models.hh @ 37805e9

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Last change on this file since 37805e9 was 37805e9, checked in by Mathieu Doucet <doucetm@…>, 13 years ago
spheresld refactor
Property mode set to `100644`
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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
30
31
32
33
34	class SCCrystalModel{
35	public:
36	// Model parameters
37	Parameter scale;
38	Parameter dnn;
39	Parameter d_factor;
40	Parameter radius;
41	Parameter sldSph;
42	Parameter sldSolv;
43	Parameter background;
44	Parameter theta;
45	Parameter phi;
46	Parameter psi;
47
48	// Constructor
49	SCCrystalModel();
50
51	// Operators to get I(Q)
52	double operator()(double q);
53	double operator()(double qx, double qy);
54	double calculate_ER();
55	double evaluate_rphi(double q, double phi);
56	};
57
58
59	class PearlNecklaceModel{
60	public:
61	// Model parameters
62	Parameter scale;
63	Parameter radius;
64	Parameter edge_separation;
65	Parameter thick_string;
66	Parameter num_pearls;
67	Parameter sld_pearl;
68	Parameter sld_string;
69	Parameter sld_solv;
70	Parameter background;
71
72	// Constructor
73	PearlNecklaceModel();
74
75	// Operators to get I(Q)
76	double operator()(double q);
77	double operator()(double qx, double qy);
78	double calculate_ER();
79	double evaluate_rphi(double q, double phi);
80	};
81
82	class FCCrystalModel{
83	public:
84	// Model parameters
85	Parameter scale;
86	Parameter dnn;
87	Parameter d_factor;
88	Parameter radius;
89	Parameter sldSph;
90	Parameter sldSolv;
91	Parameter background;
92	Parameter theta;
93	Parameter phi;
94	Parameter psi;
95
96	// Constructor
97	FCCrystalModel();
98
99	// Operators to get I(Q)
100	double operator()(double q);
101	double operator()(double qx, double qy);
102	double calculate_ER();
103	double evaluate_rphi(double q, double phi);
104	};
105
106
107	class BCCrystalModel{
108	public:
109	// Model parameters
110	Parameter scale;
111	Parameter dnn;
112	Parameter d_factor;
113	Parameter radius;
114	Parameter sldSph;
115	Parameter sldSolv;
116	Parameter background;
117	Parameter theta;
118	Parameter phi;
119	Parameter psi;
120
121	// Constructor
122	BCCrystalModel();
123
124	// Operators to get I(Q)
125	double operator()(double q);
126	double operator()(double qx, double qy);
127	double calculate_ER();
128	double evaluate_rphi(double q, double phi);
129	};
130
131
132	class FuzzySphereModel{
133	public:
134	// Model parameters
135	Parameter radius;
136	Parameter scale;
137	Parameter fuzziness;
138	Parameter sldSph;
139	Parameter sldSolv;
140	Parameter background;
141
142	// Constructor
143	FuzzySphereModel();
144
145	// Operators to get I(Q)
146	double operator()(double q);
147	double operator()(double qx, double qy);
148	double calculate_ER();
149	double evaluate_rphi(double q, double phi);
150	};
151
152	class HardsphereStructure{
153	public:
154	// Model parameters
155	Parameter effect_radius;
156	Parameter volfraction;
157
158	// Constructor
159	HardsphereStructure();
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 StickyHSStructure{
169	public:
170	// Model parameters
171	Parameter effect_radius;
172	Parameter volfraction;
173	Parameter perturb;
174	Parameter stickiness;
175
176	// Constructor
177	StickyHSStructure();
178
179	// Operators to get I(Q)
180	double operator()(double q);
181	double operator()(double qx, double qy);
182	double calculate_ER();
183	double evaluate_rphi(double q, double phi);
184	};
185
186	class SquareWellStructure{
187	public:
188	// Model parameters
189	Parameter effect_radius;
190	Parameter volfraction;
191	Parameter welldepth;
192	Parameter wellwidth;
193
194	// Constructor
195	SquareWellStructure();
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 HayterMSAStructure{
205	public:
206	// Model parameters
207	Parameter effect_radius;
208	Parameter charge;
209	Parameter volfraction;
210	Parameter temperature;
211	Parameter saltconc;
212	Parameter dielectconst;
213
214	// Constructor
215	HayterMSAStructure();
216
217	// Operators to get I(Q)
218	double operator()(double q);
219	double operator()(double qx, double qy);
220	double calculate_ER();
221	double evaluate_rphi(double q, double phi);
