source: sasview/sansmodels/src/sans/models/c_models/CParallelepipedModel.cpp @ 2c63e80e

ESS_GUIESS_GUI_DocsESS_GUI_batch_fittingESS_GUI_bumps_abstractionESS_GUI_iss1116ESS_GUI_iss879ESS_GUI_iss959ESS_GUI_openclESS_GUI_orderingESS_GUI_sync_sascalccostrafo411magnetic_scattrelease-4.1.1release-4.1.2release-4.2.2release_4.0.1ticket-1009ticket-1094-headlessticket-1242-2d-resolutionticket-1243ticket-1249ticket885unittest-saveload
Last change on this file since 2c63e80e was 35aface, checked in by Jae Cho <jhjcho@…>, 14 years ago

addede new models and attr. non_fittable
  • Property mode set to 100644
File size: 27.3 KB
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1/**
2        This software was developed by the University of Tennessee as part of the
3        Distributed Data Analysis of Neutron Scattering Experiments (DANSE)
4        project funded by the US National Science Foundation.
5
6        If you use DANSE applications to do scientific research that leads to
7        publication, we ask that you acknowledge the use of the software with the
8        following sentence:
9
10        "This work benefited from DANSE software developed under NSF award DMR-0520547."
11
12        copyright 2008, University of Tennessee
13 */
14
15/** CParallelepipedModel
16 *
17 * C extension
18 *
19 * WARNING: THIS FILE WAS GENERATED BY WRAPPERGENERATOR.PY
20 *          DO NOT MODIFY THIS FILE, MODIFY parallelepiped.h
21 *          AND RE-RUN THE GENERATOR SCRIPT
22 *
23 */
24#define NO_IMPORT_ARRAY
25#define PY_ARRAY_UNIQUE_SYMBOL PyArray_API_sans
26 
27extern "C" {
28#include <Python.h>
29#include <arrayobject.h>
30#include "structmember.h"
31#include <stdio.h>
32#include <stdlib.h>
33#include <math.h>
34#include <time.h>
35#include "parallelepiped.h"
36}
37
38#include "models.hh"
39#include "dispersion_visitor.hh"
40
41/// Error object for raised exceptions
42static PyObject * CParallelepipedModelError = NULL;
43
44
45// Class definition
46typedef struct {
47    PyObject_HEAD
48    /// Parameters
49    PyObject * params;
50    /// Dispersion parameters
51    PyObject * dispersion;
52    /// Underlying model object
53    ParallelepipedModel * model;
54    /// Log for unit testing
55    PyObject * log;
56} CParallelepipedModel;
57
58
59static void
60CParallelepipedModel_dealloc(CParallelepipedModel* self)
61{
62    Py_DECREF(self->params);
63    Py_DECREF(self->dispersion);
64    Py_DECREF(self->log);
65    delete self->model;
66    self->ob_type->tp_free((PyObject*)self);
67   
68
69}
70
71static PyObject *
72CParallelepipedModel_new(PyTypeObject *type, PyObject *args, PyObject *kwds)
73{
74    CParallelepipedModel *self;
75   
76    self = (CParallelepipedModel *)type->tp_alloc(type, 0);
77   
78    return (PyObject *)self;
79}
80
81static int
82CParallelepipedModel_init(CParallelepipedModel *self, PyObject *args, PyObject *kwds)
83{
84    if (self != NULL) {
85       
86        // Create parameters
87        self->params = PyDict_New();
88        self->dispersion = PyDict_New();
89        self->model = new ParallelepipedModel();
90       
91        // Initialize parameter dictionary
92        PyDict_SetItemString(self->params,"short_a",Py_BuildValue("d",35.000000000000));
93        PyDict_SetItemString(self->params,"short_b",Py_BuildValue("d",75.000000000000));
94        PyDict_SetItemString(self->params,"scale",Py_BuildValue("d",1.000000000000));
95        PyDict_SetItemString(self->params,"long_c",Py_BuildValue("d",400.000000000000));
96        PyDict_SetItemString(self->params,"sldPipe",Py_BuildValue("d",0.000006300000));
97        PyDict_SetItemString(self->params,"parallel_psi",Py_BuildValue("d",0.000000000000));
98        PyDict_SetItemString(self->params,"parallel_phi",Py_BuildValue("d",0.000000000000));
99        PyDict_SetItemString(self->params,"parallel_theta",Py_BuildValue("d",0.000000000000));
100        PyDict_SetItemString(self->params,"sldSolv",Py_BuildValue("d",0.000001000000));
101        PyDict_SetItemString(self->params,"background",Py_BuildValue("d",0.000000000000));
102        // Initialize dispersion / averaging parameter dict
