1 | #if !defined(barbell_h) |
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2 | #define barbell_h |
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3 | #include "parameters.hh" |
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4 | /** |
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5 | * Structure definition for BarBell parameters |
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6 | */ |
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7 | //[PYTHONCLASS] = BarBellModel |
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8 | //[DISP_PARAMS] = rad_bar,len_bar,rad_bell,phi, theta |
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9 | //[DESCRIPTION] =<text>Calculates the scattering from a barbell-shaped cylinder. That is |
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10 | // a sphereocylinder with spherical end caps |
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11 | // that have a radius larger than that of |
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12 | // the cylinder and the center of the end cap |
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13 | // radius lies outside of the cylinder. |
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14 | // Note: As the length of cylinder(bar) -->0, |
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15 | // it becomes a dumbbell. |
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16 | // And when rad_bar = rad_bell, |
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17 | // it is a spherocylinder. |
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18 | // It must be that rad_bar <(=) rad_bell. |
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19 | // [Parameters]; |
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20 | // scale: volume fraction of spheres, |
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21 | // background:incoherent background, |
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22 | // rad_bar: radius of the cylindrical bar, |
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23 | // len_bar: length of the cylindrical bar, |
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24 | // rad_bell: radius of the spherical bell, |
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25 | // sld_barbell: SLD of the barbell, |
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26 | // sld_solv: SLD of the solvent. |
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27 | // </text> |
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28 | //[FIXED]= rad_bar.width;len_bar;rad_bell;phi.width; theta.width |
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29 | //[ORIENTATION_PARAMS]= <text> phi; theta; phi.width; theta.width</text> |
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30 | |
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31 | class BarBellModel { |
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32 | public: |
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33 | // Model parameters |
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34 | |
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35 | /// Scale factor |
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36 | // [DEFAULT]=scale= 1.0 |
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37 | Parameter scale; |
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38 | |
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39 | /// rad_bar [A] |
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40 | // [DEFAULT]=rad_bar=20.0 [A] |
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41 | Parameter rad_bar; |
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42 | |
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43 | /// length of the bar [A] |
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44 | // [DEFAULT]=len_bar=400.0 [A] |
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45 | Parameter len_bar; |
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46 | |
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47 | /// Radius of sphere [A] |
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48 | // [DEFAULT]=rad_bell=40.0 [A] |
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49 | Parameter rad_bell; |
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50 | |
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51 | /// sld_barbell [1/A^(2)] |
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52 | // [DEFAULT]=sld_barbell= 1.0e-6 [1/A^(2)] |
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53 | Parameter sld_barbell; |
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54 | |
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55 | /// sld_solv [1/A^(2)] |
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56 | // [DEFAULT]=sld_solv= 6.3e-6 [1/A^(2)] |
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57 | Parameter sld_solv; |
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58 | |
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59 | /// Incoherent Background [1/cm] |
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60 | // [DEFAULT]=background=0.0 [1/cm] |
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61 | Parameter background; |
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62 | |
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63 | /// Angle of the main axis against z-axis in detector plane [deg] |
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64 | // [DEFAULT]=theta=0.0 [deg] |
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65 | Parameter theta; |
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66 | |
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67 | /// Azimuthal angle around z-axis in detector plane [deg] |
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68 | // [DEFAULT]=phi=0.0 [deg] |
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69 | Parameter phi; |
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70 | |
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71 | // Constructor |
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72 | BarBellModel(); |
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73 | |
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74 | // Operators to get I(Q) |
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75 | double operator()(double q); |
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76 | double operator()(double qx, double qy); |
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77 | double calculate_ER(); |
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78 | double evaluate_rphi(double q, double phi); |
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79 | }; |
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80 | |
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81 | #endif |
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