[ae3ce4e] | 1 | /* |
---|
| 2 | * libSANSAnalysis.h |
---|
| 3 | * SANSAnalysis |
---|
| 4 | * |
---|
| 5 | * Created by Andrew Jackson on 4/24/07. |
---|
| 6 | * |
---|
| 7 | */ |
---|
| 8 | |
---|
| 9 | /* IGOR Fit Functions */ |
---|
| 10 | double CylinderForm(double dp[], double q); |
---|
| 11 | double EllipCyl76(double dp[], double q); |
---|
| 12 | double EllipCyl20(double dp[], double q); |
---|
| 13 | double TriaxialEllipsoid(double dp[], double q); |
---|
| 14 | double Parallelepiped(double dp[], double q); |
---|
| 15 | double HollowCylinder(double dp[], double q); |
---|
| 16 | double EllipsoidForm(double dp[], double q); |
---|
| 17 | double Cyl_PolyRadius(double dp[], double q); |
---|
| 18 | double Cyl_PolyLength(double dp[], double q); |
---|
| 19 | double CoreShellCylinder(double dp[], double q); |
---|
| 20 | double OblateForm(double dp[], double q); |
---|
| 21 | double ProlateForm(double dp[], double q); |
---|
| 22 | double FlexExclVolCyl(double dp[], double q); |
---|
| 23 | double FlexCyl_PolyLen(double dp[], double q); |
---|
| 24 | double FlexCyl_PolyRad(double dp[], double q); |
---|
| 25 | double FlexCyl_Ellip(double dp[], double q); |
---|
| 26 | double PolyCoShCylinder(double dp[], double q); |
---|
| 27 | double StackedDiscs(double dp[], double q); |
---|
| 28 | double LamellarFF(double dp[], double q); |
---|
| 29 | double LamellarFF_HG(double dp[], double q); |
---|
| 30 | double LamellarPS(double dp[], double q); |
---|
| 31 | double LamellarPS_HG(double dp[], double q); |
---|
| 32 | |
---|
| 33 | /* internal functions */ |
---|
| 34 | double CylKernel(double qq, double rr,double h, double theta); |
---|
| 35 | double NR_BessJ1(double x); |
---|
| 36 | double EllipCylKernel(double qq, double ra,double nu, double theta); |
---|
| 37 | double TriaxialKernel(double q, double aa, double bb, double cc, double dx, double dy); |
---|
| 38 | double PPKernel(double aa, double mu, double uu); |
---|
| 39 | double HolCylKernel(double qq, double rcore, double rshell, double length, double dum); |
---|
| 40 | double EllipsoidKernel(double qq, double a, double va, double dum); |
---|
| 41 | double Cyl_PolyRadKernel(double q, double radius, double length, double zz, double delrho, double dumRad); |
---|
| 42 | double SchulzPoint_cpr(double dumRad, double radius, double zz); |
---|
| 43 | double Cyl_PolyLenKernel(double q, double radius, double len_avg, double zz, double delrho, double dumLen); |
---|
| 44 | double CoreShellCylKernel(double qq, double rcore, double thick, double rhoc, double rhos, double rhosolv, double length, double dum); |
---|
| 45 | double gfn4(double xx, double crmaj, double crmin, double trmaj, double trmin, double delpc, double delps, double qq); |
---|
| 46 | double gfn2(double xx, double crmaj, double crmin, double trmaj, double trmin, double delpc, double delps, double qq); |
---|
| 47 | double FlePolyLen_kernel(double q, double radius, double length, double lb, double zz, double delrho, double zi); |
---|
| 48 | double FlePolyRad_kernel(double q, double ravg, double Lc, double Lb, double zz, double delrho, double zi); |
---|
| 49 | double EllipticalCross_fn(double qq, double a, double b); |
---|
| 50 | double CScyl(double qq, double rad, double radthick, double facthick, double rhoc, double rhos, double rhosolv, double length, double dum); |