103        DispersionVisitor* visitor = new DispersionVisitor();
104        PyObject * disp_dict;
105        disp_dict = PyDict_New();
106        self->model->short_a.dispersion->accept_as_source(visitor, self->model->short_a.dispersion, disp_dict);
107        PyDict_SetItemString(self->dispersion, "short_a", disp_dict);
108        disp_dict = PyDict_New();
109        self->model->short_b.dispersion->accept_as_source(visitor, self->model->short_b.dispersion, disp_dict);
110        PyDict_SetItemString(self->dispersion, "short_b", disp_dict);
111        disp_dict = PyDict_New();
112        self->model->long_c.dispersion->accept_as_source(visitor, self->model->long_c.dispersion, disp_dict);
113        PyDict_SetItemString(self->dispersion, "long_c", disp_dict);
114        disp_dict = PyDict_New();
115        self->model->parallel_phi.dispersion->accept_as_source(visitor, self->model->parallel_phi.dispersion, disp_dict);
116        PyDict_SetItemString(self->dispersion, "parallel_phi", disp_dict);
117        disp_dict = PyDict_New();
118        self->model->parallel_psi.dispersion->accept_as_source(visitor, self->model->parallel_psi.dispersion, disp_dict);
119        PyDict_SetItemString(self->dispersion, "parallel_psi", disp_dict);
120        disp_dict = PyDict_New();
121        self->model->parallel_theta.dispersion->accept_as_source(visitor, self->model->parallel_theta.dispersion, disp_dict);
122        PyDict_SetItemString(self->dispersion, "parallel_theta", disp_dict);
123
124
125         
126        // Create empty log
127        self->log = PyDict_New();
128       
129       
130
131    }
132    return 0;
133}
134
135static PyMemberDef CParallelepipedModel_members[] = {
136    {"params", T_OBJECT, offsetof(CParallelepipedModel, params), 0,
137     "Parameters"},
138        {"dispersion", T_OBJECT, offsetof(CParallelepipedModel, dispersion), 0,
139          "Dispersion parameters"},     
140    {"log", T_OBJECT, offsetof(CParallelepipedModel, log), 0,
141     "Log"},
142    {NULL}  /* Sentinel */
143};
144
145/** Read double from PyObject
146    @param p PyObject
147    @return double
148*/
149double CParallelepipedModel_readDouble(PyObject *p) {
150    if (PyFloat_Check(p)==1) {
151        return (double)(((PyFloatObject *)(p))->ob_fval);
152    } else if (PyInt_Check(p)==1) {
153        return (double)(((PyIntObject *)(p))->ob_ival);
154    } else if (PyLong_Check(p)==1) {
155        return (double)PyLong_AsLong(p);
156    } else {
157        return 0.0;
158    }
159}
160/**
161 * Function to call to evaluate model
162 * @param args: input numpy array q[]
163 * @return: numpy array object
164 */
165 
166static PyObject *evaluateOneDim(ParallelepipedModel* model, PyArrayObject *q){
167    PyArrayObject *result;
168   
169    // Check validity of array q , q must be of dimension 1, an array of double
170    if (q->nd != 1 || q->descr->type_num != PyArray_DOUBLE)
171    {
172        //const char * message= "Invalid array: q->nd=%d,type_num=%d\n",q->nd,q->descr->type_num;
173        //PyErr_SetString(PyExc_ValueError , message);
174        return NULL;
175    }
176    result = (PyArrayObject *)PyArray_FromDims(q->nd, (int *)(q->dimensions), 
177                                                                                  PyArray_DOUBLE);
178        if (result == NULL) {
179        const char * message= "Could not create result ";
180        PyErr_SetString(PyExc_RuntimeError , message);
181                return NULL;
182        }
183         for (int i = 0; i < q->dimensions[0]; i++){
184      double q_value  = *(double *)(q->data + i*q->strides[0]);
185      double *result_value = (double *)(result->data + i*result->strides[0]);
186      *result_value =(*model)(q_value);
187        }
188    return PyArray_Return(result); 
189 }
190
191 /**
192 * Function to call to evaluate model
193 * @param args: input numpy array  [x[],y[]]
194 * @return: numpy array object
195 */
196 static PyObject * evaluateTwoDimXY( ParallelepipedModel* model, 
197                              PyArrayObject *x, PyArrayObject *y)
