1 | /** |
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2 | * Scattering model for a lamellar |
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3 | * TODO: Add 2D analysis |
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4 | */ |
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5 | |
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6 | #include "lamellarPS.h" |
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7 | #include <math.h> |
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8 | #include "libCylinder.h" |
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9 | #include <stdio.h> |
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10 | #include <stdlib.h> |
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11 | |
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12 | /*LamellarPS_kernel() was moved from libigor to get rid of polydipersity in del(thickness) that we provide from control panel. |
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13 | /* LamellarPSX : calculates the form factor of a lamellar structure - with S(q) effects included |
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14 | ------- |
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15 | ------- resolution effects ARE NOT included, but only a CONSTANT default value, not the real q-dependent resolution!! |
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16 | |
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17 | */ |
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18 | double |
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19 | LamellarPS_kernel(double dp[], double q) |
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20 | { |
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21 | double scale,dd,del,sld_bi,sld_sol,contr,NN,Cp,bkg; //local variables of coefficient wave |
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22 | double inten, qval,Pq,Sq,alpha,temp,t1,t2,t3,dQ; |
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23 | double Pi,Euler,dQDefault,fii; |
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24 | int ii,NNint; |
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25 | Euler = 0.5772156649; // Euler's constant |
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26 | dQDefault = 0.0; //[=] 1/A, q-resolution, default value |
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27 | dQ = dQDefault; |
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28 | |
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29 | Pi = 4.0*atan(1.0); |
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30 | qval = q; |
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31 | |
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32 | scale = dp[0]; |
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33 | dd = dp[1]; |
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34 | del = dp[2]; |
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35 | sld_bi = dp[3]; |
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36 | sld_sol = dp[4]; |
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37 | NN = trunc(dp[5]); //be sure that NN is an integer |
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38 | Cp = dp[6]; |
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39 | bkg = dp[7]; |
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40 | |
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41 | contr = sld_bi - sld_sol; |
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42 | |
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43 | Pq = 2.0*contr*contr/qval/qval*(1.0-cos(qval*del)); |
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44 | |
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45 | NNint = (int)NN; //cast to an integer for the loop |
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46 | ii=0; |
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47 | Sq = 0.0; |
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48 | for(ii=1;ii<(NNint-1);ii+=1) { |
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49 | |
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50 | fii = (double)ii; //do I really need to do this? |
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51 | |
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52 | temp = 0.0; |
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53 | alpha = Cp/4.0/Pi/Pi*(log(Pi*ii) + Euler); |
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54 | t1 = 2.0*dQ*dQ*dd*dd*alpha; |
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55 | t2 = 2.0*qval*qval*dd*dd*alpha; |
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56 | t3 = dQ*dQ*dd*dd*ii*ii; |
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57 | |
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58 | temp = 1.0-ii/NN; |
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59 | temp *= cos(dd*qval*ii/(1.0+t1)); |
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60 | temp *= exp(-1.0*(t2 + t3)/(2.0*(1.0+t1)) ); |
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61 | temp /= sqrt(1.0+t1); |
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62 | |
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63 | Sq += temp; |
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64 | } |
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65 | |
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66 | Sq *= 2.0; |
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67 | Sq += 1.0; |
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68 | |
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69 | inten = 2.0*Pi*scale*Pq*Sq/(dd*qval*qval); |
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70 | |
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71 | inten *= 1.0e8; // 1/A to 1/cm |
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72 | |
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73 | return(inten+bkg); |
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74 | } |
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75 | |
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76 | /** |
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77 | * Function to evaluate 1D scattering function |
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78 | * @param pars: parameters of the lamellar |
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79 | * @param q: q-value |
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80 | * @return: function value |
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81 | */ |
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82 | double lamellarPS_analytical_1D(LamellarPSParameters *pars, double q) { |
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83 | double dp[8]; |
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84 | |
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85 | // Fill paramater array |
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86 | dp[0] = pars->scale; |
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87 | dp[1] = pars->spacing; |
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88 | dp[2] = pars->delta; |
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89 | dp[3] = pars->sld_bi; |
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90 | dp[4] = pars->sld_sol; |
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91 | dp[5] = pars->n_plates; |
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92 | dp[6] = pars->caille; |
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93 | dp[7] = pars->background; |
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94 | |
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95 | // Call library function to evaluate model |
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96 | return LamellarPS_kernel(dp, q); |
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97 | } |
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98 | /** |
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99 | * Function to evaluate 2D scattering function |
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100 | * @param pars: parameters of the lamellar |
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101 | * @param q: q-value |
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102 | * @return: function value |
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103 | */ |
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104 | double lamellarPS_analytical_2DXY(LamellarPSParameters *pars, double qx, double qy) { |
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105 | double q; |
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106 | q = sqrt(qx*qx+qy*qy); |
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107 | return lamellarPS_analytical_1D(pars, q); |
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108 | } |
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109 | |
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110 | |
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111 | /** |
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112 | * Function to evaluate 2D scattering function |
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113 | * @param pars: parameters of the lamellar |
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114 | * @param q: q-value |
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115 | * @param phi: angle phi |
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116 | * @return: function value |
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117 | */ |
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118 | double lamellarPS_analytical_2D(LamellarPSParameters *pars, double q, double phi) { |
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119 | return lamellarPS_analytical_1D(pars,q); |
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120 | } |
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121 | |
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122 | /** |
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123 | * Function to evaluate 2D scattering function |
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124 | * @param pars: parameters of the lamellar |
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125 | * @param q: q-value |
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126 | * @param q_x: q_x / q |
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127 | * @param q_y: q_y / q |
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128 | * @return: function value |
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129 | */ |
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130 | |
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131 | |
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