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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88 | double DiamCyl(double a, double b); |
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89 | double DiamEllip(double a, double b); |
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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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