Ignore:
Timestamp:
Aug 18, 2009 11:56:49 AM (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:
eddff027
Parents:
7d11b81
Message:

fixed problems in 2d

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

Legend:

Unmodified
Added
Removed

  • sansmodels/src/sans/models/c_extensions/parallelepiped.c

    r2cb89e7 r3c102d4  
    9898 */ 
    9999double parallelepiped_analytical_2D_scaled(ParallelepipedParameters *pars, double q, double q_x, double q_y) { 
    100         double cparallel_x, cparallel_y, cparallel_z, bparallel_x, bparallel_y, parallel_x, parallel_y, parallel_z; 
     100        double parallel_x, parallel_y, parallel_z; 
    101101        double q_z; 
    102102        double alpha, vol, cos_val_c, cos_val_b, cos_val_a, edgeA, edgeB, edgeC; 
    … …  
    111111 
    112112    // parallelepiped c axis orientation 
    113     cparallel_x = sin(pars->parallel_theta) * cos(pars->parallel_phi); 
    114     cparallel_y = sin(pars->parallel_theta) * sin(pars->parallel_phi); 
    115     cparallel_z = cos(pars->parallel_theta); 
     113    parallel_x = sin(pars->parallel_theta) * cos(pars->parallel_phi); 
     114    parallel_y = sin(pars->parallel_theta) * sin(pars->parallel_phi); 
     115    parallel_z = cos(pars->parallel_theta); 
    116116 
    117117    // q vector 
    … …  
    120120    // Compute the angle btw vector q and the 
    121121    // axis of the parallelepiped 
    122     cos_val_c = cparallel_x*q_x + cparallel_y*q_y + cparallel_z*q_z; 
     122    cos_val_c = parallel_x*q_x + parallel_y*q_y + parallel_z*q_z; 
    123123    alpha = acos(cos_val_c); 
    124124 
    … …  
    126126    parallel_x = -(1-sin(pars->parallel_theta)*sin(pars->parallel_phi))*sin(pars->parallel_psi);//cos(pars->parallel_theta) * sin(pars->parallel_phi)*sin(pars->parallel_psi); 
    127127    parallel_y = (1-sin(pars->parallel_theta)*sin(pars->parallel_phi))*cos(pars->parallel_psi);//cos(pars->parallel_theta) * cos(pars->parallel_phi)*cos(pars->parallel_psi); 
     128 
     129    //parallel_x = -(1-sin(pars->parallel_theta)*sin(pars->parallel_phi))*sin(pars->parallel_psi);//cos(pars->parallel_theta) * sin(pars->parallel_phi)*sin(pars->parallel_psi); 
     130    //parallel_y = (1-sin(pars->parallel_theta)*sin(pars->parallel_phi))*cos(pars->parallel_psi);//cos(pars->parallel_theta) * cos(pars->parallel_phi)*cos(pars->parallel_psi); 
    128131    cos_val_a = (parallel_x*q_x + parallel_y*q_y); 
    129132 
    … …  
    131134 
    132135    // parallelepiped b axis orientation 
    133     bparallel_x = (1-sin(pars->parallel_theta)*cos(pars->parallel_phi))*cos(pars->parallel_psi);//cos(pars->parallel_theta) * cos(pars->parallel_phi)* cos(pars->parallel_psi); 
    134     bparallel_y = (1-sin(pars->parallel_theta)*cos(pars->parallel_phi))*sin(pars->parallel_psi);//cos(pars->parallel_theta) * sin(pars->parallel_phi)* sin(pars->parallel_psi); 
     136    parallel_x = (1-sin(pars->parallel_theta)*cos(pars->parallel_phi))*cos(pars->parallel_psi);//cos(pars->parallel_theta) * cos(pars->parallel_phi)* cos(pars->parallel_psi); 
     137    parallel_y = (1-sin(pars->parallel_theta)*cos(pars->parallel_phi))*sin(pars->parallel_psi);//cos(pars->parallel_theta) * sin(pars->parallel_phi)* sin(pars->parallel_psi); 
    135138    // axis of the parallelepiped 
    136     cos_val_b = (bparallel_x*q_x + bparallel_y*q_y) ; 
     139    cos_val_b = (parallel_x*q_x + parallel_y*q_y) ; 
    137140 
    138141 