198 {
199    PyArrayObject *result;
200    int i,j, x_len, y_len, dims[1];
201    //check validity of input vectors
202    if (x->nd != 1 || x->descr->type_num != PyArray_DOUBLE
203        || y->nd != 1 || y->descr->type_num != PyArray_DOUBLE
204        || y->dimensions[0] != x->dimensions[0]){
205        const char * message= "evaluateTwoDimXY  expect 2 numpy arrays";
206        PyErr_SetString(PyExc_ValueError , message); 
207        return NULL;
208    }
209   
210        if (PyArray_Check(x) && PyArray_Check(y)) {
211               
212            x_len = dims[0]= x->dimensions[0];
213        y_len = dims[0]= y->dimensions[0];
214           
215            // Make a new double matrix of same dims
216        result=(PyArrayObject *) PyArray_FromDims(1,dims,NPY_DOUBLE);
217        if (result == NULL){
218            const char * message= "Could not create result ";
219        PyErr_SetString(PyExc_RuntimeError , message);
220            return NULL;
221            }
222       
223        /* Do the calculation. */
224        for ( i=0; i< x_len; i++) {
225            double x_value = *(double *)(x->data + i*x->strides[0]);
226                    double y_value = *(double *)(y->data + i*y->strides[0]);
227                        double *result_value = (double *)(result->data +
228                              i*result->strides[0]);
229                        *result_value = (*model)(x_value, y_value);
230        }           
231        return PyArray_Return(result); 
232       
233        }else{
234                    PyErr_SetString(CParallelepipedModelError, 
235                   "CParallelepipedModel.evaluateTwoDimXY couldn't run.");
236                return NULL;
237                }       
238}
239/**
240 *  evalDistribution function evaluate a model function with input vector
241 *  @param args: input q as vector or [qx, qy] where qx, qy are vectors
242 *
243 */ 
244static PyObject * evalDistribution(CParallelepipedModel *self, PyObject *args){
245        PyObject *qx, *qy;
246        PyArrayObject * pars;
247        int npars ,mpars;
248       
249        // Get parameters
250       
251            // Reader parameter dictionary
252    self->model->short_a = PyFloat_AsDouble( PyDict_GetItemString(self->params, "short_a") );
253    self->model->short_b = PyFloat_AsDouble( PyDict_GetItemString(self->params, "short_b") );
254    self->model->scale = PyFloat_AsDouble( PyDict_GetItemString(self->params, "scale") );
255    self->model->long_c = PyFloat_AsDouble( PyDict_GetItemString(self->params, "long_c") );
256    self->model->sldPipe = PyFloat_AsDouble( PyDict_GetItemString(self->params, "sldPipe") );
257    self->model->parallel_psi = PyFloat_AsDouble( PyDict_GetItemString(self->params, "parallel_psi") );
258    self->model->parallel_phi = PyFloat_AsDouble( PyDict_GetItemString(self->params, "parallel_phi") );
259    self->model->parallel_theta = PyFloat_AsDouble( PyDict_GetItemString(self->params, "parallel_theta") );
260    self->model->sldSolv = PyFloat_AsDouble( PyDict_GetItemString(self->params, "sldSolv") );
261    self->model->background = PyFloat_AsDouble( PyDict_GetItemString(self->params, "background") );
262    // Read in dispersion parameters
263    PyObject* disp_dict;
264    DispersionVisitor* visitor = new DispersionVisitor();
265    disp_dict = PyDict_GetItemString(self->dispersion, "short_a");
266    self->model->short_a.dispersion->accept_as_destination(visitor, self->model->short_a.dispersion, disp_dict);
267    disp_dict = PyDict_GetItemString(self->dispersion, "short_b");
268    self->model->short_b.dispersion->accept_as_destination(visitor, self->model->short_b.dispersion, disp_dict);
269    disp_dict = PyDict_GetItemString(self->dispersion, "long_c");
270    self->model->long_c.dispersion->accept_as_destination(visitor, self->model->long_c.dispersion, disp_dict);
271    disp_dict = PyDict_GetItemString(self->dispersion, "parallel_phi");
272    self->model->parallel_phi.dispersion->accept_as_destination(visitor, self->model->parallel_phi.dispersion, disp_dict);
