core_shell_microgelscostrafo411magnetic_modelticket-1257-vesicle-productticket_1156ticket_1265_superballticket_822_more_unit_tests
Last change
on this file since 41b1edd was
e9b0ef3,
checked in by Paul Kienzle <pkienzle@…>, 8 years ago
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round to nearest number of pearls; tweak equation format; limit to at least one pearl
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-
Property mode set to
100644
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File size:
2.0 KB
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1 | double form_volume(double radius, double num_pearls); |
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2 | |
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3 | double Iq(double q, |
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4 | double radius, |
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5 | double edge_sep, |
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6 | double fp_num_pearls, |
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7 | double pearl_sld, |
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8 | double solvent_sld); |
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9 | |
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10 | double linear_pearls_kernel(double q, |
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11 | double radius, |
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12 | double edge_sep, |
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13 | int num_pearls, |
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14 | double pearl_sld, |
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15 | double solvent_sld); |
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16 | |
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17 | |
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18 | double form_volume(double radius, double fp_num_pearls) |
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19 | { |
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20 | int num_pearls = (int)(fp_num_pearls + 0.5); |
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21 | // Pearl volume |
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22 | double pearl_vol = M_4PI_3 * cube(radius); |
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23 | // Return total volume |
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24 | return num_pearls * pearl_vol;; |
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25 | } |
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26 | |
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27 | double linear_pearls_kernel(double q, |
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28 | double radius, |
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29 | double edge_sep, |
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30 | int num_pearls, |
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31 | double pearl_sld, |
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32 | double solvent_sld) |
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33 | { |
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34 | //relative sld |
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35 | double contrast_pearl = pearl_sld - solvent_sld; |
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36 | //each volume |
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37 | double pearl_vol = M_4PI_3 * cube(radius); |
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38 | //total volume |
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39 | double tot_vol = num_pearls * pearl_vol; |
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40 | //mass |
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41 | double m_s = contrast_pearl * pearl_vol; |
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42 | //center to center distance between the neighboring pearls |
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43 | double separation = edge_sep + 2.0 * radius; |
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44 | |
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45 | //sine functions of a pearl |
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46 | double psi = sph_j1c(q * radius); |
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47 | |
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48 | // N pearls contribution |
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49 | double n_contrib = (double)num_pearls; |
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50 | for(int num=1; num<num_pearls; num++) { |
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51 | n_contrib += 2.0*(num_pearls-num)*sinc(q*separation*num); |
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52 | } |
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53 | // form factor for num_pearls |
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54 | double form_factor = 1.0e-4 * n_contrib * square(m_s*psi) / tot_vol; |
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55 | |
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56 | return form_factor; |
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57 | } |
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58 | |
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59 | double Iq(double q, |
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60 | double radius, |
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61 | double edge_sep, |
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62 | double fp_num_pearls, |
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63 | double pearl_sld, |
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64 | double solvent_sld) |
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65 | { |
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66 | |
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67 | int num_pearls = (int)(fp_num_pearls + 0.5); |
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68 | double result = linear_pearls_kernel(q, |
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69 | radius, |
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70 | edge_sep, |
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71 | num_pearls, |
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72 | pearl_sld, |
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73 | solvent_sld); |
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74 | |
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75 | return result; |
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76 | } |
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