source: sans/XOP_Dev/SANSAnalysis/lib/libSANSAnalysis.h @ 756

Last change on this file since 756 was 756, checked in by srkline, 12 years ago

Adding Yun Liu's 2-Yukawa structure factor to both the library and the XOP. Ideally it would be consolidated to the libStructureFactor files, but there are a lot of files, and labeling them as such seems less confusing.

Currently functions correctly on Mac, still needs to be compiled on Win.

File size: 7.9 KB
2 *  libSANSAnalysis.h
3 *  SANSAnalysis
4 *
5 *  Created by Andrew Jackson on 4/24/07.
6 *  Copyright 2007 __MyCompanyName__. All rights reserved.
7 *
8 */
10#include "libCylinder.h"
11#include "libSphere.h"
12#include "libStructureFactor.h"
13#include "libTwoPhase.h"
14#include "2Y_OneYukawa.h"
15#include "2Y_TwoYukawa.h"
17/*This should not be necessary AJJ May 09*/
18/* IGOR Fit Functions */
20double CylinderForm(double dp[], double q);
21double EllipCyl76(double dp[], double q);
22double EllipCyl20(double dp[], double q);
23double TriaxialEllipsoid(double dp[], double q);
24double Parallelepiped(double dp[], double q);
25double HollowCylinder(double dp[], double q);
26double EllipsoidForm(double dp[], double q);
27double Cyl_PolyRadius(double dp[], double q);
28double Cyl_PolyLength(double dp[], double q);
29double CoreShellCylinder(double dp[], double q);
30double OblateForm(double dp[], double q);
31double ProlateForm(double dp[], double q);
32double FlexExclVolCyl(double dp[], double q);
33double FlexCyl_PolyLen(double dp[], double q);
34double FlexCyl_PolyRad(double dp[], double q);
35double FlexCyl_Ellip(double dp[], double q);
36double PolyCoShCylinder(double dp[], double q);
37double StackedDiscs(double dp[], double q);
38double LamellarFF(double dp[], double q);
39double LamellarFF_HG(double dp[], double q);
40double LamellarPS(double dp[], double q);
41double LamellarPS_HG(double dp[], double q);
43double Lamellar_ParaCrystal(double dp[], double q);
44double Spherocylinder(double dp[], double q);
45double ConvexLens(double dp[], double q);
46double Dumbbell(double dp[], double q);
47double CappedCylinder(double dp[], double q);
48double Barbell(double dp[], double q);
49double PolyCoreBicelle(double dp[], double q);
52/* internal functions */
54double CylKernel(double qq, double rr,double h, double theta);
55double NR_BessJ1(double x);
56double EllipCylKernel(double qq, double ra,double nu, double theta);
57double TriaxialKernel(double q, double aa, double bb, double cc, double dx, double dy);
58double PPKernel(double aa, double mu, double uu);
59double HolCylKernel(double qq, double rcore, double rshell, double length, double dum);
60double EllipsoidKernel(double qq, double a, double va, double dum);
61double Cyl_PolyRadKernel(double q, double radius, double length, double zz, double delrho, double dumRad);
62double SchulzPoint_cpr(double dumRad, double radius, double zz);
63double Cyl_PolyLenKernel(double q, double radius, double len_avg, double zz, double delrho, double dumLen);
64double CoreShellCylKernel(double qq, double rcore, double thick, double rhoc, double rhos, double rhosolv, double length, double dum);
65double gfn4(double xx, double crmaj, double crmin, double trmaj, double trmin, double delpc, double delps, double qq);
66double gfn2(double xx, double crmaj, double crmin, double trmaj, double trmin, double delpc, double delps, double qq);
67double FlePolyLen_kernel(double q, double radius, double length, double lb, double zz, double delrho, double zi);
68double FlePolyRad_kernel(double q, double ravg, double Lc, double Lb, double zz, double delrho, double zi);
69double EllipticalCross_fn(double qq, double a, double b);
70double CScyl(double qq, double rad, double radthick, double facthick, double rhoc, double rhos, double rhosolv, double length, double dum);
71double CSCylIntegration(double qq, double rad, double radthick, double facthick, double rhoc, double rhos, double rhosolv, double length);
72double Stackdisc_kern(double qq, double rcore, double rhoc, double rhol, double rhosolv, double length, double thick, double dum, double gsd, double d, double N);
73double BicelleKernel(double qq, double rad, double radthick, double facthick, double rhoc, double rhoh, double rhor, double rhosolv, double length, double dum);
74double BicelleIntegration(double qq, double rad, double radthick, double facthick, double rhoc, double rhoh, double rhor, double rhosolv, double length);
79/* IGOR Fit Functions */