273    disp_dict = PyDict_GetItemString(self->dispersion, "parallel_psi");
274    self->model->parallel_psi.dispersion->accept_as_destination(visitor, self->model->parallel_psi.dispersion, disp_dict);
275    disp_dict = PyDict_GetItemString(self->dispersion, "parallel_theta");
276    self->model->parallel_theta.dispersion->accept_as_destination(visitor, self->model->parallel_theta.dispersion, disp_dict);
277
278       
279        // Get input and determine whether we have to supply a 1D or 2D return value.
280        if ( !PyArg_ParseTuple(args,"O",&pars) ) {
281            PyErr_SetString(CParallelepipedModelError, 
282                "CParallelepipedModel.evalDistribution expects a q value.");
283                return NULL;
284        }
285    // Check params
286       
287    if(PyArray_Check(pars)==1) {
288               
289            // Length of list should 1 or 2
290            npars = pars->nd; 
291            if(npars==1) {
292                // input is a numpy array
293                if (PyArray_Check(pars)) {
294                        return evaluateOneDim(self->model, (PyArrayObject*)pars); 
295                    }
296                }else{
297                    PyErr_SetString(CParallelepipedModelError, 
298                   "CParallelepipedModel.evalDistribution expect numpy array of one dimension.");
299                return NULL;
300                }
301    }else if( PyList_Check(pars)==1) {
302        // Length of list should be 2 for I(qx,qy)
303            mpars = PyList_GET_SIZE(pars); 
304            if(mpars!=2) {
305                PyErr_SetString(CParallelepipedModelError, 
306                        "CParallelepipedModel.evalDistribution expects a list of dimension 2.");
307                return NULL;
308            }
309             qx = PyList_GET_ITEM(pars,0);
310             qy = PyList_GET_ITEM(pars,1);
311             if (PyArray_Check(qx) && PyArray_Check(qy)) {
312                 return evaluateTwoDimXY(self->model, (PyArrayObject*)qx,
313                           (PyArrayObject*)qy);
314                 }else{
315                    PyErr_SetString(CParallelepipedModelError, 
316                   "CParallelepipedModel.evalDistribution expect 2 numpy arrays in list.");
317                return NULL;
318             }
319        }
320        PyErr_SetString(CParallelepipedModelError, 
321                   "CParallelepipedModel.evalDistribution couln't be run.");
322        return NULL;
323       
324}
325
326/**
327 * Function to call to evaluate model
328 * @param args: input q or [q,phi]
329 * @return: function value
330 */
331static PyObject * run(CParallelepipedModel *self, PyObject *args) {
332        double q_value, phi_value;
333        PyObject* pars;
334        int npars;
335       
336        // Get parameters
337       
338            // Reader parameter dictionary
339    self->model->short_a = PyFloat_AsDouble( PyDict_GetItemString(self->params, "short_a") );
340    self->model->short_b = PyFloat_AsDouble( PyDict_GetItemString(self->params, "short_b") );
341    self->model->scale = PyFloat_AsDouble( PyDict_GetItemString(self->params, "scale") );
342    self->model->long_c = PyFloat_AsDouble( PyDict_GetItemString(self->params, "long_c") );
343    self->model->sldPipe = PyFloat_AsDouble( PyDict_GetItemString(self->params, "sldPipe") );
344    self->model->parallel_psi = PyFloat_AsDouble( PyDict_GetItemString(self->params, "parallel_psi") );
345    self->model->parallel_phi = PyFloat_AsDouble( PyDict_GetItemString(self->params, "parallel_phi") );
346    self->model->parallel_theta = PyFloat_AsDouble( PyDict_GetItemString(self->params, "parallel_theta") );
347    self->model->sldSolv = PyFloat_AsDouble( PyDict_GetItemString(self->params, "sldSolv") );
348    self->model->background = PyFloat_AsDouble( PyDict_GetItemString(self->params, "background") );
349    // Read in dispersion parameters
350    PyObject* disp_dict;
351    DispersionVisitor* visitor = new DispersionVisitor();
352    disp_dict = PyDict_GetItemString(self->dispersion, "short_a");
