Ignore:
Timestamp:
Aug 3, 2009 5:41:22 PM (15 years ago)
Author:
Jae Cho <jhjcho@…>
Branches:
master, ESS_GUI, ESS_GUI_Docs, ESS_GUI_batch_fitting, ESS_GUI_bumps_abstraction, ESS_GUI_iss1116, ESS_GUI_iss879, ESS_GUI_iss959, ESS_GUI_opencl, ESS_GUI_ordering, ESS_GUI_sync_sascalc, costrafo411, magnetic_scatt, release-4.1.1, release-4.1.2, release-4.2.2, release_4.0.1, ticket-1009, ticket-1094-headless, ticket-1242-2d-resolution, ticket-1243, ticket-1249, ticket885, unittest-saveload
Children:
e6fa43e
Parents:
2a1be2d9
Message:

done corrections and 2d extension on this model function

Location:
sansmodels/src/sans/models/c_extensions
Files:
2 edited

Legend:

Unmodified
Added
Removed
  • sansmodels/src/sans/models/c_extensions/flexible_cylinder.c

    r5068697 rea07075  
    1919double flexible_cylinder_analytical_1D(FlexibleCylinderParameters *pars, double q) { 
    2020        double dp[6]; 
    21          
     21 
    2222        // Fill paramater array 
    2323        dp[0] = pars->scale; 
     
    2929 
    3030        // Call library function to evaluate model 
    31         return FlexExclVolCyl(dp, q);    
     31        return FlexExclVolCyl(dp, q); 
    3232} 
    3333/** 
     
    4040        double q; 
    4141        q = sqrt(qx*qx+qy*qy); 
    42     return flexible_cylinder_analytical_2D_scaled(pars, q, qx/q, qy/q); 
    43 }  
     42    return flexible_cylinder_analytical_1D(pars, q); 
     43} 
    4444 
    4545 
     
    5252 */ 
    5353double flexible_cylinder_analytical_2D(FlexibleCylinderParameters *pars, double q, double phi) { 
    54     return flexible_cylinder_analytical_2D_scaled(pars, q, cos(phi), sin(phi)); 
    55 }  
    56          
    57 /** 
    58  * Function to evaluate 2D scattering function 
    59  * @param pars: parameters of the flexible cylinder 
    60  * @param q: q-value 
    61  * @param q_x: q_x / q 
    62  * @param q_y: q_y / q 
    63  * @return: function value 
    64  */ 
    65 double flexible_cylinder_analytical_2D_scaled(FlexibleCylinderParameters *pars, double q, double q_x, double q_y) { 
    66         double cyl_x, cyl_y, cyl_z; 
    67         double q_z; 
    68         double alpha, vol, cos_val; 
    69         double answer; 
    70          
    71          
     54    return flexible_cylinder_analytical_1D(pars, q); 
     55} 
    7256 
    73     // parallelepiped orientation 
    74     cyl_x = sin(pars->axis_theta) * cos(pars->axis_phi); 
    75     cyl_y = sin(pars->axis_theta) * sin(pars->axis_phi); 
    76     cyl_z = cos(pars->axis_theta); 
    77       
    78     // q vector 
    79     q_z = 0; 
    80          
    81     // Compute the angle btw vector q and the 
    82     // axis of the parallelepiped 
    83     cos_val = cyl_x*q_x + cyl_y*q_y + cyl_z*q_z; 
    84      
    85     // The following test should always pass 
    86     if (fabs(cos_val)>1.0) { 
    87         printf("parallel_ana_2D: Unexpected error: cos(alpha)>1\n"); 
    88         return 0; 
    89     } 
    90      
    91     // Note: cos(alpha) = 0 and 1 will get an 
    92     // undefined value from PPKernel 
    93         alpha = acos( cos_val ); 
    9457 
    95         // Call the IGOR library function to get the kernel 
    96         answer = CylKernel(q, pars->radius, pars->length/2.0, alpha) / sin(alpha); 
    97          
    98         // Multiply by contrast^2 
    99         answer *= pars->contrast*pars->contrast; 
    100          
    101         //normalize by cylinder volume 
    102         //NOTE that for this (Fournet) definition of the integral, one must MULTIPLY by Vparallel 
    103     vol = acos(-1.0) * pars->radius * pars->radius * pars->length; 
    104         answer *= vol; 
    105          
    106         //convert to [cm-1] 
    107         answer *= 1.0e8; 
    108          
    109         //Scale 
    110         answer *= pars->scale; 
    111          
    112         // add in the background 
    113         answer += pars->background; 
    114          
    115         return answer; 
    116 } 
    117      
    118  
  • sansmodels/src/sans/models/c_extensions/flexible_cylinder.h

    r5068697 rea07075  
    77/** Structure definition for Flexible cylinder parameters 
    88 * [PYTHONCLASS] = FlexibleCylinderModel 
    9  * [DISP_PARAMS] = length, radius, axis_theta, axis_phi 
    10    [DESCRIPTION] = <text> Note : scale and contrast are both multiplicative factors in the model and are perfectly 
    11                         correlated. One or both of these parameters must be held fixed during model fitting. 
     9 * [DISP_PARAMS] = length, kuhn_length, radius 
     10   [DESCRIPTION] = <text> Note : 'scale' and 'contrast' are both multiplicative factors in the 
     11                model and are perfectly correlated. One or 
     12                both of these parameters must be held fixed 
     13                during model fitting. 
    1214                </text> 
    13         [FIXED]= <text>length.width; radius.width; axis_theta.width; axis_phi.width</text> 
    14         [ORIENTATION_PARAMS]= <text>axis_phi; axis_theta; axis_phi.width; axis_theta.width</text> 
     15        [FIXED]= <text>length.width; radius.width; , kuhn_length.width</text> 
     16        [ORIENTATION_PARAMS]= <text></text> 
    1517 
    1618 
     
    3234    //  [DEFAULT]=contrast=5.3e-6 [1/A²] 
    3335    double contrast; 
    34         /// Incoherent Background [1/cm]  
     36        /// Incoherent Background [1/cm] 
    3537        //  [DEFAULT]=background=0.0001 [1/cm] 
    3638        double background; 
    37     /// Orientation of the flexible cylinder axis w/respect incoming beam [rad] 
    38     //  [DEFAULT]=axis_theta=1.0 [rad] 
    39     double axis_theta; 
    40     /// Orientation of the flexible cylinder in the plane of the detector [rad] 
    41     //  [DEFAULT]=axis_phi=1.0 [rad] 
    42     double axis_phi; 
    4339 
    4440 
     
    5349double flexible_cylinder_analytical_2D(FlexibleCylinderParameters *pars, double q, double phi); 
    5450double flexible_cylinder_analytical_2DXY(FlexibleCylinderParameters *pars, double qx, double qy); 
    55 double flexible_cylinder_analytical_2D_scaled(FlexibleCylinderParameters *pars, double q, double q_x, double q_y); 
    5651 
    5752#endif 
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