222	};
223
224	class DiamEllipFunc{
225	public:
226	// Model parameters
227	Parameter radius_a;
228	Parameter radius_b;
229
230	// Constructor
231	DiamEllipFunc();
232
233	// Operators to get I(Q)
234	double operator()(double q);
235	double operator()(double qx, double qy);
236	double calculate_ER();
237	double evaluate_rphi(double q, double phi);
238	};
239
240	class DiamCylFunc{
241	public:
242	// Model parameters
243	Parameter radius;
244	Parameter length;
245
246	// Constructor
247	DiamCylFunc();
248
249	// Operators to get I(Q)
250	double operator()(double q);
251	double operator()(double qx, double qy);
252	double calculate_ER();
253	double evaluate_rphi(double q, double phi);
254	};
255
256
257	class SLDCalFunc{
258	public:
259	// Model parameters
260	Parameter fun_type;
261	Parameter npts_inter;
262	Parameter shell_num;
263	Parameter nu_inter;
264	Parameter sld_left;
265	Parameter sld_right;
266
267	// Constructor
268	SLDCalFunc();
269
270	// Operators to get SLD
271	double operator()(double q);
272	double operator()(double qx, double qy);
273	double calculate_ER();
274	double evaluate_rphi(double q, double phi);
275	};
276
277
278	class CoreShellModel{
279	public:
280	// Model parameters
281	Parameter radius;
282	Parameter scale;
283	Parameter thickness;
284	Parameter core_sld;
285	Parameter shell_sld;
286	Parameter solvent_sld;
287	Parameter background;
288
289	// Constructor
290	CoreShellModel();
291
292	// Operators to get I(Q)
293	double operator()(double q);
294	double operator()(double qx, double qy);
295	double calculate_ER();
296	double evaluate_rphi(double q, double phi);
297	};
298
299	class CoreFourShellModel{
300	public:
301	// Model parameters
302	Parameter scale;
303	Parameter rad_core0;
304	Parameter sld_core0;
305	Parameter thick_shell1;
306	Parameter sld_shell1;
307	Parameter thick_shell2;
308	Parameter sld_shell2;
309	Parameter thick_shell3;
310	Parameter sld_shell3;
311	Parameter thick_shell4;
312	Parameter sld_shell4;
313	Parameter sld_solv;
314	Parameter background;
315
316	// Constructor
317	CoreFourShellModel();
318
319	// Operators to get I(Q)
320	double operator()(double q);
321	double operator()(double qx, double qy);
322	double calculate_ER();
323	double evaluate_rphi(double q, double phi);
324	};
325
326	class CoreShellCylinderModel{
327	public:
328	// Model parameters
329	Parameter radius;
330	Parameter scale;
331	Parameter thickness;
332	Parameter length;
333	Parameter core_sld;
334	Parameter shell_sld;
335	Parameter solvent_sld;
336	Parameter background;
337	Parameter axis_theta;
338	Parameter axis_phi;
339
340	// Constructor
341	CoreShellCylinderModel();
342
343	// Operators to get I(Q)
344	double operator()(double q);
345	double operator()(double qx, double qy);
346	double calculate_ER();
347	double evaluate_rphi(double q, double phi);
348	};
349
350	class EllipsoidModel{
351	public:
352	// Model parameters
353	Parameter radius_a;
354	Parameter scale;
355	Parameter radius_b;
356	Parameter sldEll;
357	Parameter sldSolv;
358	Parameter background;
359	Parameter axis_theta;
360	Parameter axis_phi;
361
362	// Constructor
363	EllipsoidModel();
364
365	// Operators to get I(Q)
366	double operator()(double q);
367	double operator()(double qx, double qy);
368	double calculate_ER();
369	double evaluate_rphi(double q, double phi);
370	};
371
372	class EllipticalCylinderModel{
373	public:
374	// Model parameters
375	Parameter r_minor;
376	Parameter scale;
377	Parameter r_ratio;
378	Parameter length;
379	Parameter sldCyl;
380	Parameter sldSolv;
381	Parameter background;
382	Parameter cyl_theta;
383	Parameter cyl_phi;
384	Parameter cyl_psi;
385
386	// Constructor
387	EllipticalCylinderModel();
388
389	// Operators to get I(Q)
390	double operator()(double q);
391	double operator()(double qx, double qy);
392	double calculate_ER();
393	double evaluate_rphi(double q, double phi);
394	};
395	class TriaxialEllipsoidModel{
396	public:
397	// Model parameters
398	Parameter scale;
399	Parameter semi_axisA;
400	Parameter semi_axisB;
401	Parameter semi_axisC;
402	Parameter sldEll;
403	Parameter sldSolv;
404	Parameter background;
405	Parameter axis_theta;
