source: sans/XOP_Dev/SANSAnalysis/lib/libSANSAnalysis.h @ 501

Last change on this file since 501 was 501, checked in by ajj, 14 years ago

Bicelle and Core-Shell Parallelepiped models for Andrea Hamill

File size: 7.8 KB
Line 
1/*
2 *  libSANSAnalysis.h
3 *  SANSAnalysis
4 *
5 *  Created by Andrew Jackson on 4/24/07.
6 *  Copyright 2007 __MyCompanyName__. All rights reserved.
7 *
8 */
9
10#include "libCylinder.h"
11#include "libSphere.h"
12#include "libStructureFactor.h"
13#include "libTwoPhase.h"
14
15/*This should not be necessary AJJ May 09*/
16/* IGOR Fit Functions */
17/*
18double CylinderForm(double dp[], double q);
19double EllipCyl76(double dp[], double q);
20double EllipCyl20(double dp[], double q);
21double TriaxialEllipsoid(double dp[], double q);
22double Parallelepiped(double dp[], double q);
23double HollowCylinder(double dp[], double q);
24double EllipsoidForm(double dp[], double q);
25double Cyl_PolyRadius(double dp[], double q);
26double Cyl_PolyLength(double dp[], double q);
27double CoreShellCylinder(double dp[], double q);
28double OblateForm(double dp[], double q);
29double ProlateForm(double dp[], double q);
30double FlexExclVolCyl(double dp[], double q);
31double FlexCyl_PolyLen(double dp[], double q);
32double FlexCyl_PolyRad(double dp[], double q);
33double FlexCyl_Ellip(double dp[], double q);
34double PolyCoShCylinder(double dp[], double q);
35double StackedDiscs(double dp[], double q);
36double LamellarFF(double dp[], double q);
37double LamellarFF_HG(double dp[], double q);
38double LamellarPS(double dp[], double q);
39double LamellarPS_HG(double dp[], double q);
40//
41double Lamellar_ParaCrystal(double dp[], double q);
42double Spherocylinder(double dp[], double q);
43double ConvexLens(double dp[], double q);
44double Dumbbell(double dp[], double q);
45double CappedCylinder(double dp[], double q);
46double Barbell(double dp[], double q);
47double PolyCoreBicelle(double dp[], double q);
48*/
49
50/* internal functions */
51/*
52double CylKernel(double qq, double rr,double h, double theta);
53double NR_BessJ1(double x);
54double EllipCylKernel(double qq, double ra,double nu, double theta);
55double TriaxialKernel(double q, double aa, double bb, double cc, double dx, double dy);
56double PPKernel(double aa, double mu, double uu);
57double HolCylKernel(double qq, double rcore, double rshell, double length, double dum);
58double EllipsoidKernel(double qq, double a, double va, double dum);
59double Cyl_PolyRadKernel(double q, double radius, double length, double zz, double delrho, double dumRad);
60double SchulzPoint_cpr(double dumRad, double radius, double zz);
61double Cyl_PolyLenKernel(double q, double radius, double len_avg, double zz, double delrho, double dumLen);
62double CoreShellCylKernel(double qq, double rcore, double thick, double rhoc, double rhos, double rhosolv, double length, double dum);
63double gfn4(double xx, double crmaj, double crmin, double trmaj, double trmin, double delpc, double delps, double qq);
64double gfn2(double xx, double crmaj, double crmin, double trmaj, double trmin, double delpc, double delps, double qq);
65double FlePolyLen_kernel(double q, double radius, double length, double lb, double zz, double delrho, double zi);
66double FlePolyRad_kernel(double q, double ravg, double Lc, double Lb, double zz, double delrho, double zi);
67double EllipticalCross_fn(double qq, double a, double b);
68double CScyl(double qq, double rad, double radthick, double facthick, double rhoc, double rhos, double rhosolv, double length, double dum);
69double CSCylIntegration(double qq, double rad, double radthick, double facthick, double rhoc, double rhos, double rhosolv, double length);
70double Stackdisc_kern(double qq, double rcore, double rhoc, double rhol, double rhosolv, double length, double thick, double dum, double gsd, double d, double N);
71double BicelleKernel(double qq, double rad, double radthick, double facthick, double rhoc, double rhoh, double rhor, double rhosolv, double length, double dum);
72double BicelleIntegration(double qq, double rad, double radthick, double facthick, double rhoc, double rhoh, double rhor, double rhosolv, double length);
73*/
74
75
76//
77/* IGOR Fit Functions */
78/*
79double MultiShell(double dp[], double q);
80double PolyMultiShell(double dp[], double q);
81double SphereForm(double dp[], double q);
82double CoreShellForm(double dp[], double q);