81double MultiShell(double dp[], double q);
82double PolyMultiShell(double dp[], double q);
83double SphereForm(double dp[], double q);
84double CoreShellForm(double dp[], double q);
85double PolyCoreForm(double dp[], double q);
86double PolyCoreShellRatio(double dp[], double q);
87double VesicleForm(double dp[], double q);
88double SchulzSpheres(double dp[], double q);
89double PolyRectSpheres(double dp[], double q);
90double PolyHardSphereIntensity(double dp[], double q);
91double BimodalSchulzSpheres(double dp[], double q);
92double GaussPolySphere(double dp[], double q);
93double LogNormalPolySphere(double dp[], double q);
94double BinaryHS(double dp[], double q);
95double BinaryHS_PSF11(double dp[], double q);
96double BinaryHS_PSF12(double dp[], double q);
97double BinaryHS_PSF22(double dp[], double q);
99double OneShell(double dp[], double q);
100double TwoShell(double dp[], double q);
101double ThreeShell(double dp[], double q);
102double FourShell(double dp[], double q);
103double PolyOneShell(double dp[], double q);
104double PolyTwoShell(double dp[], double q);
105double PolyThreeShell(double dp[], double q);
106double PolyFourShell(double dp[], double q);
107double BCC_ParaCrystal(double dp[], double q);
108double FCC_ParaCrystal(double dp[], double q);
109double SC_ParaCrystal(double dp[], double q);
111//function prototypes
112double F_func(double qr);
113double MultiShellGuts(double q,double rcore,double ts,double tw,double rhocore,double rhoshel,int num);
114double fnt2(double yy, double zz);
115double fnt3(double yy, double pp, double zz);
116double SchulzSphere_Fn(double scale, double ravg, double pd, double rho, double rhos, double x);
117int ashcroft(double qval, double r2, double nf2, double aa, double phi, double *s11, double *s22, double *s12);
121double HardSphereStruct(double dp[], double q);
122double SquareWellStruct(double dp[], double q);
123double StickyHS_Struct(double dp[], double q);
124double HayterPenfoldMSA(double dp[], double q);
125double DiamCyl(double a, double b);
126double DiamEllip(double a, double b);
127double sqhcal(double qq);
128int sqfun(int ix, int ir);
129int sqcoef(int ir);
132/* IGOR Fit Functions */
134double TeubnerStreyModel(double dp[], double q);
135double Power_Law_Model(double dp[], double q);
136double Peak_Lorentz_Model(double dp[], double q);
137double Peak_Gauss_Model(double dp[], double q);
138double Lorentz_Model(double dp[], double q);
139double Fractal(double dp[], double q);
140double DAB_Model(double dp[], double q);
141double OneLevel(double dp[], double q);
142double TwoLevel(double dp[], double q);
143double ThreeLevel(double dp[], double q);
144double FourLevel(double dp[], double q);
146double BroadPeak(double dp[], double q);
147double CorrLength(double dp[], double q);
148double TwoLorentzian(double dp[], double q);
149double TwoPowerLaw(double dp[], double q);
150double PolyGaussCoil(double dp[], double q);
151double GaussLorentzGel(double dp[], double q);
152double GaussianShell(double dp[], double q);
155// since the XOP and the library are separate chunks of compiled code
156// it is imperative to set ALL the structure alignments to be two-byte
157// rather than leave it to the whim of the compiler
158/* SRK08
159#include "XOPStructureAlignmentTwoByte.h"
161typedef struct {
162    double scale;
163    double radius;
164    double length;
165    double contrast;
166        double background;   
167    double cyl_theta;
168    double cyl_phi;   
169} CylinderParameters;
171typedef struct {
172    double scale;
173    double radius;
174    double length;
175    double contrast;
176        double background;
177    double cyl_theta;
178    double cyl_phi;
179    double sigma_theta;
180    double sigma_phi;
181    double sigma_radius;
182} SmearCylinderParameters;
184#include "XOPStructureAlignmentReset.h"
186/// 1D scattering function
187double cylinder_analytical_1D(CylinderParameters *pars, double q);
188/// 2D scattering function
189double cylinder_analytical_2D(CylinderParameters *pars, double q, double phi);
190/// 1D scattering function
191double smeared_cylinder_analytical_1D(SmearCylinderParameters *pars, double q);
192/// 2D scattering function
193double dist_cylinder_2D(double pars[], double q, double phi);
194double smeared_cylinder_analytical_2D(SmearCylinderParameters *pars, double q, double phi);
195double smeared_cylinder_dist( double x, double mean, double sigma );
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