source: sasview/sansmodels/src/sans/models/c_extensions/CHardsphereStructure.c @ 0ab485b

/** CHardsphereStructure
 *
 * C extension 
 *
 * WARNING: THIS FILE WAS GENERATED BY WRAPPERGENERATOR.PY
 *          DO NOT MODIFY THIS FILE, MODIFY Hardsphere.h
 *          AND RE-RUN THE GENERATOR SCRIPT
 *
 * @author   M.Doucet / UTK
 */
 
#include <Python.h>
#include "structmember.h"
#include <stdio.h>
#include <stdlib.h>
#include <math.h>
#include <time.h>

#include "Hardsphere.h"

/// Error object for raised exceptions
static PyObject * CHardsphereStructureError = NULL;


// Class definition
typedef struct {
    PyObject_HEAD
    /// Parameters
    PyObject * params;
    /// Log for unit testing
    PyObject * log;
    /// Model parameters
        HardsphereParameters model_pars;
} CHardsphereStructure;


static void
CHardsphereStructure_dealloc(CHardsphereStructure* self)
{
    self->ob_type->tp_free((PyObject*)self);
    

}

static PyObject *
CHardsphereStructure_new(PyTypeObject *type, PyObject *args, PyObject *kwds)
{
    CHardsphereStructure *self;
    
    self = (CHardsphereStructure *)type->tp_alloc(type, 0);
   
    return (PyObject *)self;
}

static int
CHardsphereStructure_init(CHardsphereStructure *self, PyObject *args, PyObject *kwds)
{
    if (self != NULL) {
        
        // Create parameters
        self->params = PyDict_New();
        
        // Initialize parameter dictionary
        PyDict_SetItemString(self->params,"radius",Py_BuildValue("d",50.000000));
        PyDict_SetItemString(self->params,"volfraction",Py_BuildValue("d",0.200000));

         
        // Create empty log
        self->log = PyDict_New();
        
        

    }
    return 0;
}

static PyMemberDef CHardsphereStructure_members[] = {
    {"params", T_OBJECT, offsetof(CHardsphereStructure, params), 0,
     "Parameters"},
    {"log", T_OBJECT, offsetof(CHardsphereStructure, log), 0,
     "Log"},
    {NULL}  /* Sentinel */
};

/** Read double from PyObject
    @param p PyObject
    @return double
*/
double CHardsphereStructure_readDouble(PyObject *p) {
    if (PyFloat_Check(p)==1) {
        return (double)(((PyFloatObject *)(p))->ob_fval);
    } else if (PyInt_Check(p)==1) {
        return (double)(((PyIntObject *)(p))->ob_ival);
    } else if (PyLong_Check(p)==1) {
        return (double)PyLong_AsLong(p);
    } else {
        return 0.0;
    }
}


/**
 * Function to call to evaluate model
 * @param args: input q or [q,phi]
 * @return: function value
 */
static PyObject * run(CHardsphereStructure *self, PyObject *args) {
        double q_value, phi_value;
        PyObject* pars;
        int npars;
        
        // Get parameters
        
        // Reader parameter dictionary
    self->model_pars.radius = PyFloat_AsDouble( PyDict_GetItemString(self->params, "radius") );
    self->model_pars.volfraction = PyFloat_AsDouble( PyDict_GetItemString(self->params, "volfraction") );

        
        // Get input and determine whether we have to supply a 1D or 2D return value.
        if ( !PyArg_ParseTuple(args,"O",&pars) ) {
            PyErr_SetString(CHardsphereStructureError, 
                "CHardsphereStructure.run expects a q value.");
                return NULL;
        }
          
        // Check params
        if( PyList_Check(pars)==1) {
                
                // Length of list should be 2 for I(q,phi)
            npars = PyList_GET_SIZE(pars); 
            if(npars!=2) {
                PyErr_SetString(CHardsphereStructureError, 
                        "CHardsphereStructure.run expects a double or a list of dimension 2.");
                return NULL;
            }
            // We have a vector q, get the q and phi values at which
            // to evaluate I(q,phi)
            q_value = CHardsphereStructure_readDouble(PyList_GET_ITEM(pars,0));
            phi_value = CHardsphereStructure_readDouble(PyList_GET_ITEM(pars,1));
            // Skip zero
            if (q_value==0) {
                return Py_BuildValue("d",0.0);
            }
                return Py_BuildValue("d",Hardsphere_analytical_2D(&(self->model_pars),q_value,phi_value));

        } else {

                // We have a scalar q, we will evaluate I(q)
                q_value = CHardsphereStructure_readDouble(pars);                
                
                return Py_BuildValue("d",Hardsphere_analytical_1D(&(self->model_pars),q_value));
        }       
}

/**
 * Function to call to evaluate model in cartesian coordinates
 * @param args: input q or [qx, qy]]
 * @return: function value
 */
static PyObject * runXY(CHardsphereStructure *self, PyObject *args) {
        double qx_value, qy_value;
        PyObject* pars;
        int npars;
        
