models.hh @ ec658c85

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Last change on this file since ec658c85 was c724ccd, checked in by Jae Cho <jhjcho@…>, 15 years ago
More models added and correction of Wrappergenerator on model parameter value precision
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	#include "polyexclvol.h"
26	}
27
28	using namespace std;
29
30	class CylinderModel{
31	public:
32	// Model parameters
33	Parameter radius;
34	Parameter scale;
35	Parameter length;
36	Parameter sldCyl;
37	Parameter sldSolv;
38	Parameter background;
39	Parameter cyl_theta;
40	Parameter cyl_phi;
41
42	// Constructor
43	CylinderModel();
44
45	// Operators to get I(Q)
46	double operator()(double q);
47	double operator()(double qx, double qy);
48	double calculate_ER();
49	double evaluate_rphi(double q, double phi);
50	};
51
52	class ParallelepipedModel{
53	public:
54	// TODO: add 2D
55	// Model parameters
56	Parameter scale;
57	Parameter short_a;
58	Parameter short_b;
59	Parameter long_c;
60	Parameter sldPipe;
61	Parameter sldSolv;
62	Parameter background;
63	Parameter parallel_theta;
64	Parameter parallel_phi;
65	Parameter parallel_psi;
66
67	// Constructor
68	ParallelepipedModel();
69
70	// Operators to get I(Q)
71	double operator()(double q);
72	double operator()(double qx, double qy);
73	double calculate_ER();
74	double evaluate_rphi(double q, double phi);
75	};
76
77
78	class SphereModel{
79	public:
80	// Model parameters
81	Parameter radius;
82	Parameter scale;
83	Parameter sldSph;
84	Parameter sldSolv;
85	Parameter background;
86
87	// Constructor
88	SphereModel();
89
90	// Operators to get I(Q)
91	double operator()(double q);
92	double operator()(double qx, double qy);
93	double calculate_ER();
94	double evaluate_rphi(double q, double phi);
95	};
96
97	class FuzzySphereModel{
98	public:
99	// Model parameters
100	Parameter radius;
101	Parameter scale;
102	Parameter fuzziness;
103	Parameter sldSph;
104	Parameter sldSolv;
105	Parameter background;
106
107	// Constructor
108	FuzzySphereModel();
109
110	// Operators to get I(Q)
111	double operator()(double q);
112	double operator()(double qx, double qy);
113	double calculate_ER();
114	double evaluate_rphi(double q, double phi);
115	};
116
117	class HardsphereStructure{
118	public:
119	// Model parameters
120	Parameter effect_radius;
121	Parameter volfraction;
122
123	// Constructor
124	HardsphereStructure();
125
126	// Operators to get I(Q)
127	double operator()(double q);
128	double operator()(double qx, double qy);
129	double calculate_ER();
130	double evaluate_rphi(double q, double phi);
131	};
132
133	class StickyHSStructure{
134	public:
135	// Model parameters
136	Parameter effect_radius;
137	Parameter volfraction;
138	Parameter perturb;
139	Parameter stickiness;
140
141	// Constructor
142	StickyHSStructure();
143
144	// Operators to get I(Q)
145	double operator()(double q);
146	double operator()(double qx, double qy);
147	double calculate_ER();
148	double evaluate_rphi(double q, double phi);
149	};
150
151	class SquareWellStructure{
152	public:
153	// Model parameters
154	Parameter effect_radius;
155	Parameter volfraction;
156	Parameter welldepth;
157	Parameter wellwidth;
158
159	// Constructor
160	SquareWellStructure();
161
162	// Operators to get I(Q)
163	double operator()(double q);
164	double operator()(double qx, double qy);
165	double calculate_ER();
166	double evaluate_rphi(double q, double phi);
167	};
168
169	class HayterMSAStructure{
170	public:
171	// Model parameters
172	Parameter effect_radius;
173	Parameter charge;
174	Parameter volfraction;
175	Parameter temperature;
176	Parameter saltconc;
177	Parameter dielectconst;
178
179	// Constructor
180	HayterMSAStructure();
181
182	// Operators to get I(Q)
183	double operator()(double q);
184	double operator()(double qx, double qy);
