Changeset 8e36cdd in sasview for sansmodels/src/sans/models


Ignore:
Timestamp:
Aug 20, 2009 1:24:23 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:
1d67243
Parents:
191b369
Message:

fixed and tested ppmodel 2d and cleaned it up.

Location:
sansmodels/src/sans/models
Files:
3 added
7 edited

Legend:

Unmodified
Added
Removed

  • sansmodels/src/sans/models/ParallelepipedModel.py

    r2cb89e7 r8e36cdd  
    3434         scale           = 1.0  
    3535         short_a         = 35.0 [A] 
    36          long_b          = 75.0 [A] 
    37          longer_c        = 400.0 [A] 
     36         short_b         = 75.0 [A] 
     37         long_c          = 400.0 [A] 
    3838         contrast        = 5.3e-006 [1/A²] 
    3939         background      = 0.0 [1/cm] 
    … …  
    5757                 
    5858                scale:Scale factor 
    59                 short_a: length of short side of the parallelepiped [A] 
    60                 long_b: length of long side of the parallelepiped [A] 
    61                 longer_c: length of longer side of the parallelepiped [A] 
     59                short_a: length of short edge [A] 
     60                short_b: length of another short edge [A] 
     61                long_c: length of long edge of the parallelepiped [A] 
    6262                contrast: particle_sld - solvent_sld 
    6363                background:Incoherent Background [1/cm]""" 
    … …  
    6767        self.details['scale'] = ['', None, None] 
    6868        self.details['short_a'] = ['[A]', None, None] 
    69         self.details['long_b'] = ['[A]', None, None] 
    70         self.details['longer_c'] = ['[A]', None, None] 
     69        self.details['short_b'] = ['[A]', None, None] 
     70        self.details['long_c'] = ['[A]', None, None] 
    7171        self.details['contrast'] = ['[1/A²]', None, None] 
    7272        self.details['background'] = ['[1/cm]', None, None] 
    … …  
    7676 
    7777                ## fittable parameters 
    78         self.fixed=['short_a.width', 'long_b.width', 'longer_c.width', 'parallel_phi.width', 'parallel_psi.width', 'parallel_theta.width'] 
     78        self.fixed=['short_a.width', 'short_b.width', 'long_c.width', 'parallel_phi.width', 'parallel_psi.width', 'parallel_theta.width'] 
    7979         
    8080        ## parameters with orientation 

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

    r3c102d4 r8e36cdd  
    2323        dp[0] = pars->scale; 
    2424        dp[1] = pars->short_a; 
    25         dp[2] = pars->long_b; 
    26         dp[3] = pars->longer_c; 
     25        dp[2] = pars->short_b; 
     26        dp[3] = pars->long_c; 
    2727        dp[4] = pars->contrast; 
    2828        dp[5] = pars->background; 
    … …  
    9898 */ 
    9999double parallelepiped_analytical_2D_scaled(ParallelepipedParameters *pars, double q, double q_x, double q_y) { 
    100         double parallel_x, parallel_y, parallel_z; 
     100        double cparallel_x, cparallel_y, cparallel_z, bparallel_x, bparallel_y, 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; 
    … …  
    106106 
    107107        edgeA = pars->short_a; 
    108         edgeB = pars->long_b; 
    109         edgeC = pars->longer_c; 
     108        edgeB = pars->short_b; 
     109        edgeC = pars->long_c; 
    110110 
    111111 
    112112    // parallelepiped c axis orientation 
    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); 
     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); 
    116116 
    117117    // q vector 
    … …  
    120120    // Compute the angle btw vector q and the 
    121121    // axis of the parallelepiped 
    122     cos_val_c = parallel_x*q_x + parallel_y*q_y + parallel_z*q_z; 
     122    cos_val_c = cparallel_x*q_x + cparallel_y*q_y + cparallel_z*q_z; 
    123123    alpha = acos(cos_val_c); 
    124124 
    125125    // parallelepiped a axis orientation 
    126     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); 
    127     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); 
     126    parallel_x = sin(pars->parallel_psi);//cos(pars->parallel_theta) * sin(pars->parallel_phi)*sin(pars->parallel_psi); 
     127    parallel_y = cos(pars->parallel_psi);//cos(pars->parallel_theta) * cos(pars->parallel_phi)*cos(pars->parallel_psi); 
    128128 
    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); 
    131     cos_val_a = (parallel_x*q_x + parallel_y*q_y); 
     129    cos_val_a = parallel_x*q_x + parallel_y*q_y; 
    132130 
    133131 
    134132 
    135133    // parallelepiped b axis orientation 
    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); 
     134    bparallel_x = sqrt(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); 
     135    bparallel_y = sqrt(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); 
    138136    // axis of the parallelepiped 
    139     cos_val_b = (parallel_x*q_x + parallel_y*q_y) ; 
     137    cos_val_b = sin(acos(cos_val_a)) ; 
    140138 
    141139 
    … …  
    148146 
    149147        // Call the IGOR library function to get the kernel 
    150         answer = pkernel( q*edgeA, q*edgeB, q*edgeC, cos_val_a,cos_val_b,cos_val_c); 
     148        answer = pkernel( q*edgeA, q*edgeB, q*edgeC, sin(alpha)*cos_val_a,sin(alpha)*cos_val_b,cos_val_c); 
    151149 
    152150        // Multiply by contrast^2 

