models.hh @ e2f7b92

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Last change on this file since e2f7b92 was 5eb9154, checked in by Jae Cho <jhjcho@…>, 15 years ago
calculation of the effective radius are added
Property mode set to `100644`
File size: 11.8 KB

Rev	Line
[fca6936]	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"
[8a48713]	21	#include "parallelepiped.h"
[c1c29b6]	22	#include "lamellarPS.h"
	23	#include "lamellar.h"
[fca6936]	24	}
	25
	26	using namespace std;
	27
[af03ddd]	28	class CylinderModel{
[fca6936]	29	public:
	30	// Model parameters
	31	Parameter radius;
	32	Parameter scale;
	33	Parameter length;
	34	Parameter contrast;
	35	Parameter background;
	36	Parameter cyl_theta;
	37	Parameter cyl_phi;
	38
	39	// Constructor
[af03ddd]	40	CylinderModel();
[fca6936]	41
	42	// Operators to get I(Q)
	43	double operator()(double q);
	44	double operator()(double qx, double qy);
[5eb9154]	45	double calculate_ER();
[fca6936]	46	double evaluate_rphi(double q, double phi);
	47	};
	48
[8a48713]	49	class ParallelepipedModel{
	50	public:
[975ec8e]	51	// TODO: add 2D
[8a48713]	52	// Model parameters
	53	Parameter scale;
[2cb89e7]	54	Parameter short_a;
[8e36cdd]	55	Parameter short_b;
	56	Parameter long_c;
[8a48713]	57	Parameter contrast;
	58	Parameter background;
	59	Parameter parallel_theta;
	60	Parameter parallel_phi;
[975ec8e]	61	Parameter parallel_psi;
[8a48713]	62
	63	// Constructor
	64	ParallelepipedModel();
	65
	66	// Operators to get I(Q)
	67	double operator()(double q);
	68	double operator()(double qx, double qy);
[5eb9154]	69	double calculate_ER();
[8a48713]	70	double evaluate_rphi(double q, double phi);
	71	};
	72
	73
[0f5bc9f]	74	class SphereModel{
	75	public:
	76	// Model parameters
	77	Parameter radius;
	78	Parameter scale;
	79	Parameter contrast;
	80	Parameter background;
	81
	82	// Constructor
	83	SphereModel();
	84
	85	// Operators to get I(Q)
	86	double operator()(double q);
	87	double operator()(double qx, double qy);
[5eb9154]	88	double calculate_ER();
[0f5bc9f]	89	double evaluate_rphi(double q, double phi);
	90	};
	91
[25579e8]	92	class HardsphereStructure{
	93	public:
	94	// Model parameters
[5eb9154]	95	Parameter effect_radius;
[25579e8]	96	Parameter volfraction;
	97
	98	// Constructor
	99	HardsphereStructure();
	100
	101	// Operators to get I(Q)
	102	double operator()(double q);
	103	double operator()(double qx, double qy);
[5eb9154]	104	double calculate_ER();
[25579e8]	105	double evaluate_rphi(double q, double phi);
	106	};
	107
	108	class StickyHSStructure{
	109	public:
	110	// Model parameters
[5eb9154]	111	Parameter effect_radius;
[25579e8]	112	Parameter volfraction;
	113	Parameter perturb;
	114	Parameter stickiness;
	115
	116	// Constructor
	117	StickyHSStructure();
	118
	119	// Operators to get I(Q)
	120	double operator()(double q);
	121	double operator()(double qx, double qy);
[5eb9154]	122	double calculate_ER();
[25579e8]	123	double evaluate_rphi(double q, double phi);
	124	};
	125
	126	class SquareWellStructure{
	127	public:
	128	// Model parameters
[5eb9154]	129	Parameter effect_radius;
[25579e8]	130	Parameter volfraction;
	131	Parameter welldepth;
	132	Parameter wellwidth;
	133
	134	// Constructor
	135	SquareWellStructure();
	136
	137	// Operators to get I(Q)
	138	double operator()(double q);
	139	double operator()(double qx, double qy);
[5eb9154]	140	double calculate_ER();
[25579e8]	141	double evaluate_rphi(double q, double phi);
	142	};
	143
	144	class HayterMSAStructure{
	145	public:
	146	// Model parameters
[5eb9154]	147	Parameter effect_radius;
[25579e8]	148	Parameter charge;
	149	Parameter volfraction;
	150	Parameter temperature;
	151	Parameter saltconc;
