[84e6942] | 1 | double _hollow_cylinder_kernel(double q, double core_radius, double radius, |
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| 2 | double length, double dum); |
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| 3 | |
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| 4 | double form_volume(double radius, double core_radius, double length); |
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| 5 | double Iq(double q, double radius, double core_radius, double length, double sld, |
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[6cf1cb3] | 6 | double solvent_sld); |
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[84e6942] | 7 | double Iqxy(double qx, double qy, double radius, double core_radius, double length, double sld, |
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[6cf1cb3] | 8 | double solvent_sld, double theta, double phi); |
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[84e6942] | 9 | |
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| 10 | // From Igor library |
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| 11 | double _hollow_cylinder_kernel(double q, double core_radius, double radius, |
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| 12 | double length, double dum) |
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| 13 | { |
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| 14 | double gamma,arg1,arg2,lam1,lam2,psi,sinarg,t2,retval; //local variables |
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| 15 | |
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| 16 | gamma = core_radius/radius; |
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| 17 | arg1 = q*radius*sqrt(1.0-dum*dum); //1=shell (outer radius) |
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| 18 | arg2 = q*core_radius*sqrt(1.0-dum*dum); //2=core (inner radius) |
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| 19 | if (arg1 == 0.0){ |
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| 20 | lam1 = 1.0; |
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| 21 | }else{ |
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| 22 | lam1 = 2.0*J1(arg1)/arg1; |
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| 23 | } |
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| 24 | if (arg2 == 0.0){ |
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| 25 | lam2 = 1.0; |
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| 26 | }else{ |
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| 27 | lam2 = 2.0*J1(arg2)/arg2; |
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| 28 | } |
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| 29 | //Todo: Need to check psi behavior as gamma goes to 1. |
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| 30 | psi = (lam1 - gamma*gamma*lam2)/(1.0-gamma*gamma); //SRK 10/19/00 |
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| 31 | sinarg = q*length*dum/2.0; |
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| 32 | if (sinarg == 0.0){ |
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| 33 | t2 = 1.0; |
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| 34 | }else{ |
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| 35 | t2 = sin(sinarg)/sinarg; |
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| 36 | } |
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| 37 | |
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| 38 | retval = psi*psi*t2*t2; |
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| 39 | |
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| 40 | return(retval); |
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| 41 | } |
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| 42 | |
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| 43 | double form_volume(double radius, double core_radius, double length) |
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| 44 | { |
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| 45 | double pi = 4.0*atan(1.0); |
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| 46 | double v_shell = pi*length*(radius*radius-core_radius*core_radius); |
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| 47 | return(v_shell); |
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| 48 | } |
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| 49 | |
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| 50 | double Iq(double q, double radius, double core_radius, double length, double sld, |
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[6cf1cb3] | 51 | double solvent_sld) |
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[84e6942] | 52 | { |
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| 53 | int i; |
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| 54 | int nord=76; //order of integration |
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| 55 | double lower,upper,zi, inter; //upper and lower integration limits |
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| 56 | double summ,answer,delrho; //running tally of integration |
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| 57 | double norm,scale,volume,convert; //final calculation variables |
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| 58 | |
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| 59 | delrho = solvent_sld - sld; |
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| 60 | lower = 0.0; |
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| 61 | upper = 1.0; //limits of numerical integral |
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| 62 | |
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| 63 | summ = 0.0; //initialize intergral |
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| 64 | for(i=0;i<nord;i++) { |
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| 65 | zi = ( Gauss76Z[i] * (upper-lower) + lower + upper )/2.0; |
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| 66 | inter = Gauss76Wt[i] * _hollow_cylinder_kernel(q, core_radius, radius, length, zi); |
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| 67 | summ += inter; |
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| 68 | } |
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| 69 | |
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| 70 | norm = summ*(upper-lower)/2.0; |
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| 71 | // Multiply by contrast^2 |
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| 72 | scale = delrho*delrho; |
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| 73 | //normalize by volume |
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| 74 | volume = form_volume(radius, core_radius, length); |
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[6cf1cb3] | 75 | //convert to [cm-1] given sld*1e6 |
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| 76 | convert = 1.0e-4; |
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| 77 | answer = norm*scale*convert*volume*volume; |
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[84e6942] | 78 | |
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| 79 | return(answer); |
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| 80 | } |
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| 81 | |
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| 82 | //TODO: Add this in |
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| 83 | double Iqxy(double qx, double qy, double radius, double core_radius, double length, double sld, |
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[6cf1cb3] | 84 | double solvent_sld, double theta, double phi) |
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[84e6942] | 85 | { |
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| 86 | return(0.0); |
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| 87 | } |
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