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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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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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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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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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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