	152	Parameter dielectconst;
[a0782f1]	153
[25579e8]	154	// Constructor
	155	HayterMSAStructure();
	156
	157	// Operators to get I(Q)
	158	double operator()(double q);
	159	double operator()(double qx, double qy);
[5eb9154]	160	double calculate_ER();
[25579e8]	161	double evaluate_rphi(double q, double phi);
	162	};
	163
[a0782f1]	164	class DiamEllipFunc{
	165	public:
	166	// Model parameters
	167	Parameter radius_a;
	168	Parameter radius_b;
	169
	170	// Constructor
	171	DiamEllipFunc();
	172
	173	// Operators to get I(Q)
	174	double operator()(double q);
	175	double operator()(double qx, double qy);
[5eb9154]	176	double calculate_ER();
[a0782f1]	177	double evaluate_rphi(double q, double phi);
	178	};
	179
	180	class DiamCylFunc{
	181	public:
	182	// Model parameters
	183	Parameter radius;
	184	Parameter length;
	185
	186	// Constructor
	187	DiamCylFunc();
	188
	189	// Operators to get I(Q)
	190	double operator()(double q);
	191	double operator()(double qx, double qy);
[5eb9154]	192	double calculate_ER();
[a0782f1]	193	double evaluate_rphi(double q, double phi);
	194	};
	195
[0f5bc9f]	196	class CoreShellModel{
	197	public:
	198	// Model parameters
	199	Parameter radius;
	200	Parameter scale;
	201	Parameter thickness;
	202	Parameter core_sld;
	203	Parameter shell_sld;
	204	Parameter solvent_sld;
	205	Parameter background;
	206
	207	// Constructor
	208	CoreShellModel();
	209
	210	// Operators to get I(Q)
	211	double operator()(double q);
	212	double operator()(double qx, double qy);
[5eb9154]	213	double calculate_ER();
[0f5bc9f]	214	double evaluate_rphi(double q, double phi);
	215	};
	216
	217	class CoreShellCylinderModel{
	218	public:
	219	// Model parameters
	220	Parameter radius;
	221	Parameter scale;
	222	Parameter thickness;
	223	Parameter length;
	224	Parameter core_sld;
	225	Parameter shell_sld;
	226	Parameter solvent_sld;
	227	Parameter background;
	228	Parameter axis_theta;
	229	Parameter axis_phi;
	230
	231	// Constructor
	232	CoreShellCylinderModel();
	233
	234	// Operators to get I(Q)
	235	double operator()(double q);
	236	double operator()(double qx, double qy);
[5eb9154]	237	double calculate_ER();
[0f5bc9f]	238	double evaluate_rphi(double q, double phi);
	239	};
	240
	241	class EllipsoidModel{
	242	public:
	243	// Model parameters
	244	Parameter radius_a;
	245	Parameter scale;
	246	Parameter radius_b;
	247	Parameter contrast;
	248	Parameter background;
	249	Parameter axis_theta;
	250	Parameter axis_phi;
	251
	252	// Constructor
	253	EllipsoidModel();
	254
	255	// Operators to get I(Q)
	256	double operator()(double q);
	257	double operator()(double qx, double qy);
[5eb9154]	258	double calculate_ER();
[0f5bc9f]	259	double evaluate_rphi(double q, double phi);
	260	};
	261
	262	class EllipticalCylinderModel{
	263	public:
	264	// Model parameters
	265	Parameter r_minor;
	266	Parameter scale;
	267	Parameter r_ratio;
	268	Parameter length;
	269	Parameter contrast;
	270	Parameter background;
	271	Parameter cyl_theta;
	272	Parameter cyl_phi;
	273	Parameter cyl_psi;
	274
	275	// Constructor
	276	EllipticalCylinderModel();
	277
	278	// Operators to get I(Q)
	279	double operator()(double q);
	280	double operator()(double qx, double qy);
[5eb9154]	281	double calculate_ER();
[0f5bc9f]	282	double evaluate_rphi(double q, double phi);
	283	};
[5068697]	284	class TriaxialEllipsoidModel{
	285	public:
	286	// Model parameters
	287	Parameter scale;
	288	Parameter semi_axisA;
	289	Parameter semi_axisB;
	290	Parameter semi_axisC;
	291	Parameter contrast;
	292	Parameter background;
	293	Parameter axis_theta;
	294	Parameter axis_phi;
[975ec8e]	295	Parameter axis_psi;
	296
[5068697]	297	// Constructor
	298	TriaxialEllipsoidModel();
	299