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

    r2cb89e7 r8e36cdd  
    77/** Structure definition for Parallelepiped parameters 
    88 * [PYTHONCLASS] = ParallelepipedModel 
    9  * [DISP_PARAMS] = short_a, long_b, longer_c,parallel_phi,parallel_psi, parallel_theta 
     9 * [DISP_PARAMS] = short_a, short_b, long_c,parallel_phi,parallel_psi, parallel_theta 
    1010   [DESCRIPTION] = <text> Form factor for a rectangular solid with uniform scattering length density. 
    1111 
    1212                scale:Scale factor 
    13                 short_a: length of short side of the parallelepiped [A] 
    14                 long_b: length of long side of the parallelepiped [A] 
    15                 longer_c: length of longer side of the parallelepiped [A] 
     13                short_a: length of short edge [A] 
     14                short_b: length of another short edge [A] 
     15                long_c: length of long edge of the parallelepiped [A] 
    1616                contrast: particle_sld - solvent_sld 
    1717                background:Incoherent Background [1/cm] 
    1818                </text> 
    19         [FIXED]= <text>short_a.width; long_b.width; longer_c.width;parallel_phi.width;parallel_psi.width; parallel_theta.width</text> 
     19        [FIXED]= <text>short_a.width; short_b.width; long_c.width;parallel_phi.width;parallel_psi.width; parallel_theta.width</text> 
    2020        [ORIENTATION_PARAMS]= <text>parallel_phi;parallel_psi; parallel_theta; parallel_phi.width;parallel_psi.width; parallel_theta.width</text> 
    2121 
    … …  
    2626    //  [DEFAULT]=scale=1.0 
    2727    double scale; 
    28     ///  Length of short side of the parallelepiped [A] 
     28    ///  Length of short edge of the parallelepiped [A] 
    2929    //  [DEFAULT]=short_a=35 [A] 
    3030    double short_a; 
    31         /// Length of long side edge of the parallelepiped [A] 
    32     //  [DEFAULT]=long_b=75 [A] 
    33     double long_b; 
    34         /// Length of longer side of the parallelepiped [A] 
    35     //  [DEFAULT]=longer_c=400 [A] 
    36     double longer_c; 
     31        /// Length of short edge edge of the parallelepiped [A] 
     32    //  [DEFAULT]=short_b=75 [A] 
     33    double short_b; 
     34        /// Length of long edge of the parallelepiped [A] 
     35    //  [DEFAULT]=long_c=400 [A] 
     36    double long_c; 
    3737    /// Contrast [1/A²] 
    3838    //  [DEFAULT]=contrast=5.3e-6 [1/A²] 