---|
| 51 | double CSCylIntegration(double qq, double rad, double radthick, double facthick, double rhoc, double rhos, double rhosolv, double length); |
---|
| 52 | double Stackdisc_kern(double qq, double rcore, double rhoc, double rhol, double rhosolv, double length, double thick, double dum, double gsd, double d, double N); |
---|
| 53 | |
---|
| 54 | // |
---|
| 55 | /* IGOR Fit Functions */ |
---|
| 56 | double MultiShell(double dp[], double q); |
---|
| 57 | double PolyMultiShell(double dp[], double q); |
---|
| 58 | double SphereForm(double dp[], double q); |
---|
| 59 | double CoreShellForm(double dp[], double q); |
---|
| 60 | double PolyCoreForm(double dp[], double q); |
---|
| 61 | double PolyCoreShellRatio(double dp[], double q); |
---|
| 62 | double VesicleForm(double dp[], double q); |
---|
| 63 | double SchulzSpheres(double dp[], double q); |
---|
| 64 | double PolyRectSpheres(double dp[], double q); |
---|
| 65 | double PolyHardSphereIntensity(double dp[], double q); |
---|
| 66 | double BimodalSchulzSpheres(double dp[], double q); |
---|
| 67 | double GaussPolySphere(double dp[], double q); |
---|
| 68 | double LogNormalPolySphere(double dp[], double q); |
---|
| 69 | double BinaryHS(double dp[], double q); |
---|
| 70 | double BinaryHS_PSF11(double dp[], double q); |
---|
| 71 | double BinaryHS_PSF12(double dp[], double q); |
---|
| 72 | double BinaryHS_PSF22(double dp[], double q); |
---|
| 73 | |
---|
| 74 | //function prototypes |
---|
| 75 | double F_func(double qr); |
---|
| 76 | double MultiShellGuts(double q,double rcore,double ts,double tw,double rhocore,double rhoshel,int num); |
---|
| 77 | double fnt2(double yy, double zz); |
---|
| 78 | double fnt3(double yy, double pp, double zz); |
---|
| 79 | double SchulzSphere_Fn(double scale, double ravg, double pd, double rho, double rhos, double x); |
---|
| 80 | int ashcroft(double qval, double r2, double nf2, double aa, double phi, double *s11, double *s22, double *s12); |
---|
| 81 | |
---|
| 82 | |
---|
| 83 | //// |
---|
| 84 | double HardSphereStruct(double dp[], double q); |
---|
| 85 | double SquareWellStruct(double dp[], double q); |
---|
| 86 | double StickyHS_Struct(double dp[], double q); |
---|
| 87 | double HayterPenfoldMSA(double dp[], double q); |
---|
| 88 | double DiamCyl(double a, double b); |
---|
| 89 | double DiamEllip(double a, double b); |
---|
| 90 | double sqhcal(double qq); |
---|
| 91 | int sqfun(int ix, int ir); |
---|
| 92 | int sqcoef(int ir); |
---|
| 93 | |
---|
| 94 | //// |
---|
| 95 | /* IGOR Fit Functions */ |
---|
| 96 | double TeubnerStreyModel(double dp[], double q); |
---|
| 97 | double Power_Law_Model(double dp[], double q); |
---|
| 98 | double Peak_Lorentz_Model(double dp[], double q); |
---|
| 99 | double Peak_Gauss_Model(double dp[], double q); |
---|
| 100 | double Lorentz_Model(double dp[], double q); |
---|
| 101 | double Fractal(double dp[], double q); |
---|
| 102 | double DAB_Model(double dp[], double q); |
---|
| 103 | double OneLevel(double dp[], double q); |
---|
| 104 | double TwoLevel(double dp[], double q); |
---|
| 105 | double ThreeLevel(double dp[], double q); |
---|
| 106 | double FourLevel(double dp[], double q); |
---|
| 107 | |
---|