core_shell_microgelscostrafo411magnetic_modelticket-1257-vesicle-productticket_1156ticket_1265_superballticket_822_more_unit_tests
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Last change
on this file since ec1d4bc was
ec1d4bc,
checked in by Paul Kienzle <pkienzle@…>, 7 years ago
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fix multilayer vesicle polydispersity, docs and parameter names
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-
Property mode set to
100644
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File size:
1.7 KB
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| Rev | Line | |
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| [ec1d4bc] | 1 | static double |
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| 2 | form_volume(double radius, |
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| 3 | double thick_shell, |
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| 4 | double thick_solvent, |
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| 5 | double fp_n_shells) |
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| 6 | { |
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| 7 | int n_shells = (int)(fp_n_shells + 0.5); |
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| 8 | double R_N = radius + n_shells*(thick_shell+thick_solvent) - thick_solvent; |
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| 9 | return M_4PI_3*cube(R_N); |
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| 10 | } |
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| 11 | |
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| 12 | static double |
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| 13 | multilayer_vesicle_kernel(double q, |
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| [c6ca41e] | 14 | double volfraction, |
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| 15 | double radius, |
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| 16 | double thick_shell, |
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| 17 | double thick_solvent, |
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| 18 | double sld_solvent, |
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| 19 | double sld, |
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| [ec1d4bc] | 20 | int n_shells) |
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| [c6ca41e] | 21 | { |
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| 22 | //calculate with a loop, two shells at a time |
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| 23 | int ii = 0; |
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| 24 | double fval = 0.0; |
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| 25 | double voli = 0.0; |
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| 26 | const double sldi = sld_solvent-sld; |
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| 27 | |
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| 28 | do { |
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| 29 | double ri = radius + (double)ii*(thick_shell + thick_solvent); |
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| 30 | |
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| 31 | // layer 1 |
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| [3a48772] | 32 | voli = M_4PI_3*ri*ri*ri; |
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| [925ad6e] | 33 | fval += voli*sldi*sas_3j1x_x(ri*q); |
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| [c6ca41e] | 34 | |
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| 35 | ri += thick_shell; |
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| 36 | |
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| 37 | // layer 2 |
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| [3a48772] | 38 | voli = M_4PI_3*ri*ri*ri; |
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| [925ad6e] | 39 | fval -= voli*sldi*sas_3j1x_x(ri*q); |
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| [c6ca41e] | 40 | |
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| 41 | //do 2 layers at a time |
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| [ec1d4bc] | 42 | ii++; |
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| [c6ca41e] | 43 | |
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| [ec1d4bc] | 44 | } while(ii <= n_shells-1); //change to make 0 < n_shells < 2 correspond to |
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| [c6ca41e] | 45 | //unilamellar vesicles (C. Glinka, 11/24/03) |
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| 46 | |
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| [ec1d4bc] | 47 | return 1.0e-4*volfraction*fval*fval; // Volume normalization happens in caller |
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| [c6ca41e] | 48 | } |
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| 49 | |
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| [ec1d4bc] | 50 | static double |
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| 51 | Iq(double q, |
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| [c6ca41e] | 52 | double volfraction, |
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| 53 | double radius, |
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| 54 | double thick_shell, |
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| 55 | double thick_solvent, |
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| 56 | double sld_solvent, |
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| 57 | double sld, |
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| [ec1d4bc] | 58 | double fp_n_shells) |
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| [c6ca41e] | 59 | { |
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| [ec1d4bc] | 60 | int n_shells = (int)(fp_n_shells + 0.5); |
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| [c6ca41e] | 61 | return multilayer_vesicle_kernel(q, |
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| 62 | volfraction, |
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| 63 | radius, |
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| 64 | thick_shell, |
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| 65 | thick_solvent, |
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| 66 | sld_solvent, |
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| 67 | sld, |
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| [ec1d4bc] | 68 | n_shells); |
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| [c6ca41e] | 69 | } |
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| 70 | |
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