353    self->model->short_a.dispersion->accept_as_destination(visitor, self->model->short_a.dispersion, disp_dict);
354    disp_dict = PyDict_GetItemString(self->dispersion, "short_b");
355    self->model->short_b.dispersion->accept_as_destination(visitor, self->model->short_b.dispersion, disp_dict);
356    disp_dict = PyDict_GetItemString(self->dispersion, "long_c");
357    self->model->long_c.dispersion->accept_as_destination(visitor, self->model->long_c.dispersion, disp_dict);
358    disp_dict = PyDict_GetItemString(self->dispersion, "parallel_phi");
359    self->model->parallel_phi.dispersion->accept_as_destination(visitor, self->model->parallel_phi.dispersion, disp_dict);
360    disp_dict = PyDict_GetItemString(self->dispersion, "parallel_psi");
361    self->model->parallel_psi.dispersion->accept_as_destination(visitor, self->model->parallel_psi.dispersion, disp_dict);
362    disp_dict = PyDict_GetItemString(self->dispersion, "parallel_theta");
363    self->model->parallel_theta.dispersion->accept_as_destination(visitor, self->model->parallel_theta.dispersion, disp_dict);
364
365       
366        // Get input and determine whether we have to supply a 1D or 2D return value.
367        if ( !PyArg_ParseTuple(args,"O",&pars) ) {
368            PyErr_SetString(CParallelepipedModelError, 
369                "CParallelepipedModel.run expects a q value.");
370                return NULL;
371        }
372         
373        // Check params
374        if( PyList_Check(pars)==1) {
375               
376                // Length of list should be 2 for I(q,phi)
377            npars = PyList_GET_SIZE(pars); 
378            if(npars!=2) {
379                PyErr_SetString(CParallelepipedModelError, 
380                        "CParallelepipedModel.run expects a double or a list of dimension 2.");
381                return NULL;
382            }
383            // We have a vector q, get the q and phi values at which
384            // to evaluate I(q,phi)
385            q_value = CParallelepipedModel_readDouble(PyList_GET_ITEM(pars,0));
386            phi_value = CParallelepipedModel_readDouble(PyList_GET_ITEM(pars,1));
387            // Skip zero
388            if (q_value==0) {
389                return Py_BuildValue("d",0.0);
390            }
391                return Py_BuildValue("d",(*(self->model)).evaluate_rphi(q_value,phi_value));
392
393        } else {
394
395                // We have a scalar q, we will evaluate I(q)
396                q_value = CParallelepipedModel_readDouble(pars);               
397               
398                return Py_BuildValue("d",(*(self->model))(q_value));
399        }       
400}
401/**
402 * Function to call to calculate_ER
403 * @return: effective radius value
404 */
405static PyObject * calculate_ER(CParallelepipedModel *self) {
406
407        PyObject* pars;
408        int npars;
409       
410        // Get parameters
411       
412            // Reader parameter dictionary
413    self->model->short_a = PyFloat_AsDouble( PyDict_GetItemString(self->params, "short_a") );
414    self->model->short_b = PyFloat_AsDouble( PyDict_GetItemString(self->params, "short_b") );
415    self->model->scale = PyFloat_AsDouble( PyDict_GetItemString(self->params, "scale") );
416    self->model->long_c = PyFloat_AsDouble( PyDict_GetItemString(self->params, "long_c") );
417    self->model->sldPipe = PyFloat_AsDouble( PyDict_GetItemString(self->params, "sldPipe") );
418    self->model->parallel_psi = PyFloat_AsDouble( PyDict_GetItemString(self->params, "parallel_psi") );
419    self->model->parallel_phi = PyFloat_AsDouble( PyDict_GetItemString(self->params, "parallel_phi") );
420    self->model->parallel_theta = PyFloat_AsDouble( PyDict_GetItemString(self->params, "parallel_theta") );
421    self->model->sldSolv = PyFloat_AsDouble( PyDict_GetItemString(self->params, "sldSolv") );
422    self->model->background = PyFloat_AsDouble( PyDict_GetItemString(self->params, "background") );
423    // Read in dispersion parameters
424    PyObject* disp_dict;
425    DispersionVisitor* visitor = new DispersionVisitor();