	300	// Operators to get I(Q)
	301	double operator()(double q);
	302	double operator()(double qx, double qy);
[5eb9154]	303	double calculate_ER();
[5068697]	304	double evaluate_rphi(double q, double phi);
	305	};
	306
	307	class FlexibleCylinderModel{
	308	public:
	309	// Model parameters
	310	Parameter scale;
	311	Parameter length;
	312	Parameter kuhn_length;
	313	Parameter radius;
	314	Parameter contrast;
	315	Parameter background;
	316	Parameter axis_theta;
	317	Parameter axis_phi;
[975ec8e]	318
[5068697]	319	// Constructor
	320	FlexibleCylinderModel();
	321
	322	// Operators to get I(Q)
	323	double operator()(double q);
	324	double operator()(double qx, double qy);
[5eb9154]	325	double calculate_ER();
[5068697]	326	double evaluate_rphi(double q, double phi);
	327	};
	328
	329	class StackedDisksModel{
	330	public:
	331	// Model parameters
	332	Parameter scale;
[975ec8e]	333	Parameter core_thick;
[5068697]	334	Parameter radius;
[975ec8e]	335	Parameter layer_thick;
[5068697]	336	Parameter core_sld;
	337	Parameter layer_sld;
	338	Parameter solvent_sld;
[975ec8e]	339	Parameter n_stacking;
	340	Parameter sigma_d;
[5068697]	341	Parameter background;
	342	Parameter axis_theta;
	343	Parameter axis_phi;
[975ec8e]	344
[5068697]	345	// Constructor
	346	StackedDisksModel();
	347
	348	// Operators to get I(Q)
	349	double operator()(double q);
	350	double operator()(double qx, double qy);
[5eb9154]	351	double calculate_ER();
[5068697]	352	double evaluate_rphi(double q, double phi);
	353	};
[27a0771]	354
[34c3020]	355	class LamellarModel{
	356	public:
	357	// Model parameters
	358	Parameter scale;
[975ec8e]	359	Parameter bi_thick;
	360	Parameter sld_bi;
	361	Parameter sld_sol;
[34c3020]	362	Parameter background;
[975ec8e]	363
[34c3020]	364	// Constructor
	365	LamellarModel();
	366
	367	// Operators to get I(Q)
	368	double operator()(double q);
	369	double operator()(double qx, double qy);
[5eb9154]	370	double calculate_ER();
[34c3020]	371	double evaluate_rphi(double q, double phi);
	372
	373	};
	374
	375	class LamellarFFHGModel{
	376	public:
	377	// Model parameters
	378	Parameter scale;
	379	Parameter t_length;
	380	Parameter h_thickness;
	381	Parameter sld_tail;
	382	Parameter sld_head;
	383	Parameter sld_solvent;
	384	Parameter background;
[975ec8e]	385
[34c3020]	386	// Constructor
	387	LamellarFFHGModel();
	388
	389	// Operators to get I(Q)
	390	double operator()(double q);
	391	double operator()(double qx, double qy);
[5eb9154]	392	double calculate_ER();
[34c3020]	393	double evaluate_rphi(double q, double phi);
	394
	395	};
	396
	397
	398
[27a0771]	399	class LamellarPSModel{
	400	public:
	401	// Model parameters
	402	Parameter scale;
	403	Parameter spacing;
	404	Parameter delta;
	405	Parameter contrast;
	406	Parameter n_plates;
	407	Parameter caille;
	408	Parameter background;
[975ec8e]	409
[27a0771]	410	// Constructor
	411	LamellarPSModel();
	412
	413	// Operators to get I(Q)
	414	double operator()(double q);
	415	double operator()(double qx, double qy);
[5eb9154]	416	double calculate_ER();
[27a0771]	417	double evaluate_rphi(double q, double phi);
	418	};
	419
	420	class LamellarPSHGModel{
	421	public:
	422	// Model parameters
	423	Parameter scale;
	424	Parameter spacing;
	425	Parameter deltaT;
	426	Parameter deltaH;
	427	Parameter sld_tail;
	428	Parameter sld_head;
	429	Parameter sld_solvent;
	430	Parameter n_plates;
	431	Parameter caille;
	432	Parameter background;
[975ec8e]	433
[27a0771]	434	// Constructor
	435	LamellarPSHGModel();
	436
	437	// Operators to get I(Q)
	438	double operator()(double q);
	439	double operator()(double qx, double qy);
[5eb9154]	440	double calculate_ER();
[27a0771]	441	double evaluate_rphi(double q, double phi);
