[27a0771] | 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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[c1c29b6] | 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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[f10063e] | 21 | double scale,dd,del,sld_bi,sld_sol,contr,NN,Cp,bkg; //local variables of coefficient wave |
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[c1c29b6] | 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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[f10063e] | 26 | dQDefault = 0.0; //[=] 1/A, q-resolution, default value |
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[c1c29b6] | 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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[f10063e] | 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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[c1c29b6] | 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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[27a0771] | 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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[f10063e] | 83 | double dp[8]; |
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[b4679de] | 84 | |
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[27a0771] | 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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[f10063e] | 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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[27a0771] | 94 | |
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| 95 | // Call library function to evaluate model |
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[c1c29b6] | 96 | return LamellarPS_kernel(dp, q); |
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[27a0771] | 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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[b4679de] | 107 | return lamellarPS_analytical_1D(pars, q); |
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| 108 | } |
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[27a0771] | 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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[b4679de] | 119 | return lamellarPS_analytical_1D(pars,q); |
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| 120 | } |
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| 121 | |
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[27a0771] | 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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[b4679de] | 130 | |
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[27a0771] | 131 | |
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