core_shell_microgelscostrafo411magnetic_modelrelease_v0.94release_v0.95ticket-1257-vesicle-productticket_1156ticket_1265_superballticket_822_more_unit_tests
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| 1 | double form_volume(void); |
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| 2 | |
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| 3 | double Iq(double q, |
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| 4 | double core_radius, |
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| 5 | double s_thickness, |
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| 6 | double w_thickness, |
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| 7 | double core_sld, |
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| 8 | double shell_sld, |
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| 9 | double n_pairs); |
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| 10 | |
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| 11 | double Iqxy(double qx, double qy, |
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| 12 | double core_radius, |
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| 13 | double s_thickness, |
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| 14 | double w_thickness, |
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| 15 | double core_sld, |
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| 16 | double shell_sld, |
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| 17 | double n_pairs); |
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| 18 | |
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| 19 | static |
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| 20 | double F_func(double qr) { |
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| 21 | double sc; |
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| 22 | |
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| 23 | if (qr > 0.1){ |
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| 24 | double sn, cn; |
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| 25 | SINCOS(qr, sn, cn); |
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| 26 | sc = (3.0*(sn - qr*cn)/(qr*qr*qr)); |
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| 27 | } else{ |
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| 28 | // herbie.uwplse.org/demo low-q solution for the above. |
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| 29 | sc = 1.0 + 0.0035714285714285718*(qr*qr*qr*qr) - 0.1*qr*qr; |
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| 30 | } |
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| 31 | |
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| 32 | return sc; |
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| 33 | } |
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| 34 | static |
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| 35 | double multi_shell_kernel(double q, |
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| 36 | double core_radius, |
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| 37 | double s_thickness, |
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| 38 | double w_thickness, |
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| 39 | double core_sld, |
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| 40 | double shell_sld, |
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| 41 | double n_pairs) |
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| 42 | { |
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| 43 | //calculate with a loop, two shells at a time |
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| 44 | int ii=0; |
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| 45 | double fval=0.0; |
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| 46 | double voli = 0.0; |
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| 47 | const double sldi = core_sld-shell_sld; |
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| 48 | |
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| 49 | do { |
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| 50 | double ri = core_radius + (double)ii*(s_thickness + w_thickness); |
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| 51 | |
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| 52 | // layer 1 |
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| 53 | voli = 4.0*M_PI/3.0*ri*ri*ri; |
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| 54 | fval += voli*sldi*F_func(ri*q); |
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| 55 | |
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| 56 | ri += s_thickness; |
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| 57 | |
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| 58 | // layer 2 |
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| 59 | voli = 4.0*M_PI/3.0*ri*ri*ri; |
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| 60 | fval -= voli*sldi*F_func(ri*q); |
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| 61 | |
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| 62 | //do 2 layers at a time |
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| 63 | ii+=1; |
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| 64 | |
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| 65 | } while(ii<=n_pairs-1); //change to make 0 < n_pairs < 2 correspond to |
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| 66 | //unilamellar vesicles (C. Glinka, 11/24/03) |
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| 67 | |
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| 68 | fval *= 1.0e-4*fval/voli; |
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| 69 | |
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| 70 | return(fval); |
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| 71 | } |
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| 72 | |
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| 73 | double form_volume(void){ |
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| 74 | return NAN; |
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| 75 | } |
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| 76 | |
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| 77 | double Iq(double q, |
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| 78 | double core_radius, |
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| 79 | double s_thickness, |
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| 80 | double w_thickness, |
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| 81 | double core_sld, |
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| 82 | double shell_sld, |
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| 83 | double n_pairs) |
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| 84 | { |
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| 85 | return multi_shell_kernel(q, |
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| 86 | core_radius, |
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| 87 | s_thickness, |
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| 88 | w_thickness, |
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| 89 | core_sld, |
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| 90 | shell_sld, |
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| 91 | n_pairs); |
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| 92 | } |
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| 93 | |
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| 94 | double Iqxy(double qx, double qy, |
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| 95 | double core_radius, |
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| 96 | double s_thickness, |
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| 97 | double w_thickness, |
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| 98 | double core_sld, |
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| 99 | double shell_sld, |
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| 100 | double n_pairs) |
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| 101 | { |
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| 102 | double q = sqrt(qx*qx + qy*qy); |
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| 103 | |
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| 104 | return multi_shell_kernel(q, |
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| 105 | core_radius, |
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| 106 | s_thickness, |
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| 107 | w_thickness, |
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| 108 | core_sld, |
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| 109 | shell_sld, |
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| 110 | n_pairs); |
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| 111 | } |
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| 112 | |
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