  • sansmodels/src/sans/models/c_models/CParallelepipedModel.cpp

    r2cb89e7 r8e36cdd  
    8787        // Initialize parameter dictionary 
    8888        PyDict_SetItemString(self->params,"short_a",Py_BuildValue("d",35.000000)); 
     89        PyDict_SetItemString(self->params,"short_b",Py_BuildValue("d",75.000000)); 
    8990        PyDict_SetItemString(self->params,"scale",Py_BuildValue("d",1.000000)); 
    90         PyDict_SetItemString(self->params,"long_b",Py_BuildValue("d",75.000000)); 
    91         PyDict_SetItemString(self->params,"longer_c",Py_BuildValue("d",400.000000)); 
     91        PyDict_SetItemString(self->params,"long_c",Py_BuildValue("d",400.000000)); 
    9292        PyDict_SetItemString(self->params,"parallel_psi",Py_BuildValue("d",0.000000)); 
    9393        PyDict_SetItemString(self->params,"parallel_phi",Py_BuildValue("d",0.000000)); 
    … …  
    102102        PyDict_SetItemString(self->dispersion, "short_a", disp_dict); 
    103103        disp_dict = PyDict_New(); 
    104         self->model->long_b.dispersion->accept_as_source(visitor, self->model->long_b.dispersion, disp_dict); 
    105         PyDict_SetItemString(self->dispersion, "long_b", disp_dict); 
     104        self->model->short_b.dispersion->accept_as_source(visitor, self->model->short_b.dispersion, disp_dict); 
     105        PyDict_SetItemString(self->dispersion, "short_b", disp_dict); 
    106106        disp_dict = PyDict_New(); 
    107         self->model->longer_c.dispersion->accept_as_source(visitor, self->model->longer_c.dispersion, disp_dict); 
    108         PyDict_SetItemString(self->dispersion, "longer_c", disp_dict); 
     107        self->model->long_c.dispersion->accept_as_source(visitor, self->model->long_c.dispersion, disp_dict); 
     108        PyDict_SetItemString(self->dispersion, "long_c", disp_dict); 
    109109        disp_dict = PyDict_New(); 
    110110        self->model->parallel_phi.dispersion->accept_as_source(visitor, self->model->parallel_phi.dispersion, disp_dict); 
    … …  
    247247            // Reader parameter dictionary 
    248248    self->model->short_a = PyFloat_AsDouble( PyDict_GetItemString(self->params, "short_a") ); 
     249    self->model->short_b = PyFloat_AsDouble( PyDict_GetItemString(self->params, "short_b") ); 
    249250    self->model->scale = PyFloat_AsDouble( PyDict_GetItemString(self->params, "scale") ); 
    250     self->model->long_b = PyFloat_AsDouble( PyDict_GetItemString(self->params, "long_b") ); 
    251     self->model->longer_c = PyFloat_AsDouble( PyDict_GetItemString(self->params, "longer_c") ); 
     251    self->model->long_c = PyFloat_AsDouble( PyDict_GetItemString(self->params, "long_c") ); 
    252252    self->model->parallel_psi = PyFloat_AsDouble( PyDict_GetItemString(self->params, "parallel_psi") ); 
    253253    self->model->parallel_phi = PyFloat_AsDouble( PyDict_GetItemString(self->params, "parallel_phi") ); 
    … …  
    260260    disp_dict = PyDict_GetItemString(self->dispersion, "short_a"); 
    261261    self->model->short_a.dispersion->accept_as_destination(visitor, self->model->short_a.dispersion, disp_dict); 
    262     disp_dict = PyDict_GetItemString(self->dispersion, "long_b"); 
    263     self->model->long_b.dispersion->accept_as_destination(visitor, self->model->long_b.dispersion, disp_dict); 
    264     disp_dict = PyDict_GetItemString(self->dispersion, "longer_c"); 
    265     self->model->longer_c.dispersion->accept_as_destination(visitor, self->model->longer_c.dispersion, disp_dict); 
     262    disp_dict = PyDict_GetItemString(self->dispersion, "short_b"); 
     263    self->model->short_b.dispersion->accept_as_destination(visitor, self->model->short_b.dispersion, disp_dict); 
     264    disp_dict = PyDict_GetItemString(self->dispersion, "long_c"); 
     265    self->model->long_c.dispersion->accept_as_destination(visitor, self->model->long_c.dispersion, disp_dict); 
    266266    disp_dict = PyDict_GetItemString(self->dispersion, "parallel_phi"); 
    267267    self->model->parallel_phi.dispersion->accept_as_destination(visitor, self->model->parallel_phi.dispersion, disp_dict); 
    … …  
    333333            // Reader parameter dictionary 
    334334    self->model->short_a = PyFloat_AsDouble( PyDict_GetItemString(self->params, "short_a") ); 
     335    self->model->short_b = PyFloat_AsDouble( PyDict_GetItemString(self->params, "short_b") ); 
    335336    self->model->scale = PyFloat_AsDouble( PyDict_GetItemString(self->params, "scale") ); 