426    disp_dict = PyDict_GetItemString(self->dispersion, "short_a");
427    self->model->short_a.dispersion->accept_as_destination(visitor, self->model->short_a.dispersion, disp_dict);
428    disp_dict = PyDict_GetItemString(self->dispersion, "short_b");
429    self->model->short_b.dispersion->accept_as_destination(visitor, self->model->short_b.dispersion, disp_dict);
430    disp_dict = PyDict_GetItemString(self->dispersion, "long_c");
431    self->model->long_c.dispersion->accept_as_destination(visitor, self->model->long_c.dispersion, disp_dict);
432    disp_dict = PyDict_GetItemString(self->dispersion, "parallel_phi");
433    self->model->parallel_phi.dispersion->accept_as_destination(visitor, self->model->parallel_phi.dispersion, disp_dict);
434    disp_dict = PyDict_GetItemString(self->dispersion, "parallel_psi");
435    self->model->parallel_psi.dispersion->accept_as_destination(visitor, self->model->parallel_psi.dispersion, disp_dict);
436    disp_dict = PyDict_GetItemString(self->dispersion, "parallel_theta");
437    self->model->parallel_theta.dispersion->accept_as_destination(visitor, self->model->parallel_theta.dispersion, disp_dict);
438
439               
440        return Py_BuildValue("d",(*(self->model)).calculate_ER());
441
442}
443/**
444 * Function to call to evaluate model in cartesian coordinates
445 * @param args: input q or [qx, qy]]
446 * @return: function value
447 */
448static PyObject * runXY(CParallelepipedModel *self, PyObject *args) {
449        double qx_value, qy_value;
450        PyObject* pars;
451        int npars;
452       
453        // Get parameters
454       
455            // Reader parameter dictionary
456    self->model->short_a = PyFloat_AsDouble( PyDict_GetItemString(self->params, "short_a") );
457    self->model->short_b = PyFloat_AsDouble( PyDict_GetItemString(self->params, "short_b") );
458    self->model->scale = PyFloat_AsDouble( PyDict_GetItemString(self->params, "scale") );
459    self->model->long_c = PyFloat_AsDouble( PyDict_GetItemString(self->params, "long_c") );
460    self->model->sldPipe = PyFloat_AsDouble( PyDict_GetItemString(self->params, "sldPipe") );
461    self->model->parallel_psi = PyFloat_AsDouble( PyDict_GetItemString(self->params, "parallel_psi") );
462    self->model->parallel_phi = PyFloat_AsDouble( PyDict_GetItemString(self->params, "parallel_phi") );
463    self->model->parallel_theta = PyFloat_AsDouble( PyDict_GetItemString(self->params, "parallel_theta") );
464    self->model->sldSolv = PyFloat_AsDouble( PyDict_GetItemString(self->params, "sldSolv") );
465    self->model->background = PyFloat_AsDouble( PyDict_GetItemString(self->params, "background") );
466    // Read in dispersion parameters
467    PyObject* disp_dict;
468    DispersionVisitor* visitor = new DispersionVisitor();
469    disp_dict = PyDict_GetItemString(self->dispersion, "short_a");
470    self->model->short_a.dispersion->accept_as_destination(visitor, self->model->short_a.dispersion, disp_dict);
471    disp_dict = PyDict_GetItemString(self->dispersion, "short_b");
472    self->model->short_b.dispersion->accept_as_destination(visitor, self->model->short_b.dispersion, disp_dict);
473    disp_dict = PyDict_GetItemString(self->dispersion, "long_c");
474    self->model->long_c.dispersion->accept_as_destination(visitor, self->model->long_c.dispersion, disp_dict);
475    disp_dict = PyDict_GetItemString(self->dispersion, "parallel_phi");
476    self->model->parallel_phi.dispersion->accept_as_destination(visitor, self->model->parallel_phi.dispersion, disp_dict);
477    disp_dict = PyDict_GetItemString(self->dispersion, "parallel_psi");
478    self->model->parallel_psi.dispersion->accept_as_destination(visitor, self->model->parallel_psi.dispersion, disp_dict);
479    disp_dict = PyDict_GetItemString(self->dispersion, "parallel_theta");
480    self->model->parallel_theta.dispersion->accept_as_destination(visitor, self->model->parallel_theta.dispersion, disp_dict);
481
482       
483        // Get input and determine whether we have to supply a 1D or 2D return value.