185	double calculate_ER();
186	double evaluate_rphi(double q, double phi);
187	};
188
189	class DiamEllipFunc{
190	public:
191	// Model parameters
192	Parameter radius_a;
193	Parameter radius_b;
194
195	// Constructor
196	DiamEllipFunc();
197
198	// Operators to get I(Q)
199	double operator()(double q);
200	double operator()(double qx, double qy);
201	double calculate_ER();
202	double evaluate_rphi(double q, double phi);
203	};
204
205	class DiamCylFunc{
206	public:
207	// Model parameters
208	Parameter radius;
209	Parameter length;
210
211	// Constructor
212	DiamCylFunc();
213
214	// Operators to get I(Q)
215	double operator()(double q);
216	double operator()(double qx, double qy);
217	double calculate_ER();
218	double evaluate_rphi(double q, double phi);
219	};
220
221	class CoreShellModel{
222	public:
223	// Model parameters
224	Parameter radius;
225	Parameter scale;
226	Parameter thickness;
227	Parameter core_sld;
228	Parameter shell_sld;
229	Parameter solvent_sld;
230	Parameter background;
231
232	// Constructor
233	CoreShellModel();
234
235	// Operators to get I(Q)
236	double operator()(double q);
237	double operator()(double qx, double qy);
238	double calculate_ER();
239	double evaluate_rphi(double q, double phi);
240	};
241
242	class CoreFourShellModel{
243	public:
244	// Model parameters
245	Parameter scale;
246	Parameter rad_core;
247	Parameter sld_core;
248	Parameter thick_shell1;
249	Parameter sld_shell1;
250	Parameter thick_shell2;
251	Parameter sld_shell2;
252	Parameter thick_shell3;
253	Parameter sld_shell3;
254	Parameter thick_shell4;
255	Parameter sld_shell4;
256	Parameter sld_solv;
257	Parameter background;
258
259	// Constructor
260	CoreFourShellModel();
261
262	// Operators to get I(Q)
263	double operator()(double q);
264	double operator()(double qx, double qy);
265	double calculate_ER();
266	double evaluate_rphi(double q, double phi);
267	};
268
269	class CoreShellCylinderModel{
270	public:
271	// Model parameters
272	Parameter radius;
273	Parameter scale;
274	Parameter thickness;
275	Parameter length;
276	Parameter core_sld;
277	Parameter shell_sld;
278	Parameter solvent_sld;
279	Parameter background;
280	Parameter axis_theta;
281	Parameter axis_phi;
282
283	// Constructor
284	CoreShellCylinderModel();
285
286	// Operators to get I(Q)
287	double operator()(double q);
288	double operator()(double qx, double qy);
289	double calculate_ER();
290	double evaluate_rphi(double q, double phi);
291	};
292
293	class EllipsoidModel{
294	public:
295	// Model parameters
296	Parameter radius_a;
297	Parameter scale;
298	Parameter radius_b;
299	Parameter sldEll;
300	Parameter sldSolv;
301	Parameter background;
302	Parameter axis_theta;
303	Parameter axis_phi;
304
305	// Constructor
306	EllipsoidModel();
307
308	// Operators to get I(Q)
309	double operator()(double q);
310	double operator()(double qx, double qy);
311	double calculate_ER();
312	double evaluate_rphi(double q, double phi);
313	};
314
315	class EllipticalCylinderModel{
316	public:
317	// Model parameters
318	Parameter r_minor;
319	Parameter scale;
320	Parameter r_ratio;
321	Parameter length;
322	Parameter sldCyl;
323	Parameter sldSolv;
324	Parameter background;
325	Parameter cyl_theta;
326	Parameter cyl_phi;
327	Parameter cyl_psi;
328
329	// Constructor
330	EllipticalCylinderModel();
331
332	// Operators to get I(Q)
333	double operator()(double q);
334	double operator()(double qx, double qy);
335	double calculate_ER();
336	double evaluate_rphi(double q, double phi);
337	};
338	class TriaxialEllipsoidModel{
339	public:
340	// Model parameters
341	Parameter scale;
342	Parameter semi_axisA;
343	Parameter semi_axisB;
344	Parameter semi_axisC;
345	Parameter contrast;
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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