    336     self->model->long_b = PyFloat_AsDouble( PyDict_GetItemString(self->params, "long_b") ); 
    337     self->model->longer_c = PyFloat_AsDouble( PyDict_GetItemString(self->params, "longer_c") ); 
     337    self->model->long_c = PyFloat_AsDouble( PyDict_GetItemString(self->params, "long_c") ); 
    338338    self->model->parallel_psi = PyFloat_AsDouble( PyDict_GetItemString(self->params, "parallel_psi") ); 
    339339    self->model->parallel_phi = PyFloat_AsDouble( PyDict_GetItemString(self->params, "parallel_phi") ); 
    … …  
    346346    disp_dict = PyDict_GetItemString(self->dispersion, "short_a"); 
    347347    self->model->short_a.dispersion->accept_as_destination(visitor, self->model->short_a.dispersion, disp_dict); 
    348     disp_dict = PyDict_GetItemString(self->dispersion, "long_b"); 
    349     self->model->long_b.dispersion->accept_as_destination(visitor, self->model->long_b.dispersion, disp_dict); 
    350     disp_dict = PyDict_GetItemString(self->dispersion, "longer_c"); 
    351     self->model->longer_c.dispersion->accept_as_destination(visitor, self->model->longer_c.dispersion, disp_dict); 
     348    disp_dict = PyDict_GetItemString(self->dispersion, "short_b"); 
     349    self->model->short_b.dispersion->accept_as_destination(visitor, self->model->short_b.dispersion, disp_dict); 
     350    disp_dict = PyDict_GetItemString(self->dispersion, "long_c"); 
     351    self->model->long_c.dispersion->accept_as_destination(visitor, self->model->long_c.dispersion, disp_dict); 
    352352    disp_dict = PyDict_GetItemString(self->dispersion, "parallel_phi"); 
    353353    self->model->parallel_phi.dispersion->accept_as_destination(visitor, self->model->parallel_phi.dispersion, disp_dict); 
    … …  
    408408            // Reader parameter dictionary 
    409409    self->model->short_a = PyFloat_AsDouble( PyDict_GetItemString(self->params, "short_a") ); 
     410    self->model->short_b = PyFloat_AsDouble( PyDict_GetItemString(self->params, "short_b") ); 
    410411    self->model->scale = PyFloat_AsDouble( PyDict_GetItemString(self->params, "scale") ); 
    411     self->model->long_b = PyFloat_AsDouble( PyDict_GetItemString(self->params, "long_b") ); 
    412     self->model->longer_c = PyFloat_AsDouble( PyDict_GetItemString(self->params, "longer_c") ); 
     412    self->model->long_c = PyFloat_AsDouble( PyDict_GetItemString(self->params, "long_c") ); 
    413413    self->model->parallel_psi = PyFloat_AsDouble( PyDict_GetItemString(self->params, "parallel_psi") ); 
    414414    self->model->parallel_phi = PyFloat_AsDouble( PyDict_GetItemString(self->params, "parallel_phi") ); 
    … …  
    421421    disp_dict = PyDict_GetItemString(self->dispersion, "short_a"); 
    422422    self->model->short_a.dispersion->accept_as_destination(visitor, self->model->short_a.dispersion, disp_dict); 
    423     disp_dict = PyDict_GetItemString(self->dispersion, "long_b"); 
    424     self->model->long_b.dispersion->accept_as_destination(visitor, self->model->long_b.dispersion, disp_dict); 
    425     disp_dict = PyDict_GetItemString(self->dispersion, "longer_c"); 
    426     self->model->longer_c.dispersion->accept_as_destination(visitor, self->model->longer_c.dispersion, disp_dict); 
     423    disp_dict = PyDict_GetItemString(self->dispersion, "short_b"); 
     424    self->model->short_b.dispersion->accept_as_destination(visitor, self->model->short_b.dispersion, disp_dict); 
     425    disp_dict = PyDict_GetItemString(self->dispersion, "long_c"); 
     426    self->model->long_c.dispersion->accept_as_destination(visitor, self->model->long_c.dispersion, disp_dict); 
    427427    disp_dict = PyDict_GetItemString(self->dispersion, "parallel_phi"); 
    428428    self->model->parallel_phi.dispersion->accept_as_destination(visitor, self->model->parallel_phi.dispersion, disp_dict); 
    … …  
    488488    if (!strcmp(par_name, "short_a")) { 
    489489        self->model->short_a.dispersion = dispersion; 
    490     } else    if (!strcmp(par_name, "long_b")) { 
    491         self->model->long_b.dispersion = dispersion; 
    492     } else    if (!strcmp(par_name, "longer_c")) { 
    493         self->model->longer_c.dispersion = dispersion; 
     490    } else    if (!strcmp(par_name, "short_b")) { 
     491        self->model->short_b.dispersion = dispersion; 
     492    } else    if (!strcmp(par_name, "long_c")) { 
     493        self->model->long_c.dispersion = dispersion; 
    494494    } else    if (!strcmp(par_name, "parallel_phi")) { 
    495495        self->model->parallel_phi.dispersion = dispersion; 