484        if ( !PyArg_ParseTuple(args,"O",&pars) ) {
485            PyErr_SetString(CParallelepipedModelError, 
486                "CParallelepipedModel.run expects a q value.");
487                return NULL;
488        }
489         
490        // Check params
491        if( PyList_Check(pars)==1) {
492               
493                // Length of list should be 2 for I(qx, qy))
494            npars = PyList_GET_SIZE(pars); 
495            if(npars!=2) {
496                PyErr_SetString(CParallelepipedModelError, 
497                        "CParallelepipedModel.run expects a double or a list of dimension 2.");
498                return NULL;
499            }
500            // We have a vector q, get the qx and qy values at which
501            // to evaluate I(qx,qy)
502            qx_value = CParallelepipedModel_readDouble(PyList_GET_ITEM(pars,0));
503            qy_value = CParallelepipedModel_readDouble(PyList_GET_ITEM(pars,1));
504            return Py_BuildValue("d",(*(self->model))(qx_value,qy_value));
505
506        } else {
507
508                // We have a scalar q, we will evaluate I(q)
509                qx_value = CParallelepipedModel_readDouble(pars);               
510               
511                return Py_BuildValue("d",(*(self->model))(qx_value));
512        }       
513}
514
515static PyObject * reset(CParallelepipedModel *self, PyObject *args) {
516   
517
518    return Py_BuildValue("d",0.0);
519}
520
521static PyObject * set_dispersion(CParallelepipedModel *self, PyObject *args) {
522        PyObject * disp;
523        const char * par_name;
524
525        if ( !PyArg_ParseTuple(args,"sO", &par_name, &disp) ) {
526            PyErr_SetString(CParallelepipedModelError,
527                "CParallelepipedModel.set_dispersion expects a DispersionModel object.");
528                return NULL;
529        }
530        void *temp = PyCObject_AsVoidPtr(disp);
531        DispersionModel * dispersion = static_cast<DispersionModel *>(temp);
532
533
534        // Ugliness necessary to go from python to C
535            // TODO: refactor this
536    if (!strcmp(par_name, "short_a")) {
537        self->model->short_a.dispersion = dispersion;
538    } else    if (!strcmp(par_name, "short_b")) {
539        self->model->short_b.dispersion = dispersion;
540    } else    if (!strcmp(par_name, "long_c")) {
541        self->model->long_c.dispersion = dispersion;
542    } else    if (!strcmp(par_name, "parallel_phi")) {
543        self->model->parallel_phi.dispersion = dispersion;
544    } else    if (!strcmp(par_name, "parallel_psi")) {
545        self->model->parallel_psi.dispersion = dispersion;
546    } else    if (!strcmp(par_name, "parallel_theta")) {
547        self->model->parallel_theta.dispersion = dispersion;
548    } else {
549            PyErr_SetString(CParallelepipedModelError,
550                "CParallelepipedModel.set_dispersion expects a valid parameter name.");
551                return NULL;
552        }
553
554        DispersionVisitor* visitor = new DispersionVisitor();
555        PyObject * disp_dict = PyDict_New();
556        dispersion->accept_as_source(visitor, dispersion, disp_dict);
557        PyDict_SetItemString(self->dispersion, par_name, disp_dict);
558    return Py_BuildValue("i",1);
559}
560
561
562static PyMethodDef CParallelepipedModel_methods[] = {
563    {"run",      (PyCFunction)run     , METH_VARARGS,
564      "Evaluate the model at a given Q or Q, phi"},
565    {"runXY",      (PyCFunction)runXY     , METH_VARARGS,