  • sansmodels/src/sans/models/c_extensions/stacked_disks.c

    r5068697 r3c102d4  
    1919double stacked_disks_analytical_1D(StackedDisksParameters *pars, double q) { 
    2020        double dp[10]; 
    21          
     21 
    2222        // Fill paramater array 
    2323        dp[0] = pars->scale; 
    2424        dp[1] = pars->radius; 
    25         dp[2] = pars->length; 
    26         dp[3] = pars->thickness; 
     25        dp[2] = pars->core_thick; 
     26        dp[3] = pars->layer_thick; 
    2727        dp[4] = pars->core_sld; 
    2828        dp[5] = pars->layer_sld; 
    2929        dp[6] = pars->solvent_sld; 
    30         dp[7] = pars->nlayers; 
    31         dp[8] = pars->spacing; 
     30        dp[7] = pars->n_stacking; 
     31        dp[8] = pars->sigma_d; 
    3232        dp[9] = pars->background; 
    3333 
    3434        // Call library function to evaluate model 
    35         return StackedDiscs(dp, q);      
     35        return StackedDiscs(dp, q); 
    3636} 
    3737/** 
    … …  
    4545        q = sqrt(qx*qx+qy*qy); 
    4646    return stacked_disks_analytical_2D_scaled(pars, q, qx/q, qy/q); 
    47 }  
     47} 
    4848 
    4949 
    … …  
    5757double stacked_disks_analytical_2D(StackedDisksParameters *pars, double q, double phi) { 
    5858    return stacked_disks_analytical_2D_scaled(pars, q, cos(phi), sin(phi)); 
    59 }  
    60          
     59} 
     60 
    6161/** 
    6262 * Function to evaluate 2D scattering function 
    … …  
    7171        double q_z; 
    7272        double alpha, vol, cos_val; 
    73         double d, dum; 
     73        double d, dum, halfheight; 
    7474        double answer; 
    75          
    76          
     75 
     76 
    7777 
    7878    // parallelepiped orientation 
    … …  
    8080    cyl_y = sin(pars->axis_theta) * sin(pars->axis_phi); 
    8181    cyl_z = cos(pars->axis_theta); 
    82       
     82 
    8383    // q vector 
    8484    q_z = 0; 
    85          
     85 
    8686    // Compute the angle btw vector q and the 
    8787    // axis of the parallelepiped 
    8888    cos_val = cyl_x*q_x + cyl_y*q_y + cyl_z*q_z; 
    89      
     89 
    9090    // The following test should always pass 
    9191    if (fabs(cos_val)>1.0) { 
    … …  
    9393        return 0; 
    9494    } 
    95      
     95 
    9696    // Note: cos(alpha) = 0 and 1 will get an 
    9797    // undefined value from Stackdisc_kern 
    … …  
    9999 
    100100        // Call the IGOR library function to get the kernel 
    101         dum =0.1; 
    102         d= 0.1; 
     101        d = 2 * pars->layer_thick + pars->core_thick; 
     102        halfheight = pars->core_thick/2.0; 
     103        dum =alpha ; 
    103104        answer = Stackdisc_kern(q, pars->radius, pars->core_sld,pars->layer_sld, 
    104                 pars->solvent_sld,pars->length,pars->thickness, dum, pars->spacing, d,pars->nlayers); 
    105          
     105                pars->solvent_sld, halfheight, pars->layer_thick, dum, pars->sigma_d, d, pars->n_stacking)/sin(alpha); 
     106 
    106107        // Multiply by contrast^2 
    107108        //answer *= pars->contrast*pars->contrast; 
    108          
     109 
    109110        //normalize by staked disks volume 
    110         //NOTE that for this (Fournet) definition of the integral, one must MULTIPLY by Vparallel 
    111     vol = acos(-1.0) * pars->radius * pars->radius * pars->length; 
    112         answer *= vol; 
    113          
     111    vol = acos(-1.0) * pars->radius * pars->radius * d * pars->n_stacking; 
     112        answer /= vol; 
     113 
    114114        //convert to [cm-1] 
    115115        answer *= 1.0e8; 
    116          
     116 
    117117        //Scale 
    118118        answer *= pars->scale; 
    119          
     119 
    120120        // add in the background 
    121121        answer += pars->background; 
    122          
     122 
    123123        return answer; 
    124124} 
    125      
    126125 
     126 

