	public:
452	// Model parameters
453	Parameter scale;
454	Parameter t_length;
455	Parameter h_thickness;
456	Parameter sld_tail;
457	Parameter sld_head;
458	Parameter sld_solvent;
459	Parameter background;
460
461	// Constructor
462	LamellarFFHGModel();
463
464	// Operators to get I(Q)
465	double operator()(double q);
466	double operator()(double qx, double qy);
467	double calculate_ER();
468	double evaluate_rphi(double q, double phi);
469
470	};
471
472
473
474	class LamellarPSModel{
475	public:
476	// Model parameters
477	Parameter scale;
478	Parameter spacing;
479	Parameter delta;
480	Parameter sld_bi;
481	Parameter sld_sol;
482	Parameter n_plates;
483	Parameter caille;
484	Parameter background;
485
486	// Constructor
487	LamellarPSModel();
488
489	// Operators to get I(Q)
490	double operator()(double q);
491	double operator()(double qx, double qy);
492	double calculate_ER();
493	double evaluate_rphi(double q, double phi);
494	};
495
496	class LamellarPSHGModel{
497	public:
498	// Model parameters
499	Parameter scale;
500	Parameter spacing;
501	Parameter deltaT;
502	Parameter deltaH;
503	Parameter sld_tail;
504	Parameter sld_head;
505	Parameter sld_solvent;
506	Parameter n_plates;
507	Parameter caille;
508	Parameter background;
509
510	// Constructor
511	LamellarPSHGModel();
512
513	// Operators to get I(Q)
514	double operator()(double q);
515	double operator()(double qx, double qy);
516	double calculate_ER();
517	double evaluate_rphi(double q, double phi);
518	};
519
520	class CoreShellEllipsoidModel{
521	public:
522	// Model parameters
523	Parameter scale;
524	Parameter equat_core;
525	Parameter polar_core;
526	Parameter equat_shell;
527	Parameter polar_shell;
528	Parameter sld_core;
529	Parameter sld_shell;
530	Parameter sld_solvent;
531	Parameter background;
532	Parameter axis_theta;
533	Parameter axis_phi;
534
535	// Constructor
536	CoreShellEllipsoidModel();
537
538	// Operators to get I(Q)
539	double operator()(double q);
540	double operator()(double qx, double qy);
541	double calculate_ER();
542	double evaluate_rphi(double q, double phi);
543	};
544
545	class HollowCylinderModel{
546	public:
547	// Model parameters
548	Parameter scale;
549	Parameter core_radius;
550	Parameter radius;
551	Parameter length;
552	Parameter sldCyl;
553	Parameter sldSolv;
554	Parameter background;
555	Parameter axis_theta;
556	Parameter axis_phi;
557
558	//Constructor
559	HollowCylinderModel();
560
561	//Operators to get I(Q)
562	double operator()(double q);
563	double operator()(double qx , double qy);
564	double calculate_ER();
565	double evaluate_rphi(double q, double phi);
566	};
567
568	class MultiShellModel{
569	public:
570	// Model parameters
571	Parameter scale;
572	Parameter core_radius;
573	Parameter s_thickness;
574	Parameter w_thickness;
575	Parameter core_sld;
576	Parameter shell_sld;
577	Parameter n_pairs;
578	Parameter background;
579
580	//Constructor
581	MultiShellModel();
582
583	//Operators to get I(Q)
584	double operator()(double q);
585	double operator()(double qx , double qy);
586	double calculate_ER();
587	double evaluate_rphi(double q, double phi);
588	};
589
590	class VesicleModel{
591	public:
592	// Model parameters
593	Parameter scale;
594	Parameter radius;
595	Parameter thickness;
596	Parameter core_sld;
597	Parameter shell_sld;
598	Parameter background;
599
600	//Constructor
601	VesicleModel();
602
603	//Operators to get I(Q)
604	double operator()(double q);
605	double operator()(double qx , double qy);
606	double calculate_ER();
607	double evaluate_rphi(double q, double phi);
608	};
609
610	class BinaryHSModel{
611	public:
612	// Model parameters
613	Parameter l_radius;
614	Parameter s_radius;
615	Parameter vol_frac_ls;
616	Parameter vol_frac_ss;
617	Parameter ls_sld;
618	Parameter ss_sld;
619	Parameter solvent_sld;
620	Parameter background;
621
622	//Constructor
623	BinaryHSModel();
624
625	//Operators to get I(Q)
626	double operator()(double q);
627	double operator()(double qx , double qy);
628	double calculate_ER();
629	double evaluate_rphi(double q, double phi);
630	};
631
632	class BinaryHSPSF11Model{
633	public:
634	// Model parameters
635	Parameter l_radius;
636	Parameter s_radius;
637	Parameter vol_frac_ls;
638	Parameter vol_frac_ss;
639	Parameter ls_sld;
640	Parameter ss_sld;
641	Parameter solvent_sld;
642	Parameter background;
643
644	//Constructor
645	BinaryHSPSF11Model();
646
647	//Operators to get I(Q)
648	double operator()(double q);
649	double operator()(double qx , double qy);
650	double calculate_ER();
651	double evaluate_rphi(double q, double phi);
652	};
653
654	class Poly_GaussCoil{
655	public:
656	// Model parameters
657	Parameter rg;
658	Parameter scale;
659	Parameter poly_m;
660	Parameter background;
661
662	// Constructor
663	Poly_GaussCoil();
664
665	// Operators to get I(Q)
666	double operator()(double q);
667	double operator()(double qx, double qy);
668	double calculate_ER();
669	double evaluate_rphi(double q, double phi);
670	};
671
672	class FractalModel{
673	public:
674	// Model parameters
675	Parameter radius;
676	Parameter scale;
677	Parameter fractal_dim;
678	Parameter cor_length;
679	Parameter sldBlock;
680	Parameter sldSolv;
681	Parameter background;
682
683	// Constructor
684	FractalModel();
685
686	// Operators to get I(Q)
687	double operator()(double q);
688	double operator()(double qx, double qy);
689	double calculate_ER();
690	double evaluate_rphi(double q, double phi);
691	};
692
693	/***
694	class PolymerExclVolModel{
695	public:
696	// Model parameters
697	Parameter rg;
698	Parameter scale;
699	Parameter m;
700	Parameter background;
701
702	// Constructor
703	PolymerExclVolModel();
704
705	// Operators to get I(Q)
706	double operator()(double q);
707	double operator()(double qx, double qy);
708	double calculate_ER();
709	double evaluate_rphi(double q, double phi);
710	};
711	***/
712	#endif

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