core_shell_microgelscostrafo411magnetic_modelticket-1257-vesicle-productticket_1156ticket_1265_superballticket_822_more_unit_tests
Last change
on this file since 925ad6e was
925ad6e,
checked in by wojciech, 7 years ago
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sph_j1c translated to sas_3j1x_x
|
-
Property mode set to
100644
|
File size:
2.6 KB
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Rev | Line | |
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[0d0aee1] | 1 | double Iq(double q, |
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| 2 | double ndensity, |
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| 3 | double v_core, |
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| 4 | double v_corona, |
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| 5 | double solvent_sld, |
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| 6 | double core_sld, |
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| 7 | double corona_sld, |
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| 8 | double radius_core, |
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[a807206] | 9 | double rg, |
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[0d0aee1] | 10 | double d_penetration, |
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| 11 | double n_aggreg); |
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| 12 | |
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| 13 | static double micelle_spherical_kernel(double q, |
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| 14 | double ndensity, |
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| 15 | double v_core, |
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| 16 | double v_corona, |
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| 17 | double solvent_sld, |
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| 18 | double core_sld, |
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| 19 | double corona_sld, |
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| 20 | double radius_core, |
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[a807206] | 21 | double rg, |
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[0d0aee1] | 22 | double d_penetration, |
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| 23 | double n_aggreg) |
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| 24 | { |
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| 25 | const double rho_solv = solvent_sld; // sld of solvent [1/A^2] |
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| 26 | const double rho_core = core_sld; // sld of core [1/A^2] |
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| 27 | const double rho_corona = corona_sld; // sld of corona [1/A^2] |
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| 28 | |
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| 29 | const double beta_core = v_core * (rho_core - rho_solv); |
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| 30 | const double beta_corona = v_corona * (rho_corona - rho_solv); |
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| 31 | |
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| 32 | // Self-correlation term of the core |
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[925ad6e] | 33 | const double bes_core = sas_3j1x_x(q*radius_core); |
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[c3ebc71] | 34 | const double term1 = square(n_aggreg*beta_core*bes_core); |
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[0d0aee1] | 35 | |
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| 36 | // Self-correlation term of the chains |
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[c3ebc71] | 37 | const double qrg2 = square(q*rg); |
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[c915373] | 38 | const double debye_chain = (qrg2 == 0.0) ? 1.0 : 2.0*(expm1(-qrg2)+qrg2)/(qrg2*qrg2); |
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[0d0aee1] | 39 | const double term2 = n_aggreg * beta_corona * beta_corona * debye_chain; |
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| 40 | |
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| 41 | // Interference cross-term between core and chains |
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[c915373] | 42 | const double chain_ampl = (qrg2 == 0.0) ? 1.0 : -expm1(-qrg2)/qrg2; |
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[1e7b0db0] | 43 | const double bes_corona = sas_sinx_x(q*(radius_core + d_penetration * rg)); |
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[c3ebc71] | 44 | const double term3 = 2.0 * n_aggreg * n_aggreg * beta_core * beta_corona * |
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[0d0aee1] | 45 | bes_core * chain_ampl * bes_corona; |
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| 46 | |
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| 47 | // Interference cross-term between chains |
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[c3ebc71] | 48 | const double term4 = n_aggreg * (n_aggreg - 1.0) |
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| 49 | * square(beta_corona * chain_ampl * bes_corona); |
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[0d0aee1] | 50 | |
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| 51 | // I(q)_micelle : Sum of 4 terms computed above |
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| 52 | double i_micelle = term1 + term2 + term3 + term4; |
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| 53 | |
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| 54 | // rescale from [A^2] to [cm^2] |
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| 55 | i_micelle *= 1.0e-13; |
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| 56 | |
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| 57 | // "normalize" by number density --> intensity in [cm-1] |
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| 58 | i_micelle *= ndensity; |
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| 59 | |
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| 60 | return(i_micelle); |
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| 61 | |
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| 62 | } |
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| 63 | |
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| 64 | double Iq(double q, |
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| 65 | double ndensity, |
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| 66 | double v_core, |
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| 67 | double v_corona, |
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| 68 | double solvent_sld, |
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| 69 | double core_sld, |
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| 70 | double corona_sld, |
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| 71 | double radius_core, |
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[a807206] | 72 | double rg, |
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[0d0aee1] | 73 | double d_penetration, |
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| 74 | double n_aggreg) |
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| 75 | { |
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| 76 | return micelle_spherical_kernel(q, |
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| 77 | ndensity, |
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| 78 | v_core, |
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| 79 | v_corona, |
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| 80 | solvent_sld, |
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| 81 | core_sld, |
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| 82 | corona_sld, |
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| 83 | radius_core, |
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[a807206] | 84 | rg, |
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[0d0aee1] | 85 | d_penetration, |
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| 86 | n_aggreg); |
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| 87 | } |
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