[02cc1ea] | 1 | #if !defined(spheroidXT_h) |
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| 2 | #define spheroidXT_h |
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| 3 | #include "parameters.hh" |
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| 4 | // RKH 03Apr2014 a re-parametrised model |
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| 5 | |
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| 6 | /** Structure definition for oblate parameters |
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| 7 | * [PYTHONCLASS] = CoreShellEllipsoidXTModel |
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| 8 | * [DISP_PARAMS] = equat_core, X_core, T_shell, XpolarShell,axis_phi, axis_theta |
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| 9 | [DESCRIPTION] = <text>[SpheroidCoreShellModel] Calculates the form factor for an spheroid |
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| 10 | ellipsoid particle with a core_shell structure. |
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| 11 | The form factor is averaged over all possible |
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| 12 | orientations of the ellipsoid such that P(q) |
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| 13 | = scale*<f^2>/Vol + bkg, where f is the |
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| 14 | single particle scattering amplitude. |
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| 15 | [Parameters]: |
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| 16 | equat_core = equatorial radius of core, |
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| 17 | polar_core = polar radius of core = equat_core*X_core, |
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| 18 | equat_shell = equatorial radius of outer surface = equat_core + T_shell, |
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| 19 | polar_shell = polar radius (revolution axis) of outer surface = equat_core*X_core + XpolarShell*T_shell |
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| 20 | sld_core = SLD_core |
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| 21 | sld_shell = SLD_shell |
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| 22 | sld_solvent = SLD_solvent |
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| 23 | background = Incoherent bkg |
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| 24 | scale =scale |
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| 25 | Note:It is the users' responsibility to ensure |
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| 26 | that shell radii are larger than core radii. |
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| 27 | oblate: polar radius < equatorial radius |
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| 28 | prolate : polar radius > equatorial radius - this new model will make this easier |
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| 29 | and polydispersity integrals more logical (as previously the shell could disappear). |
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| 30 | </text> |
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| 31 | |
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| 32 | [FIXED] = <text>equat_core.width;X_core.width; T_shell.width; Xpolarshell.width; axis_phi.width; axis_theta.width</text> |
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| 33 | [ORIENTATION_PARAMS]= <text>axis_phi; axis_theta; axis_phi.width; axis_theta.width</text> |
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| 34 | |
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| 35 | **/ |
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| 36 | |
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| 37 | class CoreShellEllipsoidXTModel{ |
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| 38 | public: |
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| 39 | // Model parameters |
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| 40 | /// Scale factor |
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| 41 | // [DEFAULT]=scale=0.05 |
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| 42 | Parameter scale; |
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| 43 | /// Equatorial radius of core [A] |
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| 44 | // [DEFAULT]=equat_core=20.0 [A] |
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| 45 | Parameter equat_core; |
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| 46 | /// X (polar core)/ (equat_shell) |
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| 47 | // [DEFAULT]=X_core=3.0 |
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| 48 | Parameter X_core; |
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| 49 | /// thickness of equatorial shell [A] |
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| 50 | // [DEFAULT]=T_shell=30.0 [A] |
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| 51 | Parameter T_shell; |
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| 52 | /// ratio (TpolarShell/Tequat_Shell |
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| 53 | // [DEFAULT]=XpolarShell=1.0 |
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| 54 | Parameter XpolarShell; |
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| 55 | /// Core scattering length density [1/A^(2)] |
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| 56 | // [DEFAULT]=sld_core=2.0e-6 [1/A^(2)] |
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| 57 | Parameter sld_core; |
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| 58 | /// Shell scattering length density [1/A^(2)] |
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| 59 | // [DEFAULT]=sld_shell=1.0e-6 [1/A^(2)] |
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| 60 | Parameter sld_shell; |
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| 61 | /// Solvent scattering length density [1/A^(2)] |
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| 62 | // [DEFAULT]=sld_solvent=6.3e-6 [1/A^(2)] |
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| 63 | Parameter sld_solvent; |
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| 64 | /// Incoherent Background [1/cm] 0.001 |
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| 65 | // [DEFAULT]=background=0.001 [1/cm] |
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| 66 | Parameter background; |
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| 67 | //Disable for now |
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| 68 | /// Orientation of the oblate axis w/respect incoming beam [deg] |
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| 69 | // [DEFAULT]=axis_theta=0.0 [deg] |
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| 70 | Parameter axis_theta; |
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| 71 | /// Orientation of the oblate in the plane of the detector [deg] |
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| 72 | // [DEFAULT]=axis_phi=0.0 [deg] |
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| 73 | Parameter axis_phi; |
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| 74 | |
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| 75 | // Constructor |
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| 76 | CoreShellEllipsoidXTModel(); |
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| 77 | |
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| 78 | // Operators to get I(Q) |
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| 79 | double operator()(double q); |
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| 80 | double operator()(double qx, double qy); |
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| 81 | double calculate_ER(); |
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| 82 | double calculate_VR(); |
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| 83 | double evaluate_rphi(double q, double phi); |
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| 84 | }; |
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| 85 | |
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| 86 | #endif |
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