core_shell_microgelscostrafo411magnetic_modelrelease_v0.94release_v0.95ticket-1257-vesicle-productticket_1156ticket_1265_superballticket_822_more_unit_tests
Last change
on this file since e481a39 was
12dbc90,
checked in by butler, 8 years ago
|
fractal model converted and docs checked
|
-
Property mode set to
100644
|
File size:
2.2 KB
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Rev | Line | |
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[12dbc90] | 1 | double form_volume(double radius); |
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| 2 | |
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| 3 | double Iq(double q, |
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| 4 | double volfraction, |
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| 5 | double radius, |
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| 6 | double fractal_dim, |
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| 7 | double cor_length, |
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| 8 | double sld_block, |
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| 9 | double sld_solvent); |
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| 10 | |
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| 11 | double Iqxy(double qx, double qy, |
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| 12 | double volfraction, |
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| 13 | double radius, |
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| 14 | double fractal_dim, |
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| 15 | double cor_length, |
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| 16 | double sld_block, |
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| 17 | double sld_solvent); |
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| 18 | |
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| 19 | |
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| 20 | double Iq(double q, |
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| 21 | double volfraction, |
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| 22 | double radius, |
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| 23 | double fractal_dim, |
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| 24 | double cor_length, |
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| 25 | double sld_block, |
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| 26 | double sld_solvent) |
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| 27 | { |
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| 28 | double qr,r0,Df,corr,phi,sldp,sldm; |
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| 29 | double pq,sq,inten; |
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| 30 | |
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| 31 | // Actively check the argument - needed for mass fractal - is it needie |
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| 32 | //here? |
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| 33 | if (fractal_dim <= 0.0){ |
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| 34 | return 0.0; |
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| 35 | } |
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| 36 | |
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| 37 | phi = volfraction; // volume fraction of building block spheres... |
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| 38 | r0 = radius; // radius of building block |
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| 39 | Df = fractal_dim; // fractal dimension |
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| 40 | corr = cor_length; // correlation length of fractal-like aggregates |
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| 41 | sldp = sld_block; // SLD of building block |
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| 42 | sldm = sld_solvent; // SLD of matrix or solution |
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| 43 | |
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| 44 | qr=q*r0; |
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| 45 | |
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| 46 | //calculate P(q) for the spherical subunits |
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| 47 | pq = phi*M_4PI_3*r0*r0*r0*(sldp-sldm)*(sldp-sldm)*sph_j1c(qr)*sph_j1c(qr); |
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| 48 | |
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| 49 | //calculate S(q) |
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| 50 | sq = Df*sas_gamma(Df-1.0)*sin((Df-1.0)*atan(q*corr)); |
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| 51 | sq /= pow(qr,Df) * pow((1.0 + 1.0/(q*corr)/(q*corr)),((Df-1.0)/2.0)); |
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| 52 | sq += 1.0; |
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| 53 | |
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| 54 | //combine, scale to units cm-1 sr-1 (assuming data on absolute scale) |
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| 55 | //and return |
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| 56 | inten = pq*sq; |
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| 57 | // convert I(1/A) to (1/cm) |
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| 58 | inten *= 1.0e8; |
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| 59 | //convert rho^2 in 10^-6 1/A to 1/A |
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| 60 | inten *= 1.0e-12; |
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| 61 | |
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| 62 | |
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| 63 | return(inten); |
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| 64 | } |
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| 65 | |
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| 66 | |
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| 67 | // Iqxy is never called since no orientation or magnetic parameters. |
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| 68 | double Iqxy(double qx, double qy, |
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| 69 | double volfraction, |
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| 70 | double radius, |
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| 71 | double fractal_dim, |
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| 72 | double cor_length, |
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| 73 | double sld_block, |
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| 74 | double sld_solvent) |
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| 75 | { |
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| 76 | double q = sqrt(qx*qx + qy*qy); |
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| 77 | return Iq(q, |
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| 78 | volfraction, radius, |
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| 79 | fractal_dim, cor_length, |
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| 80 | sld_block, sld_solvent); |
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| 81 | |
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| 82 | } |
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| 83 | |
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