  • sansmodels/src/sans/models/c_models/models.hh

    reddff027 r8e36cdd  
    5050        Parameter scale; 
    5151        Parameter short_a; 
    52         Parameter long_b; 
    53         Parameter longer_c; 
     52        Parameter short_b; 
     53        Parameter long_c; 
    5454        Parameter contrast; 
    5555        Parameter background; 

  • sansmodels/src/sans/models/c_models/parallelepiped.cpp

    r3c102d4 r8e36cdd  
    3737        short_a     = Parameter(35.0, true); 
    3838        short_a.set_max(1.0); 
    39         long_b     = Parameter(75.0, true); 
    40         long_b.set_min(1.0); 
    41         longer_c     = Parameter(400.0, true); 
    42         longer_c.set_min(1.0); 
     39        short_b     = Parameter(75.0, true); 
     40        short_b.set_min(1.0); 
     41        long_c     = Parameter(400.0, true); 
     42        long_c.set_min(1.0); 
    4343        contrast   = Parameter(53.e-7); 
    4444        background = Parameter(0.0); 
    … …  
    6161        dp[0] = scale(); 
    6262        dp[1] = short_a(); 
    63         dp[2] = long_b(); 
    64         dp[3] = longer_c(); 
     63        dp[2] = short_b(); 
     64        dp[3] = long_c(); 
    6565        dp[4] = contrast(); 
    6666        dp[5] = 0.0; 
    … …  
    7171 
    7272        // Get the dispersion points for the longer_edgeB 
    73         vector<WeightPoint> weights_long_b; 
    74         long_b.get_weights(weights_long_b); 
     73        vector<WeightPoint> weights_short_b; 
     74        short_b.get_weights(weights_short_b); 
    7575 
    7676        // Get the dispersion points for the longuest_edgeC 
    77         vector<WeightPoint> weights_longer_c; 
    78         longer_c.get_weights(weights_longer_c); 
     77        vector<WeightPoint> weights_long_c; 
     78        long_c.get_weights(weights_long_c); 
    7979 
    8080 
    … …  
    8989 
    9090                // Loop over longer_edgeB weight points 
    91                 for(int j=0; j< (int)weights_long_b.size(); j++) { 
    92                         dp[2] = weights_long_b[j].value; 
     91                for(int j=0; j< (int)weights_short_b.size(); j++) { 
     92                        dp[2] = weights_short_b[j].value; 
    9393 
    9494                        // Loop over longuest_edgeC weight points 
    95                         for(int k=0; k< (int)weights_longer_c.size(); k++) { 
    96                                 dp[3] = weights_longer_c[k].value; 
    97  
    98                                 sum += weights_short_a[i].weight * weights_long_b[j].weight 
    99                                         * weights_longer_c[k].weight * Parallelepiped(dp, q); 
     95                        for(int k=0; k< (int)weights_long_c.size(); k++) { 
     96                                dp[3] = weights_long_c[k].value; 
     97 
     98                                sum += weights_short_a[i].weight * weights_short_b[j].weight 
     99                                        * weights_long_c[k].weight * Parallelepiped(dp, q); 
    100100 
    101101                                norm += weights_short_a[i].weight 
    102                                          * weights_long_b[j].weight * weights_longer_c[k].weight; 
     102                                         * weights_short_b[j].weight * weights_long_c[k].weight; 
    103103                        } 
    104104                } 
    … …  
    117117        dp.scale      = scale(); 
    118118        dp.short_a   = short_a(); 
    119         dp.long_b   = long_b(); 
    120         dp.longer_c  = longer_c(); 
     119        dp.short_b   = short_b(); 
     120        dp.long_c  = long_c(); 
    121121        dp.contrast   = contrast(); 
    122122        dp.background = 0.0; 
    … …  
    132132 
    133133        // Get the dispersion points for the longer_edgeB 
    134         vector<WeightPoint> weights_long_b; 
    135         long_b.get_weights(weights_long_b); 
     134        vector<WeightPoint> weights_short_b; 
     135        short_b.get_weights(weights_short_b); 
    136136 
    137137        // Get angular averaging for the longuest_edgeC 
    138         vector<WeightPoint> weights_longer_c; 
    139         longer_c.get_weights(weights_longer_c); 
     138        vector<WeightPoint> weights_long_c; 
     139        long_c.get_weights(weights_long_c); 
    140140 
    141141        // Get angular averaging for theta 
    … …  
    160160 
    161161                // Loop over longer_edgeB weight points 
    162                 for(int j=0; j< (int)weights_long_b.size(); j++) { 
    163                         dp.long_b = weights_long_b[j].value; 
     162                for(int j=0; j< (int)weights_short_b.size(); j++) { 
     163                        dp.short_b = weights_short_b[j].value; 
    164164 
    165165                        // Average over longuest_edgeC distribution 
    166                         for(int k=0; k< (int)weights_longer_c.size(); k++) { 
    167                                 dp.longer_c = weights_longer_c[k].value; 
     166                        for(int k=0; k< (int)weights_long_c.size(); k++) { 
     167                                dp.long_c = weights_long_c[k].value; 
    168168 
    169169                                // Average over theta distribution 
    … …  
    180180 
    181181                                                        double _ptvalue = weights_short_a[i].weight 
    182                                                                 * weights_long_b[j].weight 
    183                                                                 * weights_longer_c[k].weight 
     182                                                                * weights_short_b[j].weight 
     183                                                                * weights_long_c[k].weight 
    184184                                                                * weights_parallel_theta[l].weight 
    185185                                                                * weights_parallel_phi[m].weight 
    … …  
    192192 
    193193                                                        norm += weights_short_a[i].weight 
    194                                                                 * weights_long_b[j].weight 
    195                                                                 * weights_longer_c[k].weight 
     194                                                                * weights_short_b[j].weight 
     195                                                                * weights_long_c[k].weight 
    196196                                                                * weights_parallel_theta[l].weight 
    197197                                                                * weights_parallel_phi[m].weight 

