1 | #if !defined(triaxial_ellipsoid_h) |
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2 | #define triaxial_ellipsoid_h |
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3 | /** Structure definition for cylinder parameters |
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4 | * [PYTHONCLASS] = TriaxialEllipsoidModel |
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5 | * [DISP_PARAMS] = axis_theta, axis_phi, axis_psi |
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6 | [DESCRIPTION] = <text>Note: During fitting ensure that the inequality A<B<C is not |
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7 | violated. Otherwise the calculation will |
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8 | not be correct. |
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9 | </text> |
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10 | [FIXED]= <text>axis_psi.width; axis_phi.width; axis_theta.width; semi_axisA.width; semi_axisB.width; semi_axisC.width </text> |
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11 | [ORIENTATION_PARAMS]= <text>axis_psi; axis_phi; axis_theta; axis_psi.width; axis_phi.width; axis_theta.width</text> |
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12 | **/ |
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13 | typedef struct { |
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14 | /// Scale factor |
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15 | // [DEFAULT]=scale=1.0 |
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16 | double scale; |
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17 | /// semi -axis A of the triaxial_ellipsoid [A] |
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18 | // [DEFAULT]=semi_axisA= 35.0 [A] |
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19 | double semi_axisA; |
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20 | /// semi -axis B of the triaxial_ellipsoid [A] |
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21 | // [DEFAULT]=semi_axisB=100.0 [A] |
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22 | double semi_axisB; |
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23 | /// semi -axis C of the triaxial_ellipsoid [A] |
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24 | // [DEFAULT]=semi_axisC=400.0 [A] |
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25 | double semi_axisC; |
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26 | /// sldEll [1/A^(2)] |
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27 | // [DEFAULT]=sldEll=1.0e-6 [1/A^(2)] |
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28 | double sldEll; |
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29 | /// sldSolv [1/A^(2)] |
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30 | // [DEFAULT]=sldSolv=6.3e-6 [1/A^(2)] |
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31 | double sldSolv; |
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32 | /// Incoherent Background [1/cm] 0.00 |
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33 | // [DEFAULT]=background=0.0 [1/cm] |
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34 | double background; |
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35 | /// Orientation of the triaxial_ellipsoid axis w/respect incoming beam [rad] |
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36 | // [DEFAULT]=axis_theta=1.0 [rad] |
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37 | double axis_theta; |
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38 | /// Orientation of the triaxial_ellipsoid in the plane of the detector [rad] |
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39 | // [DEFAULT]=axis_phi=1.0 [rad] |
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40 | double axis_phi; |
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41 | /// Orientation of the cross section of the triaxial_ellipsoid in the plane of the detector [rad] |
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42 | // [DEFAULT]=axis_psi=0.0 [rad] |
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43 | double axis_psi; |
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44 | |
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45 | } TriaxialEllipsoidParameters; |
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46 | |
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47 | |
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48 | |
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49 | /// 1D scattering function |
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50 | double triaxial_ellipsoid_analytical_1D(TriaxialEllipsoidParameters *pars, double q); |
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51 | |
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52 | /// 2D scattering function |
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53 | double triaxial_ellipsoid_analytical_2D(TriaxialEllipsoidParameters *pars, double q, double phi); |
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54 | double triaxial_ellipsoid_analytical_2DXY(TriaxialEllipsoidParameters *pars, double qx, double qy); |
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55 | double triaxial_ellipsoid_analytical_2D_scaled(TriaxialEllipsoidParameters *pars, double q, double q_x, double q_y); |
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56 | |
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57 | #endif |
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