406	Parameter axis_phi;
407	Parameter axis_psi;
408
409	// Constructor
410	TriaxialEllipsoidModel();
411
412	// Operators to get I(Q)
413	double operator()(double q);
414	double operator()(double qx, double qy);
415	double calculate_ER();
416	double evaluate_rphi(double q, double phi);
417	};
418
419	class FlexibleCylinderModel{
420	public:
421	// Model parameters
422	Parameter scale;
423	Parameter length;
424	Parameter kuhn_length;
425	Parameter radius;
426	Parameter sldCyl;
427	Parameter sldSolv;
428	Parameter background;
429
430	// Constructor
431	FlexibleCylinderModel();
432
433	// Operators to get I(Q)
434	double operator()(double q);
435	double operator()(double qx, double qy);
436	double calculate_ER();
437	double evaluate_rphi(double q, double phi);
438	};
439
440	class FlexCylEllipXModel{
441	public:
442	// Model parameters
443	Parameter scale;
444	Parameter length;
445	Parameter kuhn_length;
446	Parameter radius;
447	Parameter axis_ratio;
448	Parameter sldCyl;
449	Parameter sldSolv;
450	Parameter background;
451
452	// Constructor
453	FlexCylEllipXModel();
454
455	// Operators to get I(Q)
456	double operator()(double q);
457	double operator()(double qx, double qy);
458	double calculate_ER();
459	double evaluate_rphi(double q, double phi);
460	};
461
462	class StackedDisksModel{
463	public:
464	// Model parameters
465	Parameter scale;
466	Parameter core_thick;
467	Parameter radius;
468	Parameter layer_thick;
469	Parameter core_sld;
470	Parameter layer_sld;
471	Parameter solvent_sld;
472	Parameter n_stacking;
473	Parameter sigma_d;
474	Parameter background;
475	Parameter axis_theta;
476	Parameter axis_phi;
477
478	// Constructor
479	StackedDisksModel();
480
481	// Operators to get I(Q)
482	double operator()(double q);
483	double operator()(double qx, double qy);
484	double calculate_ER();
485	double evaluate_rphi(double q, double phi);
486	};
487
488	class LamellarModel{
489	public:
490	// Model parameters
491	Parameter scale;
492	Parameter bi_thick;
493	Parameter sld_bi;
494	Parameter sld_sol;
495	Parameter background;
496
497	// Constructor
498	LamellarModel();
499
500	// Operators to get I(Q)
501	double operator()(double q);
502	double operator()(double qx, double qy);
503	double calculate_ER();
504	double evaluate_rphi(double q, double phi);
505
506	};
507
508	class LamellarFFHGModel{
509	public:
510	// Model parameters
511	Parameter scale;
512	Parameter t_length;
513	Parameter h_thickness;
514	Parameter sld_tail;
515	Parameter sld_head;
516	Parameter sld_solvent;
517	Parameter background;
518
519	// Constructor
520	LamellarFFHGModel();
521
522	// Operators to get I(Q)
523	double operator()(double q);
524	double operator()(double qx, double qy);
525	double calculate_ER();
526	double evaluate_rphi(double q, double phi);
527
528	};
529
530
531
532	class LamellarPSModel{
533	public:
534	// Model parameters
535	Parameter scale;
536	Parameter spacing;
537	Parameter delta;
538	Parameter sld_bi;
539	Parameter sld_sol;
540	Parameter n_plates;
541	Parameter caille;
542	Parameter background;
543
544	// Constructor
545	LamellarPSModel();
546
547	// Operators to get I(Q)
548	double operator()(double q);
549	double operator()(double qx, double qy);
550	double calculate_ER();
551	double evaluate_rphi(double q, double phi);
552	};
553
554	class LamellarPSHGModel{
555	public:
556	// Model parameters
557	Parameter scale;
558	Parameter spacing;
559	Parameter deltaT;
560	Parameter deltaH;
561	Parameter sld_tail;
562	Parameter sld_head;
563	Parameter sld_solvent;
564	Parameter n_plates;
565	Parameter caille;
566	Parameter background;
567
568	// Constructor
569	LamellarPSHGModel();
570
571	// Operators to get I(Q)
572	double operator()(double q);
573	double operator()(double qx, double qy);
574	double calculate_ER();
575	double evaluate_rphi(double q, double phi);
576	};
577
578
579	class LamellarPCrystalModel{
580	public:
581	// Model parameters
582	Parameter scale;
583	Parameter thickness;
584	Parameter Nlayers;
585	Parameter spacing;
586	Parameter pd_spacing;
587	Parameter sld_layer;
588	Parameter sld_solvent;
589	Parameter background;
590
591	// Constructor
592	LamellarPCrystalModel();
593
594	// Operators to get I(Q)
