[ae3ce4e] | 1 | /* |
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| 2 | * libSANSAnalysis.h |
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| 3 | * SANSAnalysis |
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| 4 | * |
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| 5 | * Created by Andrew Jackson on 4/24/07. |
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| 6 | * |
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| 7 | */ |
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| 8 | |
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| 9 | /* IGOR Fit Functions */ |
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| 10 | double CylinderForm(double dp[], double q); |
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| 11 | double EllipCyl76(double dp[], double q); |
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| 12 | double EllipCyl20(double dp[], double q); |
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| 13 | double TriaxialEllipsoid(double dp[], double q); |
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| 14 | double Parallelepiped(double dp[], double q); |
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| 15 | double HollowCylinder(double dp[], double q); |
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| 16 | double EllipsoidForm(double dp[], double q); |
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| 17 | double Cyl_PolyRadius(double dp[], double q); |
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| 18 | double Cyl_PolyLength(double dp[], double q); |
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| 19 | double CoreShellCylinder(double dp[], double q); |
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| 20 | double OblateForm(double dp[], double q); |
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| 21 | double ProlateForm(double dp[], double q); |
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| 22 | double FlexExclVolCyl(double dp[], double q); |
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| 23 | double FlexCyl_PolyLen(double dp[], double q); |
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| 24 | double FlexCyl_PolyRad(double dp[], double q); |
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| 25 | double FlexCyl_Ellip(double dp[], double q); |
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| 26 | double PolyCoShCylinder(double dp[], double q); |
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| 27 | double StackedDiscs(double dp[], double q); |
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| 28 | double LamellarFF(double dp[], double q); |
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| 29 | double LamellarFF_HG(double dp[], double q); |
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| 30 | double LamellarPS(double dp[], double q); |
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| 31 | double LamellarPS_HG(double dp[], double q); |
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| 32 | |
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| 33 | /* internal functions */ |
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| 34 | double CylKernel(double qq, double rr,double h, double theta); |
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| 35 | double NR_BessJ1(double x); |
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| 36 | double EllipCylKernel(double qq, double ra,double nu, double theta); |
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| 37 | double TriaxialKernel(double q, double aa, double bb, double cc, double dx, double dy); |
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| 38 | double PPKernel(double aa, double mu, double uu); |
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| 39 | double HolCylKernel(double qq, double rcore, double rshell, double length, double dum); |
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| 40 | double EllipsoidKernel(double qq, double a, double va, double dum); |
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| 41 | double Cyl_PolyRadKernel(double q, double radius, double length, double zz, double delrho, double dumRad); |
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| 42 | double SchulzPoint_cpr(double dumRad, double radius, double zz); |
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| 43 | double Cyl_PolyLenKernel(double q, double radius, double len_avg, double zz, double delrho, double dumLen); |
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| 44 | double CoreShellCylKernel(double qq, double rcore, double thick, double rhoc, double rhos, double rhosolv, double length, double dum); |
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| 45 | double gfn4(double xx, double crmaj, double crmin, double trmaj, double trmin, double delpc, double delps, double qq); |
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| 46 | double gfn2(double xx, double crmaj, double crmin, double trmaj, double trmin, double delpc, double delps, double qq); |
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| 47 | double FlePolyLen_kernel(double q, double radius, double length, double lb, double zz, double delrho, double zi); |
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| 48 | double FlePolyRad_kernel(double q, double ravg, double Lc, double Lb, double zz, double delrho, double zi); |
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| 49 | double EllipticalCross_fn(double qq, double a, double b); |
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| 50 | double CScyl(double qq, double rad, double radthick, double facthick, double rhoc, double rhos, double rhosolv, double length, double dum); |
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| 51 | double CSCylIntegration(double qq, double rad, double radthick, double facthick, double rhoc, double rhos, double rhosolv, double length); |
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| 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); |
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| 53 | |
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| 54 | // |
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| 55 | /* IGOR Fit Functions */ |
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| 56 | double MultiShell(double dp[], double q); |
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| 57 | double PolyMultiShell(double dp[], double q); |
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| 58 | double SphereForm(double dp[], double q); |
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| 59 | double CoreShellForm(double dp[], double q); |
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| 60 | double PolyCoreForm(double dp[], double q); |
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| 61 | double PolyCoreShellRatio(double dp[], double q); |
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| 62 | double VesicleForm(double dp[], double q); |
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| 63 | double SchulzSpheres(double dp[], double q); |
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| 64 | double PolyRectSpheres(double dp[], double q); |
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| 65 | double PolyHardSphereIntensity(double dp[], double q); |
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| 66 | double BimodalSchulzSpheres(double dp[], double q); |
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| 67 | double GaussPolySphere(double dp[], double q); |
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| 68 | double LogNormalPolySphere(double dp[], double q); |
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| 69 | double BinaryHS(double dp[], double q); |
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| 70 | double BinaryHS_PSF11(double dp[], double q); |
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| 71 | double BinaryHS_PSF12(double dp[], double q); |
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| 72 | double BinaryHS_PSF22(double dp[], double q); |
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| 73 | |
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| 74 | //function prototypes |
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| 75 | double F_func(double qr); |
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| 76 | double MultiShellGuts(double q,double rcore,double ts,double tw,double rhocore,double rhoshel,int num); |
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| 77 | double fnt2(double yy, double zz); |
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| 78 | double fnt3(double yy, double pp, double zz); |
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| 79 | double SchulzSphere_Fn(double scale, double ravg, double pd, double rho, double rhos, double x); |
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| 80 | int ashcroft(double qval, double r2, double nf2, double aa, double phi, double *s11, double *s22, double *s12); |
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| 81 | |
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| 82 | |
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| 83 | //// |
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| 84 | double HardSphereStruct(double dp[], double q); |
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| 85 | double SquareWellStruct(double dp[], double q); |
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| 86 | double StickyHS_Struct(double dp[], double q); |
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| 87 | double HayterPenfoldMSA(double dp[], double q); |
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[7599dac] | 88 | double DiamCyl(double dp[], double q);//(double a, double b); |
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| 89 | double DiamEllip(double dp[], double q);//(double a, double b); |
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[ae3ce4e] | 90 | double sqhcal(double qq); |
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| 91 | int sqfun(int ix, int ir); |
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| 92 | int sqcoef(int ir); |
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| 93 | |
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| 94 | //// |
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| 95 | /* IGOR Fit Functions */ |
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| 96 | double TeubnerStreyModel(double dp[], double q); |
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| 97 | double Power_Law_Model(double dp[], double q); |
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| 98 | double Peak_Lorentz_Model(double dp[], double q); |
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| 99 | double Peak_Gauss_Model(double dp[], double q); |
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| 100 | double Lorentz_Model(double dp[], double q); |
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| 101 | double Fractal(double dp[], double q); |
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| 102 | double DAB_Model(double dp[], double q); |
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| 103 | double OneLevel(double dp[], double q); |
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| 104 | double TwoLevel(double dp[], double q); |
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| 105 | double ThreeLevel(double dp[], double q); |
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| 106 | double FourLevel(double dp[], double q); |
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| 107 | |
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