[ae3ce4e] | 1 | /* |
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| 2 | libCylinderFit.h -- equates for CylinderFit XOP |
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| 3 | */ |
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| 4 | |
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| 5 | |
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| 6 | /* Prototypes */ |
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| 7 | /* IGOR Fit Functions */ |
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| 8 | double CylinderForm(double dp[], double q); |
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| 9 | double EllipCyl76(double dp[], double q); |
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| 10 | double EllipCyl20(double dp[], double q); |
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| 11 | double TriaxialEllipsoid(double dp[], double q); |
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| 12 | double Parallelepiped(double dp[], double q); |
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| 13 | double HollowCylinder(double dp[], double q); |
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| 14 | double EllipsoidForm(double dp[], double q); |
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| 15 | double Cyl_PolyRadius(double dp[], double q); |
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| 16 | double Cyl_PolyLength(double dp[], double q); |
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| 17 | double CoreShellCylinder(double dp[], double q); |
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| 18 | double OblateForm(double dp[], double q); |
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| 19 | double ProlateForm(double dp[], double q); |
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| 20 | double FlexExclVolCyl(double dp[], double q); |
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| 21 | double FlexCyl_PolyLen(double dp[], double q); |
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| 22 | double FlexCyl_PolyRad(double dp[], double q); |
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| 23 | double FlexCyl_Ellip(double dp[], double q); |
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| 24 | double PolyCoShCylinder(double dp[], double q); |
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| 25 | double StackedDiscs(double dp[], double q); |
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| 26 | double LamellarFF(double dp[], double q); |
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| 27 | double LamellarFF_HG(double dp[], double q); |
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| 28 | double LamellarPS(double dp[], double q); |
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| 29 | double LamellarPS_HG(double dp[], double q); |
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[6e93a02] | 30 | double Lamellar_ParaCrystal(double dp[], double q); |
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| 31 | double Spherocylinder(double dp[], double q); |
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| 32 | double ConvexLens(double dp[], double q); |
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| 33 | double Dumbbell(double dp[], double q); |
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| 34 | double CappedCylinder(double dp[], double q); |
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| 35 | double Barbell(double dp[], double q); |
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| 36 | double PolyCoreBicelle(double dp[], double q); |
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| 37 | double CSParallelepiped(double dp[], double q); |
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[ae3ce4e] | 38 | |
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| 39 | /* internal functions */ |
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| 40 | double CylKernel(double qq, double rr,double h, double theta); |
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| 41 | double NR_BessJ1(double x); |
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| 42 | double EllipCylKernel(double qq, double ra,double nu, double theta); |
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| 43 | double TriaxialKernel(double q, double aa, double bb, double cc, double dx, double dy); |
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| 44 | double PPKernel(double aa, double mu, double uu); |
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| 45 | double HolCylKernel(double qq, double rcore, double rshell, double length, double dum); |
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| 46 | double EllipsoidKernel(double qq, double a, double va, double dum); |
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| 47 | double Cyl_PolyRadKernel(double q, double radius, double length, double zz, double delrho, double dumRad); |
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| 48 | double SchulzPoint_cpr(double dumRad, double radius, double zz); |
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| 49 | double Cyl_PolyLenKernel(double q, double radius, double len_avg, double zz, double delrho, double dumLen); |
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| 50 | double CoreShellCylKernel(double qq, double rcore, double thick, double rhoc, double rhos, double rhosolv, double length, double dum); |
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| 51 | double gfn4(double xx, double crmaj, double crmin, double trmaj, double trmin, double delpc, double delps, double qq); |
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| 52 | double gfn2(double xx, double crmaj, double crmin, double trmaj, double trmin, double delpc, double delps, double qq); |
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| 53 | double FlePolyLen_kernel(double q, double radius, double length, double lb, double zz, double delrho, double zi); |
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| 54 | double FlePolyRad_kernel(double q, double ravg, double Lc, double Lb, double zz, double delrho, double zi); |
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| 55 | double EllipticalCross_fn(double qq, double a, double b); |
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| 56 | double CScyl(double qq, double rad, double radthick, double facthick, double rhoc, double rhos, double rhosolv, double length, double dum); |
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| 57 | double CSCylIntegration(double qq, double rad, double radthick, double facthick, double rhoc, double rhos, double rhosolv, double length); |
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| 58 | 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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[6e93a02] | 59 | double paraCryst_sn(double ww, double qval, double davg, long nl, double an); |
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| 60 | double paraCryst_an(double ww, double qval, double davg, long nl); |
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| 61 | double SphCyl_kernel(double w[], double x, double tt, double Theta); |
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| 62 | double ConvLens_kernel(double w[], double x, double tt, double theta); |
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| 63 | double Dumb_kernel(double w[], double x, double tt, double theta); |
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| 64 | double BicelleKernel(double qq, double rad, double radthick, double facthick, double rhoc, double rhoh, double rhor, double rhosolv, double length, double dum); |
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| 65 | double BicelleIntegration(double qq, double rad, double radthick, double facthick, double rhoc, double rhoh, double rhor, double rhosolv, double length); |
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| 66 | double CSPPKernel(double dp[], double mu, double uu); |
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[ae3ce4e] | 67 | |
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| 68 | /////////functions for WRC implementation of flexible cylinders |
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| 69 | static double Sk_WR(double q, double L, double b); |
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| 70 | static double w_WR(double x); |
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| 71 | static double u1(double q, double L, double b); |
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| 72 | static double u_WR(double q, double L, double b); |
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| 73 | static double Rgsquarezero(double q, double L, double b); |
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| 74 | static double Rgsquareshort(double q, double L, double b); |
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| 75 | static double Rgsquare(double q, double L, double b); |
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| 76 | static double AlphaSquare(double x); |
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| 77 | static double miu(double x); |
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| 78 | static double Sdebye(double q, double L, double b); |
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| 79 | static double Sdebye1(double q, double L, double b); |
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| 80 | static double Sexv(double q, double L, double b); |
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| 81 | static double Sexvnew(double q, double L, double b); |
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| 82 | static double a2short(double q, double L, double b, double p1short, double p2short, double q0); |
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| 83 | static double a1short(double q, double L, double b, double p1short, double p2short, double q0); |
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| 84 | static double a2long(double q, double L, double b, double p1, double p2, double q0); |
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| 85 | static double sech_WR(double x); |
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| 86 | static double a1long(double q, double L, double b, double p1, double p2, double q0); |
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| 87 | static double gammaln(double xx); |
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