  • sansmodels/src/sans/models/test/validate_2D_3axes_shape_model.py

    r27953d1 r8e36cdd  
    2525        Averaging the 3-axes 2D scattering intensity give a slightly 
    2626        different output than the 1D function   
    27         at hight Q (Q>~0.1). This is due(?) to the way the IGOR library  
     27        at hight Q (Q>~0.2). This is due(?) to the way the IGOR library  
    2828        averages, taking only 76 points in alpha, the angle between 
    2929        the axis of the ellipsoid and the q vector. 
    … …  
    8181            psi_label = 'axis_psi' 
    8282             
    83         output_f = open("%s_avg1.txt" % model.__class__.__name__,'w') 
     83        output_f = open("%s_avg.txt" % model.__class__.__name__,'w') 
    8484        output_f.write("<q_average> <2d_average> <1d_average>\n") 
    8585             
    86         for i_q in range(1, 30): 
     86        for i_q in range(1, 40): 
    8787            q = 0.01*i_q 
    8888            sum = 0.0 
    … …  
    114114if __name__ == '__main__': 
    115115    validator = Validate2D() 
    116  
     116     
     117    #te was not passed. 
    117118    te_passed =validator(TriaxialEllipsoidModel, points=76) 
    118119    pp_passed = validator(ParallelepipedModel, points=76) 
    … …  
    122123    print "Model             Passed" 
    123124    print "TriaxialEllipsoid         %s" % te_passed 
     125    print "ParallelepipedModel    %s" % pp_passed 
    124126    print "EllipticalCylinder        %s" % ell_passed 
    125     print "ParallelepipedModel    %s" % pp_passed 
    126127  
    127128         
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