  • sansmodels/src/sans/models/c_extensions/triaxial_ellipsoid.c

    r975ec8e r3c102d4  
    3535        double t,a,b,c; 
    3636        double kernel; 
    37         double pi = acos(-1.0); 
     37        double pi = 4.0*atan(1.0); 
    3838 
    3939        a = pars->semi_axisA ; 
    … …  
    4242 
    4343        t = q * sqrt(a*a*cos(nu)*cos(nu)+b*b*sin(nu)*sin(nu)*sin(alpha)*sin(alpha)+c*c*cos(alpha)*cos(alpha)); 
    44         if (t==0){ 
     44        if (t==0.0){ 
    4545                kernel  = 1.0; 
    4646        }else{ 
    47                 kernel  = 3*(sin(t)-t*cos(t))/(t*t*t); 
     47                kernel  = 3.0*(sin(t)-t*cos(t))/(t*t*t); 
    4848        } 
    4949        return kernel*kernel; 
    … …  
    137137        //normalize by cylinder volume 
    138138        //NOTE that for this (Fournet) definition of the integral, one must MULTIPLY by Vcyl 
    139     vol = 4/3 * pi * pars->semi_axisA * pars->semi_axisB * pars->semi_axisC; 
     139    vol = 4.0* pi/3.0 * pars->semi_axisA * pars->semi_axisB * pars->semi_axisC; 
    140140        answer *= vol; 
    141  
    142141        //convert to [cm-1] 
    143142        answer *= 1.0e8; 
    144  
    145143        //Scale 
    146144        answer *= pars->scale; 

  • sansmodels/src/sans/models/c_extensions/triaxial_ellipsoid.h

    r975ec8e r3c102d4  
    1717    //  [DEFAULT]=scale=1.0 
    1818    double scale; 
    19     /// semi -axis B of the triaxial_ellipsoid [A] 
    20     //  [DEFAULT]=semi_axisB= 35.0 [A] 
     19    /// semi -axis A of the triaxial_ellipsoid [A] 
     20    //  [DEFAULT]=semi_axisA= 35.0 [A] 
    2121    double semi_axisA; 
    2222    /// semi -axis B of the triaxial_ellipsoid [A] 
    23     //  [DEFAULT]=semi_axisA=100.0 [A] 
     23    //  [DEFAULT]=semi_axisB=100.0 [A] 
    2424    double semi_axisB; 
    2525        /// semi -axis C of the triaxial_ellipsoid [A] 
    … …  
    3333        double background; 
    3434    /// Orientation of the triaxial_ellipsoid axis w/respect incoming beam [rad] 
    35     //  [DEFAULT]=axis_theta=0.0 [rad] 
     35    //  [DEFAULT]=axis_theta=1.0 [rad] 
    3636    double axis_theta; 
    3737    /// Orientation of the triaxial_ellipsoid in the plane of the detector [rad] 
    38     //  [DEFAULT]=axis_phi=0.0 [rad] 
     38    //  [DEFAULT]=axis_phi=1.0 [rad] 
    3939    double axis_phi; 
    4040    /// Orientation of the cross section of the triaxial_ellipsoid in the plane of the detector [rad] 
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