[339ce67] | 1 | /** |
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| 2 | This software was developed by the University of Tennessee as part of the |
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| 3 | Distributed Data Analysis of Neutron Scattering Experiments (DANSE) |
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| 4 | project funded by the US National Science Foundation. |
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| 5 | |
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| 6 | If you use DANSE applications to do scientific research that leads to |
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| 7 | publication, we ask that you acknowledge the use of the software with the |
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| 8 | following sentence: |
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| 9 | |
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| 10 | "This work benefited from DANSE software developed under NSF award DMR-0520547." |
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| 11 | |
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| 12 | copyright 2008, University of Tennessee |
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| 13 | */ |
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| 14 | |
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| 15 | /** CCappedCylinderModel |
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| 16 | * |
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| 17 | * C extension |
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| 18 | * |
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| 19 | * WARNING: THIS FILE WAS GENERATED BY WRAPPERGENERATOR.PY |
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| 20 | * DO NOT MODIFY THIS FILE, MODIFY capcyl.h |
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| 21 | * AND RE-RUN THE GENERATOR SCRIPT |
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| 22 | * |
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| 23 | */ |
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| 24 | #define NO_IMPORT_ARRAY |
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| 25 | #define PY_ARRAY_UNIQUE_SYMBOL PyArray_API_sans |
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| 26 | |
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| 27 | extern "C" { |
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| 28 | #include <Python.h> |
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| 29 | #include <arrayobject.h> |
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| 30 | #include "structmember.h" |
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| 31 | #include <stdio.h> |
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| 32 | #include <stdlib.h> |
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| 33 | #include <math.h> |
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| 34 | #include <time.h> |
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| 35 | #include "capcyl.h" |
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| 36 | } |
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| 37 | |
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| 38 | #include "models.hh" |
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| 39 | #include "dispersion_visitor.hh" |
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| 40 | |
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| 41 | /// Error object for raised exceptions |
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| 42 | static PyObject * CCappedCylinderModelError = NULL; |
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| 43 | |
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| 44 | |
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| 45 | // Class definition |
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| 46 | typedef struct { |
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| 47 | PyObject_HEAD |
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| 48 | /// Parameters |
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| 49 | PyObject * params; |
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| 50 | /// Dispersion parameters |
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| 51 | PyObject * dispersion; |
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| 52 | /// Underlying model object |
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| 53 | CappedCylinderModel * model; |
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| 54 | /// Log for unit testing |
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| 55 | PyObject * log; |
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| 56 | } CCappedCylinderModel; |
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| 57 | |
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| 58 | |
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| 59 | static void |
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| 60 | CCappedCylinderModel_dealloc(CCappedCylinderModel* self) |
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| 61 | { |
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| 62 | Py_DECREF(self->params); |
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| 63 | Py_DECREF(self->dispersion); |
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| 64 | Py_DECREF(self->log); |
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| 65 | delete self->model; |
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| 66 | self->ob_type->tp_free((PyObject*)self); |
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[b1c3295] | 67 | |
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[339ce67] | 68 | |
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| 69 | } |
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| 70 | |
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| 71 | static PyObject * |
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| 72 | CCappedCylinderModel_new(PyTypeObject *type, PyObject *args, PyObject *kwds) |
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| 73 | { |
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| 74 | CCappedCylinderModel *self; |
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| 75 | |
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| 76 | self = (CCappedCylinderModel *)type->tp_alloc(type, 0); |
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| 77 | |
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| 78 | return (PyObject *)self; |
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| 79 | } |
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| 80 | |
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| 81 | static int |
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| 82 | CCappedCylinderModel_init(CCappedCylinderModel *self, PyObject *args, PyObject *kwds) |
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| 83 | { |
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| 84 | if (self != NULL) { |
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| 85 | |
