[27a0771] | 1 | /** |
---|
| 2 | * Scattering model for a lamellar |
---|
| 3 | * TODO: Add 2D analysis |
---|
| 4 | */ |
---|
| 5 | |
---|
| 6 | #include "lamellarPS.h" |
---|
| 7 | #include <math.h> |
---|
| 8 | #include "libCylinder.h" |
---|
| 9 | #include <stdio.h> |
---|
| 10 | #include <stdlib.h> |
---|
| 11 | |
---|
[c1c29b6] | 12 | /*LamellarPS_kernel() was moved from libigor to get rid of polydipersity in del(thickness) that we provide from control panel. |
---|
| 13 | /* LamellarPSX : calculates the form factor of a lamellar structure - with S(q) effects included |
---|
| 14 | ------- |
---|
| 15 | ------- resolution effects ARE NOT included, but only a CONSTANT default value, not the real q-dependent resolution!! |
---|
| 16 | |
---|
| 17 | */ |
---|
| 18 | double |
---|
| 19 | LamellarPS_kernel(double dp[], double q) |
---|
| 20 | { |
---|
| 21 | double scale,dd,del,contr,NN,Cp,bkg; //local variables of coefficient wave |
---|
| 22 | double inten, qval,Pq,Sq,alpha,temp,t1,t2,t3,dQ; |
---|
| 23 | double Pi,Euler,dQDefault,fii; |
---|
| 24 | int ii,NNint; |
---|
| 25 | Euler = 0.5772156649; // Euler's constant |
---|
| 26 | dQDefault = 0.0;//0.0025; //[=] 1/A, q-resolution, default value |
---|
| 27 | dQ = dQDefault; |
---|
| 28 | |
---|
| 29 | Pi = 4.0*atan(1.0); |
---|
| 30 | qval = q; |
---|
| 31 | |
---|
| 32 | scale = dp[0]; |
---|
| 33 | dd = dp[1]; |
---|
| 34 | del = dp[2]; |
---|
| 35 | contr = dp[3]; |
---|
| 36 | NN = trunc(dp[4]); //be sure that NN is an integer |
---|
| 37 | Cp = dp[5]; |
---|
| 38 | bkg = dp[6]; |
---|
| 39 | |
---|
| 40 | Pq = 2.0*contr*contr/qval/qval*(1.0-cos(qval*del)); |
---|
| 41 | |
---|
| 42 | NNint = (int)NN; //cast to an integer for the loop |
---|
| 43 | ii=0; |
---|
| 44 | Sq = 0.0; |
---|
| 45 | for(ii=1;ii<(NNint-1);ii+=1) { |
---|
| 46 | |
---|
| 47 | fii = (double)ii; //do I really need to do this? |
---|
| 48 | |
---|
| 49 | temp = 0.0; |
---|
| 50 | alpha = Cp/4.0/Pi/Pi*(log(Pi*ii) + Euler); |
---|
| 51 | t1 = 2.0*dQ*dQ*dd*dd*alpha; |
---|
| 52 | t2 = 2.0*qval*qval*dd*dd*alpha; |
---|
| 53 | t3 = dQ*dQ*dd*dd*ii*ii; |
---|
| 54 | |
---|
| 55 | temp = 1.0-ii/NN; |
---|
| 56 | temp *= cos(dd*qval*ii/(1.0+t1)); |
---|
| 57 | temp *= exp(-1.0*(t2 + t3)/(2.0*(1.0+t1)) ); |
---|
| 58 | temp /= sqrt(1.0+t1); |
---|
| 59 | |
---|
| 60 | Sq += temp; |
---|
| 61 | } |
---|
| 62 | |
---|
| 63 | Sq *= 2.0; |
---|
| 64 | Sq += 1.0; |
---|
| 65 | |
---|
| 66 | inten = 2.0*Pi*scale*Pq*Sq/(dd*qval*qval); |
---|
| 67 | |
---|
| 68 | inten *= 1.0e8; // 1/A to 1/cm |
---|
| 69 | |
---|
| 70 | return(inten+bkg); |
---|
| 71 | } |
---|
[27a0771] | 72 | |
---|
| 73 | /** |
---|
| 74 | * Function to evaluate 1D scattering function |
---|
| 75 | * @param pars: parameters of the lamellar |
---|
| 76 | * @param q: q-value |
---|
| 77 | * @return: function value |
---|
| 78 | */ |
---|
| 79 | double lamellarPS_analytical_1D(LamellarPSParameters *pars, double q) { |
---|
[c1c29b6] | 80 | double dp[7]; |
---|
[b4679de] | 81 | |
---|
[27a0771] | 82 | // Fill paramater array |
---|
| 83 | dp[0] = pars->scale; |
---|
| 84 | dp[1] = pars->spacing; |
---|
| 85 | dp[2] = pars->delta; |
---|
[c1c29b6] | 86 | dp[3] = pars->contrast; |
---|
| 87 | dp[4] = pars->n_plates; |
---|
| 88 | dp[5] = pars->caille; |
---|
| 89 | dp[6] = pars->background; |
---|
[27a0771] | 90 | |
---|
| 91 | // Call library function to evaluate model |
---|
[c1c29b6] | 92 | return LamellarPS_kernel(dp, q); |
---|
[27a0771] | 93 | } |
---|
| 94 | /** |
---|
| 95 | * Function to evaluate 2D scattering function |
---|
| 96 | * @param pars: parameters of the lamellar |
---|
| 97 | * @param q: q-value |
---|
| 98 | * @return: function value |
---|
| 99 | */ |
---|
| 100 | double lamellarPS_analytical_2DXY(LamellarPSParameters *pars, double qx, double qy) { |
---|
| 101 | double q; |
---|
| 102 | q = sqrt(qx*qx+qy*qy); |
---|
[b4679de] | 103 | return lamellarPS_analytical_1D(pars, q); |
---|
| 104 | } |
---|
[27a0771] | 105 | |
---|
| 106 | |
---|
| 107 | /** |
---|
| 108 | * Function to evaluate 2D scattering function |
---|
| 109 | * @param pars: parameters of the lamellar |
---|
| 110 | * @param q: q-value |
---|
| 111 | * @param phi: angle phi |
---|
| 112 | * @return: function value |
---|
| 113 | */ |
---|
| 114 | double lamellarPS_analytical_2D(LamellarPSParameters *pars, double q, double phi) { |
---|
[b4679de] | 115 | return lamellarPS_analytical_1D(pars,q); |
---|
| 116 | } |
---|
| 117 | |
---|
[27a0771] | 118 | /** |
---|
| 119 | * Function to evaluate 2D scattering function |
---|
| 120 | * @param pars: parameters of the lamellar |
---|
| 121 | * @param q: q-value |
---|
| 122 | * @param q_x: q_x / q |
---|
| 123 | * @param q_y: q_y / q |
---|
| 124 | * @return: function value |
---|
| 125 | */ |
---|
[b4679de] | 126 | |
---|
[27a0771] | 127 | |
---|