	442	};
	443
[eddff027]	444	class CoreShellEllipsoidModel{
[975ec8e]	445	public:
	446	// Model parameters
	447	Parameter scale;
	448	Parameter equat_core;
	449	Parameter polar_core;
	450	Parameter equat_shell;
	451	Parameter polar_shell;
	452	Parameter contrast;
	453	Parameter sld_solvent;
	454	Parameter background;
	455	Parameter axis_theta;
	456	Parameter axis_phi;
	457
	458	// Constructor
[eddff027]	459	CoreShellEllipsoidModel();
[975ec8e]	460
	461	// Operators to get I(Q)
	462	double operator()(double q);
	463	double operator()(double qx, double qy);
[5eb9154]	464	double calculate_ER();
[975ec8e]	465	double evaluate_rphi(double q, double phi);
	466	};
	467
[27fea3f]	468	class HollowCylinderModel{
	469	public:
	470	// Model parameters
	471	Parameter scale;
	472	Parameter core_radius;
[e2afadf]	473	Parameter radius;
[27fea3f]	474	Parameter length;
	475	Parameter contrast;
	476	Parameter background;
	477	Parameter axis_theta;
	478	Parameter axis_phi;
[975ec8e]	479
[27fea3f]	480	//Constructor
	481	HollowCylinderModel();
[975ec8e]	482
[27fea3f]	483	//Operators to get I(Q)
	484	double operator()(double q);
	485	double operator()(double qx , double qy);
[5eb9154]	486	double calculate_ER();
[27fea3f]	487	double evaluate_rphi(double q, double phi);
	488	};
[3d25331f]	489
	490	class MultiShellModel{
	491	public:
	492	// Model parameters
	493	Parameter scale;
	494	Parameter core_radius;
	495	Parameter s_thickness;
	496	Parameter w_thickness;
	497	Parameter core_sld;
	498	Parameter shell_sld;
	499	Parameter n_pairs;
	500	Parameter background;
[975ec8e]	501
[3d25331f]	502	//Constructor
	503	MultiShellModel();
[975ec8e]	504
[3d25331f]	505	//Operators to get I(Q)
	506	double operator()(double q);
	507	double operator()(double qx , double qy);
[5eb9154]	508	double calculate_ER();
[3d25331f]	509	double evaluate_rphi(double q, double phi);
	510	};
	511
	512	class VesicleModel{
	513	public:
	514	// Model parameters
	515	Parameter scale;
[e2afadf]	516	Parameter radius;
[3d25331f]	517	Parameter thickness;
	518	Parameter core_sld;
	519	Parameter shell_sld;
	520	Parameter background;
[975ec8e]	521
[3d25331f]	522	//Constructor
	523	VesicleModel();
[975ec8e]	524
[3d25331f]	525	//Operators to get I(Q)
	526	double operator()(double q);
	527	double operator()(double qx , double qy);
[5eb9154]	528	double calculate_ER();
[3d25331f]	529	double evaluate_rphi(double q, double phi);
	530	};
	531
	532	class BinaryHSModel{
	533	public:
	534	// Model parameters
	535	Parameter l_radius;
	536	Parameter s_radius;
	537	Parameter vol_frac_ls;
	538	Parameter vol_frac_ss;
	539	Parameter ls_sld;
	540	Parameter ss_sld;
	541	Parameter solvent_sld;
	542	Parameter background;
[975ec8e]	543
[3d25331f]	544	//Constructor
	545	BinaryHSModel();
[975ec8e]	546
[3d25331f]	547	//Operators to get I(Q)
	548	double operator()(double q);
	549	double operator()(double qx , double qy);
[5eb9154]	550	double calculate_ER();
[3d25331f]	551	double evaluate_rphi(double q, double phi);
	552	};
	553
[2c4b289]	554	class BinaryHSPSF11Model{
	555	public:
	556	// Model parameters
	557	Parameter l_radius;
	558	Parameter s_radius;
	559	Parameter vol_frac_ls;
	560	Parameter vol_frac_ss;
	561	Parameter ls_sld;
	562	Parameter ss_sld;
	563	Parameter solvent_sld;
	564	Parameter background;
[975ec8e]	565
[2c4b289]	566	//Constructor
	567	BinaryHSPSF11Model();
[975ec8e]	568
[2c4b289]	569	//Operators to get I(Q)
	570	double operator()(double q);
	571	double operator()(double qx , double qy);
[5eb9154]	572	double calculate_ER();
[2c4b289]	573	double evaluate_rphi(double q, double phi);
	574	};
	575
[fca6936]	576	#endif

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