ticket-1257-vesicle-productticket_1156ticket_822_more_unit_tests
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Last change
on this file since a34b811 was
a34b811,
checked in by Paul Kienzle <pkienzle@…>, 5 years ago
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use radius_effective/radius_effective_mode/radius_effective_modes consistently throughout the code
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-
Property mode set to
100644
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File size:
2.1 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 radius, |
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| 15 | double thick_shell, |
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| 16 | double thick_solvent, |
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| 17 | double sld_solvent, |
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| 18 | double sld, |
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| [ec1d4bc] | 19 | int n_shells) |
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| [c6ca41e] | 20 | { |
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| 21 | //calculate with a loop, two shells at a time |
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| 22 | int ii = 0; |
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| 23 | double fval = 0.0; |
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| 24 | double voli = 0.0; |
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| 25 | const double sldi = sld_solvent-sld; |
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| 26 | |
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| 27 | do { |
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| 28 | double ri = radius + (double)ii*(thick_shell + thick_solvent); |
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| 29 | |
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| 30 | // layer 1 |
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| [3a48772] | 31 | voli = M_4PI_3*ri*ri*ri; |
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| [925ad6e] | 32 | fval += voli*sldi*sas_3j1x_x(ri*q); |
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| [c6ca41e] | 33 | |
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| 34 | ri += thick_shell; |
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| 35 | |
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| 36 | // layer 2 |
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| [3a48772] | 37 | voli = M_4PI_3*ri*ri*ri; |
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| [925ad6e] | 38 | fval -= voli*sldi*sas_3j1x_x(ri*q); |
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| [c6ca41e] | 39 | |
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| 40 | //do 2 layers at a time |
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| [ec1d4bc] | 41 | ii++; |
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| [c6ca41e] | 42 | |
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| [ec1d4bc] | 43 | } while(ii <= n_shells-1); //change to make 0 < n_shells < 2 correspond to |
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| [c6ca41e] | 44 | //unilamellar vesicles (C. Glinka, 11/24/03) |
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| 45 | |
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| [71b751d] | 46 | return fval; // Volume normalization happens in caller |
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| [c6ca41e] | 47 | } |
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| 48 | |
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| [d277229] | 49 | static double |
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| [a34b811] | 50 | radius_effective(int mode, double radius, double thick_shell, double thick_solvent, double fp_n_shells) |
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| [d277229] | 51 | { |
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| [ee60aa7] | 52 | // case 1: outer radius |
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| [d277229] | 53 | return radius + fp_n_shells*thick_shell + (fp_n_shells - 1.0)*thick_solvent; |
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| 54 | } |
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| 55 | |
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| [71b751d] | 56 | static void |
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| 57 | Fq(double q, |
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| 58 | double *F1, |
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| 59 | double *F2, |
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| [c6ca41e] | 60 | double volfraction, |
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| 61 | double radius, |
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| 62 | double thick_shell, |
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| 63 | double thick_solvent, |
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| 64 | double sld_solvent, |
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| 65 | double sld, |
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| [ec1d4bc] | 66 | double fp_n_shells) |
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| [c6ca41e] | 67 | { |
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| [ec1d4bc] | 68 | int n_shells = (int)(fp_n_shells + 0.5); |
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| [71b751d] | 69 | const double fq = multilayer_vesicle_kernel(q, |
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| [c6ca41e] | 70 | radius, |
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| 71 | thick_shell, |
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| 72 | thick_solvent, |
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| 73 | sld_solvent, |
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| 74 | sld, |
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| [ec1d4bc] | 75 | n_shells); |
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| [71b751d] | 76 | // See comment in vesicle.c regarding volfraction normalization. |
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| 77 | *F1 = 1.0e-2 * sqrt(volfraction)*fq; |
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| 78 | *F2 = 1.0e-4 * volfraction*fq*fq; |
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| [c6ca41e] | 79 | } |
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| 80 | |
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