595	double operator()(double q);
596	double operator()(double qx, double qy);
597	double calculate_ER();
598	double evaluate_rphi(double q, double phi);
599	};
600
601	class CoreShellEllipsoidModel{
602	public:
603	// Model parameters
604	Parameter scale;
605	Parameter equat_core;
606	Parameter polar_core;
607	Parameter equat_shell;
608	Parameter polar_shell;
609	Parameter sld_core;
610	Parameter sld_shell;
611	Parameter sld_solvent;
612	Parameter background;
613	Parameter axis_theta;
614	Parameter axis_phi;
615
616	// Constructor
617	CoreShellEllipsoidModel();
618
619	// Operators to get I(Q)
620	double operator()(double q);
621	double operator()(double qx, double qy);
622	double calculate_ER();
623	double evaluate_rphi(double q, double phi);
624	};
625
626	class HollowCylinderModel{
627	public:
628	// Model parameters
629	Parameter scale;
630	Parameter core_radius;
631	Parameter radius;
632	Parameter length;
633	Parameter sldCyl;
634	Parameter sldSolv;
635	Parameter background;
636	Parameter axis_theta;
637	Parameter axis_phi;
638
639	//Constructor
640	HollowCylinderModel();
641
642	//Operators to get I(Q)
643	double operator()(double q);
644	double operator()(double qx , double qy);
645	double calculate_ER();
646	double evaluate_rphi(double q, double phi);
647	};
648
649	class MultiShellModel{
650	public:
651	// Model parameters
652	Parameter scale;
653	Parameter core_radius;
654	Parameter s_thickness;
655	Parameter w_thickness;
656	Parameter core_sld;
657	Parameter shell_sld;
658	Parameter n_pairs;
659	Parameter background;
660
661	//Constructor
662	MultiShellModel();
663
664	//Operators to get I(Q)
665	double operator()(double q);
666	double operator()(double qx , double qy);
667	double calculate_ER();
668	double evaluate_rphi(double q, double phi);
669	};
670
671	class VesicleModel{
672	public:
673	// Model parameters
674	Parameter scale;
675	Parameter radius;
676	Parameter thickness;
677	Parameter core_sld;
678	Parameter shell_sld;
679	Parameter background;
680
681	//Constructor
682	VesicleModel();
683
684	//Operators to get I(Q)
685	double operator()(double q);
686	double operator()(double qx , double qy);
687	double calculate_ER();
688	double evaluate_rphi(double q, double phi);
689	};
690
691	class BinaryHSModel{
692	public:
693	// Model parameters
694	Parameter l_radius;
695	Parameter s_radius;
696	Parameter vol_frac_ls;
697	Parameter vol_frac_ss;
698	Parameter ls_sld;
699	Parameter ss_sld;
700	Parameter solvent_sld;
701	Parameter background;
702
703	//Constructor
704	BinaryHSModel();
705
706	//Operators to get I(Q)
707	double operator()(double q);
708	double operator()(double qx , double qy);
709	double calculate_ER();
710	double evaluate_rphi(double q, double phi);
711	};
712
713	class BinaryHSPSF11Model{
714	public:
715	// Model parameters
716	Parameter l_radius;
717	Parameter s_radius;
718	Parameter vol_frac_ls;
719	Parameter vol_frac_ss;
720	Parameter ls_sld;
721	Parameter ss_sld;
722	Parameter solvent_sld;
723	Parameter background;
724
725	//Constructor
726	BinaryHSPSF11Model();
727
728	//Operators to get I(Q)
729	double operator()(double q);
730	double operator()(double qx , double qy);
731	double calculate_ER();
732	double evaluate_rphi(double q, double phi);
733	};
734
735	class Poly_GaussCoil{
736	public:
737	// Model parameters
738	Parameter rg;
739	Parameter scale;
740	Parameter poly_m;
741	Parameter background;
742
743	// Constructor
744	Poly_GaussCoil();
745
746	// Operators to get I(Q)
747	double operator()(double q);
748	double operator()(double qx, double qy);
749	double calculate_ER();
750	double evaluate_rphi(double q, double phi);
751	};
752
753	class FractalModel{
754	public:
755	// Model parameters
756	Parameter radius;
757	Parameter scale;
758	Parameter fractal_dim;
759	Parameter cor_length;
760	Parameter sldBlock;
761	Parameter sldSolv;
762	Parameter background;
763
764	// Constructor
765	FractalModel();
766
767	// Operators to get I(Q)
768	double operator()(double q);
769	double operator()(double qx, double qy);
770	double calculate_ER();
771	double evaluate_rphi(double q, double phi);
772	};
773
774	#endif

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