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| 86 | // Create parameters |
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| 87 | self->params = PyDict_New(); |
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| 88 | self->dispersion = PyDict_New(); |
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| 89 | self->model = new CappedCylinderModel(); |
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| 90 | |
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[b1c3295] | 91 | // Initialize parameter dictionary |
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| 92 | PyDict_SetItemString(self->params,"phi",Py_BuildValue("d",0.000000000000)); |
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| 93 | PyDict_SetItemString(self->params,"len_cyl",Py_BuildValue("d",400.000000000000)); |
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| 94 | PyDict_SetItemString(self->params,"sld_capcyl",Py_BuildValue("d",0.000001000000)); |
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| 95 | PyDict_SetItemString(self->params,"scale",Py_BuildValue("d",1.000000000000)); |
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| 96 | PyDict_SetItemString(self->params,"background",Py_BuildValue("d",0.000000000000)); |
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| 97 | PyDict_SetItemString(self->params,"theta",Py_BuildValue("d",0.000000000000)); |
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| 98 | PyDict_SetItemString(self->params,"rad_cap",Py_BuildValue("d",40.000000000000)); |
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| 99 | PyDict_SetItemString(self->params,"sld_solv",Py_BuildValue("d",0.000006300000)); |
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| 100 | PyDict_SetItemString(self->params,"rad_cyl",Py_BuildValue("d",20.000000000000)); |
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| 101 | // Initialize dispersion / averaging parameter dict |
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| 102 | DispersionVisitor* visitor = new DispersionVisitor(); |
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| 103 | PyObject * disp_dict; |
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| 104 | disp_dict = PyDict_New(); |
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| 105 | self->model->rad_cyl.dispersion->accept_as_source(visitor, self->model->rad_cyl.dispersion, disp_dict); |
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| 106 | PyDict_SetItemString(self->dispersion, "rad_cyl", disp_dict); |
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| 107 | disp_dict = PyDict_New(); |
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| 108 | self->model->len_cyl.dispersion->accept_as_source(visitor, self->model->len_cyl.dispersion, disp_dict); |
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| 109 | PyDict_SetItemString(self->dispersion, "len_cyl", disp_dict); |
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| 110 | disp_dict = PyDict_New(); |
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| 111 | self->model->rad_cap.dispersion->accept_as_source(visitor, self->model->rad_cap.dispersion, disp_dict); |
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| 112 | PyDict_SetItemString(self->dispersion, "rad_cap", disp_dict); |
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| 113 | disp_dict = PyDict_New(); |
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| 114 | self->model->phi.dispersion->accept_as_source(visitor, self->model->phi.dispersion, disp_dict); |
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| 115 | PyDict_SetItemString(self->dispersion, "phi", disp_dict); |
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| 116 | disp_dict = PyDict_New(); |
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| 117 | self->model->theta.dispersion->accept_as_source(visitor, self->model->theta.dispersion, disp_dict); |
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| 118 | PyDict_SetItemString(self->dispersion, "theta", disp_dict); |
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| 119 | |
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[339ce67] | 120 | |
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| 121 | |
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| 122 | // Create empty log |
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| 123 | self->log = PyDict_New(); |
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| 124 | |
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[b1c3295] | 125 | |
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[339ce67] | 126 | |
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| 127 | } |
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| 128 | return 0; |
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| 129 | } |
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| 130 | |
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[b1c3295] | 131 | static char name_params[] = "params"; |
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| 132 | static char def_params[] = "Parameters"; |
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| 133 | static char name_dispersion[] = "dispersion"; |
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| 134 | static char def_dispersion[] = "Dispersion parameters"; |
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| 135 | static char name_log[] = "log"; |
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| 136 | static char def_log[] = "Log"; |
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| 137 | |
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[339ce67] | 138 | static PyMemberDef CCappedCylinderModel_members[] = { |
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[b1c3295] | 139 | {name_params, T_OBJECT, offsetof(CCappedCylinderModel, params), 0, def_params}, |
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| 140 | {name_dispersion, T_OBJECT, offsetof(CCappedCylinderModel, dispersion), 0, def_dispersion}, |
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| 141 | {name_log, T_OBJECT, offsetof(CCappedCylinderModel, log), 0, def_log}, |
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[339ce67] | 142 | {NULL} /* Sentinel */ |
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| 143 | }; |
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| 144 | |
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| 145 | /** Read double from PyObject |
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| 146 | @param p PyObject |
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| 147 | @return double |
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| 148 | */ |
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| 149 | double CCappedCylinderModel_readDouble(PyObject *p) { |
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| 150 | if (PyFloat_Check(p)==1) { |
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| 151 | return (double)(((PyFloatObject *)(p))->ob_fval); |
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| 152 | } else if (PyInt_Check(p)==1) { |
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| 153 | return (double)(((PyIntObject *)(p))->ob_ival); |
