ticket-1257-vesicle-productticket_1156ticket_822_more_unit_tests
Last change
on this file since 830cf6b 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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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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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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19 | int n_shells) |
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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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31 | voli = M_4PI_3*ri*ri*ri; |
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32 | fval += voli*sldi*sas_3j1x_x(ri*q); |
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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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37 | voli = M_4PI_3*ri*ri*ri; |
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38 | fval -= voli*sldi*sas_3j1x_x(ri*q); |
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39 | |
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40 | //do 2 layers at a time |
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41 | ii++; |
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42 | |
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43 | } while(ii <= n_shells-1); //change to make 0 < n_shells < 2 correspond to |
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44 | //unilamellar vesicles (C. Glinka, 11/24/03) |
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45 | |
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46 | return fval; // Volume normalization happens in caller |
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47 | } |
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48 | |
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49 | static double |
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50 | radius_effective(int mode, double radius, double thick_shell, double thick_solvent, double fp_n_shells) |
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51 | { |
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52 | // case 1: outer radius |
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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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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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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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66 | double fp_n_shells) |
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67 | { |
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68 | int n_shells = (int)(fp_n_shells + 0.5); |
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69 | const double fq = multilayer_vesicle_kernel(q, |
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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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75 | n_shells); |
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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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79 | } |
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80 | |
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