        // Get parameters
        
        // Reader parameter dictionary
    self->model_pars.radius = PyFloat_AsDouble( PyDict_GetItemString(self->params, "radius") );
    self->model_pars.volfraction = PyFloat_AsDouble( PyDict_GetItemString(self->params, "volfraction") );

        
        // Get input and determine whether we have to supply a 1D or 2D return value.
        if ( !PyArg_ParseTuple(args,"O",&pars) ) {
            PyErr_SetString(CHardsphereStructureError, 
                "CHardsphereStructure.run expects a q value.");
                return NULL;
        }
          
        // Check params
        if( PyList_Check(pars)==1) {
                
                // Length of list should be 2 for I(qx, qy))
            npars = PyList_GET_SIZE(pars); 
            if(npars!=2) {
                PyErr_SetString(CHardsphereStructureError, 
                        "CHardsphereStructure.run expects a double or a list of dimension 2.");
                return NULL;
            }
            // We have a vector q, get the qx and qy values at which
            // to evaluate I(qx,qy)
            qx_value = CHardsphereStructure_readDouble(PyList_GET_ITEM(pars,0));
            qy_value = CHardsphereStructure_readDouble(PyList_GET_ITEM(pars,1));
                return Py_BuildValue("d",Hardsphere_analytical_2DXY(&(self->model_pars),qx_value,qy_value));

        } else {

                // We have a scalar q, we will evaluate I(q)
                qx_value = CHardsphereStructure_readDouble(pars);               
                
                return Py_BuildValue("d",Hardsphere_analytical_1D(&(self->model_pars),qx_value));
        }       
}

static PyObject * reset(CHardsphereStructure *self, PyObject *args) {
    

    return Py_BuildValue("d",0.0);
}


static PyMethodDef CHardsphereStructure_methods[] = {
    {"run",      (PyCFunction)run     , METH_VARARGS,
      "Evaluate the model at a given Q or Q, phi"},
    {"runXY",      (PyCFunction)runXY     , METH_VARARGS,
      "Evaluate the model at a given Q or Qx, Qy"},
    {"reset",    (PyCFunction)reset   , METH_VARARGS,
      "Reset pair correlation"},
    //{"numerical_1D",      (PyCFunction)numerical_1D     , METH_VARARGS,
    //  "Evaluate the 1D model at a given Q"},
   {NULL}
};

static PyTypeObject CHardsphereStructureType = {
    PyObject_HEAD_INIT(NULL)
    0,                         /*ob_size*/
    "CHardsphereStructure",             /*tp_name*/
    sizeof(CHardsphereStructure),             /*tp_basicsize*/
    0,                         /*tp_itemsize*/
    (destructor)CHardsphereStructure_dealloc, /*tp_dealloc*/
    0,                         /*tp_print*/
    0,                         /*tp_getattr*/
    0,                         /*tp_setattr*/
    0,                         /*tp_compare*/
    0,                         /*tp_repr*/
    0,                         /*tp_as_number*/
    0,                         /*tp_as_sequence*/
    0,                         /*tp_as_mapping*/
    0,                         /*tp_hash */
    0,                         /*tp_call*/
    0,                         /*tp_str*/
    0,                         /*tp_getattro*/
    0,                         /*tp_setattro*/
    0,                         /*tp_as_buffer*/
    Py_TPFLAGS_DEFAULT | Py_TPFLAGS_BASETYPE, /*tp_flags*/
    "CHardsphereStructure objects",           /* tp_doc */
    0,                         /* tp_traverse */
    0,                         /* tp_clear */
    0,                         /* tp_richcompare */
    0,                         /* tp_weaklistoffset */
    0,                         /* tp_iter */
    0,                         /* tp_iternext */
    CHardsphereStructure_methods,             /* tp_methods */
    CHardsphereStructure_members,             /* tp_members */
    0,                         /* tp_getset */
    0,                         /* tp_base */
    0,                         /* tp_dict */
    0,                         /* tp_descr_get */
    0,                         /* tp_descr_set */
    0,                         /* tp_dictoffset */
    (initproc)CHardsphereStructure_init,      /* tp_init */
    0,                         /* tp_alloc */
    CHardsphereStructure_new,                 /* tp_new */
};


static PyMethodDef module_methods[] = {
    {NULL} 
};

/**
 * Function used to add the model class to a module
 * @param module: module to add the class to
 */ 
void addCHardsphereStructure(PyObject *module) {
        PyObject *d;
        
    if (PyType_Ready(&CHardsphereStructureType) < 0)
        return;

    Py_INCREF(&CHardsphereStructureType);
    PyModule_AddObject(module, "CHardsphereStructure", (PyObject *)&CHardsphereStructureType);
    
    d = PyModule_GetDict(module);
    CHardsphereStructureError = PyErr_NewException("CHardsphereStructure.error", NULL, NULL);
    PyDict_SetItemString(d, "CHardsphereStructureError", CHardsphereStructureError);
}