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 radius, |
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5 | double surface_dim, |
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6 | double cutoff_length); |
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7 | |
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8 | double Iqxy(double qx, double qy, |
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9 | double radius, |
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10 | double surface_dim, |
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11 | double cutoff_length); |
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12 | |
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13 | static double _gamln(double q) |
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14 | { |
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15 | // Lanczos approximation to the Gamma function. |
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16 | // Should be refactored out to lib/, if used elsewhere. |
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17 | double x,y,tmp,ser; |
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18 | double coeff[6]= |
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19 | {76.18009172947146, -86.50532032941677, |
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20 | 24.01409824083091, -1.231739572450155, |
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21 | 0.1208650973866179e-2,-0.5395239384953e-5}; |
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22 | int j; |
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23 | |
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24 | y=x=q; |
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25 | tmp = x+5.5; |
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26 | tmp -= (x+0.5)*log(tmp); |
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27 | ser = 1.000000000190015; |
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28 | for (j=0; j<=5; j++) { |
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29 | y+=1.0; |
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30 | ser += coeff[j]/y; |
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31 | } |
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32 | return -tmp+log(2.5066282746310005*ser/x); |
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33 | } |
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34 | |
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35 | static double _surface_fractal_kernel(double q, |
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36 | double radius, |
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37 | double surface_dim, |
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38 | double cutoff_length) |
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39 | { |
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40 | double pq, sq, mmo, result; |
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41 | |
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42 | //Replaced the original formula with Taylor expansion near zero. |
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43 | //pq = pow((3.0*(sin(q*radius) - q*radius*cos(q*radius))/pow((q*radius),3)),2); |
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44 | |
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45 | pq = J1c(q*radius); |
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46 | pq = pq*pq; |
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47 | |
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48 | //calculate S(q) |
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49 | mmo = 5.0 - surface_dim; |
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50 | sq = exp(_gamln(mmo))*sin(-(mmo)*atan(q*cutoff_length)); |
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51 | sq *= pow(cutoff_length, mmo); |
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52 | sq /= pow((1.0 + (q*cutoff_length)*(q*cutoff_length)),(mmo/2.0)); |
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53 | sq /= q; |
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54 | |
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55 | //combine and return |
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56 | result = pq * sq; |
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57 | |
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58 | return result; |
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59 | } |
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60 | double form_volume(double radius){ |
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61 | |
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62 | return 1.333333333333333*M_PI*radius*radius*radius; |
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63 | } |
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64 | |
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65 | double Iq(double q, |
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66 | double radius, |
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67 | double surface_dim, |
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68 | double cutoff_length |
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69 | ) |
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70 | { |
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71 | return _surface_fractal_kernel(q, radius, surface_dim, cutoff_length); |
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72 | } |
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73 | |
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74 | // Iqxy is never called since no orientation or magnetic parameters. |
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75 | double Iqxy(double qx, double qy, |
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76 | double radius, |
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77 | double surface_dim, |
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78 | double cutoff_length) |
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79 | { |
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80 | double q = sqrt(qx*qx + qy*qy); |
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81 | return _surface_fractal_kernel(q, radius, surface_dim, cutoff_length); |
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82 | } |
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83 | |
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