83double PolyCoreForm(double dp[], double q);
84double PolyCoreShellRatio(double dp[], double q);
85double VesicleForm(double dp[], double q);
86double SchulzSpheres(double dp[], double q);
87double PolyRectSpheres(double dp[], double q);
88double PolyHardSphereIntensity(double dp[], double q);
89double BimodalSchulzSpheres(double dp[], double q);
90double GaussPolySphere(double dp[], double q);
91double LogNormalPolySphere(double dp[], double q);
92double BinaryHS(double dp[], double q);
93double BinaryHS_PSF11(double dp[], double q);
94double BinaryHS_PSF12(double dp[], double q);
95double BinaryHS_PSF22(double dp[], double q);
96//
97double OneShell(double dp[], double q);
98double TwoShell(double dp[], double q);
99double ThreeShell(double dp[], double q);
100double FourShell(double dp[], double q);
101double PolyOneShell(double dp[], double q);
102double PolyTwoShell(double dp[], double q);
103double PolyThreeShell(double dp[], double q);
104double PolyFourShell(double dp[], double q);
105double BCC_ParaCrystal(double dp[], double q);
106double FCC_ParaCrystal(double dp[], double q);
107double SC_ParaCrystal(double dp[], double q);
108
109//function prototypes
110double F_func(double qr);
111double MultiShellGuts(double q,double rcore,double ts,double tw,double rhocore,double rhoshel,int num);
112double fnt2(double yy, double zz);
113double fnt3(double yy, double pp, double zz);
114double SchulzSphere_Fn(double scale, double ravg, double pd, double rho, double rhos, double x);
115int ashcroft(double qval, double r2, double nf2, double aa, double phi, double *s11, double *s22, double *s12);
116
117
118////
119double HardSphereStruct(double dp[], double q);
120double SquareWellStruct(double dp[], double q);
121double StickyHS_Struct(double dp[], double q);
122double HayterPenfoldMSA(double dp[], double q);
123double DiamCyl(double a, double b);
124double DiamEllip(double a, double b);
125double sqhcal(double qq);
126int sqfun(int ix, int ir);
127int sqcoef(int ir);
128*/
129////
130/* IGOR Fit Functions */
131/*
132double TeubnerStreyModel(double dp[], double q);
133double Power_Law_Model(double dp[], double q);
134double Peak_Lorentz_Model(double dp[], double q);
135double Peak_Gauss_Model(double dp[], double q);
136double Lorentz_Model(double dp[], double q);
137double Fractal(double dp[], double q);
138double DAB_Model(double dp[], double q);
139double OneLevel(double dp[], double q);
140double TwoLevel(double dp[], double q);
141double ThreeLevel(double dp[], double q);
142double FourLevel(double dp[], double q);
143//
144double BroadPeak(double dp[], double q);
145double CorrLength(double dp[], double q);
146double TwoLorentzian(double dp[], double q);
147double TwoPowerLaw(double dp[], double q);
148double PolyGaussCoil(double dp[], double q);
149double GaussLorentzGel(double dp[], double q);
150double GaussianShell(double dp[], double q);
151*/
152
153// since the XOP and the library are separate chunks of compiled code
154// it is imperative to set ALL the structure alignments to be two-byte
155// rather than leave it to the whim of the compiler
156/* SRK08
157#include "XOPStructureAlignmentTwoByte.h"
158
159typedef struct {
160    double scale;
161    double radius;
162    double length;
163    double contrast;
164        double background;   
165    double cyl_theta;
166    double cyl_phi;   
167} CylinderParameters;
168
169typedef struct {
170    double scale;
171    double radius;
172    double length;
173    double contrast;
174        double background;
175    double cyl_theta;
176    double cyl_phi;
177    double sigma_theta;
178    double sigma_phi;
179    double sigma_radius;
180} SmearCylinderParameters;
181
182#include "XOPStructureAlignmentReset.h"
183
184/// 1D scattering function
185double cylinder_analytical_1D(CylinderParameters *pars, double q);
186/// 2D scattering function
187double cylinder_analytical_2D(CylinderParameters *pars, double q, double phi);
188/// 1D scattering function
189double smeared_cylinder_analytical_1D(SmearCylinderParameters *pars, double q);
190/// 2D scattering function
191double dist_cylinder_2D(double pars[], double q, double phi);
192double smeared_cylinder_analytical_2D(SmearCylinderParameters *pars, double q, double phi);
193double smeared_cylinder_dist( double x, double mean, double sigma );
194*/
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