[c724ccd] | 1 | /** |
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| 2 | * Scattering model for a fuzzy sphere |
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| 3 | */ |
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| 4 | |
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| 5 | #include <math.h> |
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| 6 | #include "libSphere.h" |
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| 7 | #include "fuzzysphere.h" |
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| 8 | #include <stdio.h> |
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| 9 | #include <stdlib.h> |
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| 10 | |
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| 11 | // scattering from a uniform sphere w/ fuzzy surface |
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| 12 | // Modified from FuzzySpheres in libigor/libSphere.c without polydispersion: JHC |
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| 13 | double fuzzysphere_kernel(double dp[], double q){ |
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| 14 | double pi,x,xr; |
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| 15 | double radius,sldSph,sldSolv,scale,bkg,delrho,fuzziness,f2,bes,vol,f; //my local names |
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| 16 | |
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| 17 | pi = 4.0*atan(1.0); |
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| 18 | x= q; |
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| 19 | scale = dp[0]; |
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| 20 | radius = dp[1]; |
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| 21 | fuzziness = dp[2]; |
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| 22 | sldSph = dp[3]; |
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| 23 | sldSolv = dp[4]; |
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| 24 | bkg = dp[5]; |
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| 25 | delrho=sldSph-sldSolv; |
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| 26 | |
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| 27 | xr = x*radius; |
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| 28 | //handle xr==0 separately |
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| 29 | if(xr == 0.0){ |
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| 30 | bes = 1.0; |
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| 31 | }else{ |
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| 32 | bes = 3.0*(sin(xr)-xr*cos(xr))/(xr*xr*xr); |
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| 33 | } |
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| 34 | vol = 4.0*pi/3.0*radius*radius*radius; |
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| 35 | f = vol*bes*delrho; // [=] A |
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| 36 | f *= exp(-0.5*fuzziness*fuzziness*x*x); |
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| 37 | // normalize to single particle volume, convert to 1/cm |
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| 38 | f2 = f * f / vol * 1.0e8; // [=] 1/cm |
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| 39 | |
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| 40 | f2 *= scale; |
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| 41 | f2 += bkg; |
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| 42 | |
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| 43 | return(f2); //scale, and add in the background |
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| 44 | } |
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| 45 | |
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| 46 | |
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| 47 | /** |
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| 48 | * Function to evaluate 1D scattering function |
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| 49 | * @param pars: parameters of the fuzzysphere |
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| 50 | * @param q: q-value |
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| 51 | * @return: function value |
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| 52 | */ |
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| 53 | double fuzzysphere_analytical_1D(FuzzySphereParameters *pars, double q) { |
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| 54 | double dp[6]; |
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| 55 | |
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| 56 | dp[0] = pars->scale; |
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| 57 | dp[1] = pars->radius; |
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| 58 | dp[2] = pars->fuzziness; |
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| 59 | dp[3] = pars->sldSph; |
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| 60 | dp[4] = pars->sldSolv; |
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| 61 | dp[5] = pars->background; |
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| 62 | |
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| 63 | return fuzzysphere_kernel(dp, q); |
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| 64 | } |
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| 65 | |
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| 66 | /** |
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| 67 | * Function to evaluate 2D scattering function |
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| 68 | * @param pars: parameters of the fuzzysphere |
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| 69 | * @param q: q-value |
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| 70 | * @return: function value |
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| 71 | */ |
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| 72 | double fuzzysphere_analytical_2D(FuzzySphereParameters *pars, double q, double phi) { |
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| 73 | return fuzzysphere_analytical_1D(pars,q); |
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| 74 | } |
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| 75 | |
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| 76 | double sphere_analytical_2DXY(FuzzySphereParameters *pars, double qx, double qy){ |
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| 77 | return fuzzysphere_analytical_1D(pars,sqrt(qx*qx+qy*qy)); |
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| 78 | } |
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