566      "Evaluate the model at a given Q or Qx, Qy"},
567    {"calculate_ER",      (PyCFunction)calculate_ER     , METH_VARARGS,
568      "Evaluate the model at a given Q or Q, phi"},
569     
570    {"evalDistribution",  (PyCFunction)evalDistribution , METH_VARARGS,
571      "Evaluate the model at a given Q or Qx, Qy vector "},
572    {"reset",    (PyCFunction)reset   , METH_VARARGS,
573      "Reset pair correlation"},
574    {"set_dispersion",      (PyCFunction)set_dispersion     , METH_VARARGS,
575      "Set the dispersion model for a given parameter"},
576   {NULL}
577};
578
579static PyTypeObject CParallelepipedModelType = {
580    PyObject_HEAD_INIT(NULL)
581    0,                         /*ob_size*/
582    "CParallelepipedModel",             /*tp_name*/
583    sizeof(CParallelepipedModel),             /*tp_basicsize*/
584    0,                         /*tp_itemsize*/
585    (destructor)CParallelepipedModel_dealloc, /*tp_dealloc*/
586    0,                         /*tp_print*/
587    0,                         /*tp_getattr*/
588    0,                         /*tp_setattr*/
589    0,                         /*tp_compare*/
590    0,                         /*tp_repr*/
591    0,                         /*tp_as_number*/
592    0,                         /*tp_as_sequence*/
593    0,                         /*tp_as_mapping*/
594    0,                         /*tp_hash */
595    0,                         /*tp_call*/
596    0,                         /*tp_str*/
597    0,                         /*tp_getattro*/
598    0,                         /*tp_setattro*/
599    0,                         /*tp_as_buffer*/
600    Py_TPFLAGS_DEFAULT | Py_TPFLAGS_BASETYPE, /*tp_flags*/
601    "CParallelepipedModel objects",           /* tp_doc */
602    0,                         /* tp_traverse */
603    0,                         /* tp_clear */
604    0,                         /* tp_richcompare */
605    0,                         /* tp_weaklistoffset */
606    0,                         /* tp_iter */
607    0,                         /* tp_iternext */
608    CParallelepipedModel_methods,             /* tp_methods */
609    CParallelepipedModel_members,             /* tp_members */
610    0,                         /* tp_getset */
611    0,                         /* tp_base */
612    0,                         /* tp_dict */
613    0,                         /* tp_descr_get */
614    0,                         /* tp_descr_set */
615    0,                         /* tp_dictoffset */
616    (initproc)CParallelepipedModel_init,      /* tp_init */
617    0,                         /* tp_alloc */
618    CParallelepipedModel_new,                 /* tp_new */
619};
620
621
622//static PyMethodDef module_methods[] = {
623//    {NULL}
624//};
625
626/**
627 * Function used to add the model class to a module
628 * @param module: module to add the class to
629 */ 
630void addCParallelepipedModel(PyObject *module) {
631        PyObject *d;
632       
633    if (PyType_Ready(&CParallelepipedModelType) < 0)
634        return;
635
636    Py_INCREF(&CParallelepipedModelType);
637    PyModule_AddObject(module, "CParallelepipedModel", (PyObject *)&CParallelepipedModelType);
638   
639    d = PyModule_GetDict(module);
640    CParallelepipedModelError = PyErr_NewException("CParallelepipedModel.error", NULL, NULL);
641    PyDict_SetItemString(d, "CParallelepipedModelError", CParallelepipedModelError);
642}
643
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