1 | #if !defined(spheroid_h) |
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2 | #define spheroid_h |
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3 | #include "parameters.hh" |
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4 | |
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5 | /** Structure definition for oblate parameters |
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6 | * [PYTHONCLASS] = CoreShellEllipsoidModel |
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7 | * [DISP_PARAMS] = equat_core, polar_core, equat_shell,polar_shell,axis_phi, axis_theta |
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8 | [DESCRIPTION] = <text>[SpheroidCoreShellModel] Calculates the form factor for an spheroid |
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9 | ellipsoid particle with a core_shell structure. |
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10 | The form factor is averaged over all possible |
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11 | orientations of the ellipsoid such that P(q) |
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12 | = scale*<f^2>/Vol + bkg, where f is the |
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13 | single particle scattering amplitude. |
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14 | [Parameters]: |
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15 | equat_core = equatorial radius of core, |
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16 | polar_core = polar radius of core, |
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17 | equat_shell = equatorial radius of shell, |
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18 | polar_shell = polar radius (revolution axis) of shell, |
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19 | sld_core = SLD_core |
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20 | sld_shell = SLD_shell |
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21 | sld_solvent = SLD_solvent |
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22 | background = Incoherent bkg |
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23 | scale =scale |
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24 | Note:It is the users' responsibility to ensure |
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25 | that shell radii are larger than core radii. |
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26 | oblate: polar radius < equatorial radius |
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27 | prolate : polar radius > equatorial radius |
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28 | </text> |
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29 | |
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30 | [FIXED] = <text>equat_core.width;polar_core.width; equat_shell.width; polar_shell.width; axis_phi.width; axis_theta.width</text> |
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31 | [ORIENTATION_PARAMS]= <text>axis_phi; axis_theta; axis_phi.width; axis_theta.width</text> |
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32 | |
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33 | **/ |
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34 | |
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35 | class CoreShellEllipsoidModel{ |
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36 | public: |
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37 | // Model parameters |
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38 | /// Scale factor |
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39 | // [DEFAULT]=scale=1.0 |
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40 | Parameter scale; |
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41 | /// Equatorial radius of core [A] |
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42 | // [DEFAULT]=equat_core=200.0 [A] |
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43 | Parameter equat_core; |
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44 | /// Polar radius of core [A] |
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45 | // [DEFAULT]=polar_core=20.0 [A] |
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46 | Parameter polar_core; |
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47 | /// equatorial radius of shell [A] |
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48 | // [DEFAULT]=equat_shell=250.0 [A] |
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49 | Parameter equat_shell; |
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50 | /// polar radius of shell [A] |
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51 | // [DEFAULT]=polar_shell=30.0 [A] |
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52 | Parameter polar_shell; |
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53 | /// Core scattering length density [1/A^(2)] |
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54 | // [DEFAULT]=sld_core=2.0e-6 [1/A^(2)] |
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55 | Parameter sld_core; |
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56 | /// Shell scattering length density [1/A^(2)] |
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57 | // [DEFAULT]=sld_shell=1.0e-6 [1/A^(2)] |
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58 | Parameter sld_shell; |
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59 | /// Solvent scattering length density [1/A^(2)] |
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60 | // [DEFAULT]=sld_solvent=6.3e-6 [1/A^(2)] |
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61 | Parameter sld_solvent; |
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62 | /// Incoherent Background [1/cm] 0.001 |
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63 | // [DEFAULT]=background=0.001 [1/cm] |
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64 | Parameter background; |
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65 | //Disable for now |
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66 | /// Orientation of the oblate axis w/respect incoming beam [deg] |
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67 | // [DEFAULT]=axis_theta=0.0 [deg] |
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68 | Parameter axis_theta; |
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69 | /// Orientation of the oblate in the plane of the detector [deg] |
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70 | // [DEFAULT]=axis_phi=0.0 [deg] |
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71 | Parameter axis_phi; |
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72 | |
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73 | // Constructor |
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74 | CoreShellEllipsoidModel(); |
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75 | |
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76 | // Operators to get I(Q) |
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77 | double operator()(double q); |
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78 | double operator()(double qx, double qy); |
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79 | double calculate_ER(); |
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80 | double calculate_VR(); |
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81 | double evaluate_rphi(double q, double phi); |
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82 | }; |
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83 | |
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84 | #endif |
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