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| 154 | } else if (PyLong_Check(p)==1) { |
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| 155 | return (double)PyLong_AsLong(p); |
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| 156 | } else { |
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| 157 | return 0.0; |
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| 158 | } |
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| 159 | } |
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| 160 | /** |
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| 161 | * Function to call to evaluate model |
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| 162 | * @param args: input numpy array q[] |
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| 163 | * @return: numpy array object |
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| 164 | */ |
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| 165 | |
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| 166 | static PyObject *evaluateOneDim(CappedCylinderModel* model, PyArrayObject *q){ |
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| 167 | PyArrayObject *result; |
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| 168 | |
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| 169 | // Check validity of array q , q must be of dimension 1, an array of double |
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| 170 | if (q->nd != 1 || q->descr->type_num != PyArray_DOUBLE) |
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| 171 | { |
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| 172 | //const char * message= "Invalid array: q->nd=%d,type_num=%d\n",q->nd,q->descr->type_num; |
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| 173 | //PyErr_SetString(PyExc_ValueError , message); |
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| 174 | return NULL; |
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| 175 | } |
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[8f5b34a] | 176 | result = (PyArrayObject *)PyArray_FromDims(q->nd, (int *)(q->dimensions), PyArray_DOUBLE); |
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[339ce67] | 177 | if (result == NULL) { |
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| 178 | const char * message= "Could not create result "; |
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| 179 | PyErr_SetString(PyExc_RuntimeError , message); |
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| 180 | return NULL; |
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| 181 | } |
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[0b082f3] | 182 | #pragma omp parallel for |
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[339ce67] | 183 | for (int i = 0; i < q->dimensions[0]; i++){ |
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| 184 | double q_value = *(double *)(q->data + i*q->strides[0]); |
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| 185 | double *result_value = (double *)(result->data + i*result->strides[0]); |
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| 186 | *result_value =(*model)(q_value); |
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| 187 | } |
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| 188 | return PyArray_Return(result); |
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| 189 | } |
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| 190 | |
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| 191 | /** |
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| 192 | * Function to call to evaluate model |
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| 193 | * @param args: input numpy array [x[],y[]] |
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| 194 | * @return: numpy array object |
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| 195 | */ |
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| 196 | static PyObject * evaluateTwoDimXY( CappedCylinderModel* model, |
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| 197 | PyArrayObject *x, PyArrayObject *y) |
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| 198 | { |
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| 199 | PyArrayObject *result; |
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[0b082f3] | 200 | int x_len, y_len, dims[1]; |
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[339ce67] | 201 | //check validity of input vectors |
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| 202 | if (x->nd != 1 || x->descr->type_num != PyArray_DOUBLE |
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| 203 | || y->nd != 1 || y->descr->type_num != PyArray_DOUBLE |
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| 204 | || y->dimensions[0] != x->dimensions[0]){ |
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| 205 | const char * message= "evaluateTwoDimXY expect 2 numpy arrays"; |
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| 206 | PyErr_SetString(PyExc_ValueError , message); |
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| 207 | return NULL; |
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| 208 | } |
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| 209 | |
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| 210 | if (PyArray_Check(x) && PyArray_Check(y)) { |
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| 211 | |
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| 212 | x_len = dims[0]= x->dimensions[0]; |
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| 213 | y_len = dims[0]= y->dimensions[0]; |
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| 214 | |
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| 215 | // Make a new double matrix of same dims |
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[8f5b34a] | 216 | result=(PyArrayObject *) PyArray_FromDims(1,dims,NPY_DOUBLE); |
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[339ce67] | 217 | if (result == NULL){ |
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| 218 | const char * message= "Could not create result "; |
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| 219 | PyErr_SetString(PyExc_RuntimeError , message); |
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| 220 | return NULL; |
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| 221 | } |
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| 222 | |
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| 223 | /* Do the calculation. */ |
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[0b082f3] | 224 | #pragma omp parallel for |
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| 225 | for (int i=0; i< x_len; i++) { |
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[339ce67] | 226 | double x_value = *(double *)(x->data + i*x->strides[0]); |
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| 227 | double y_value = *(double *)(y->data + i*y->strides[0]); |
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| 228 | double *result_value = (double *)(result->data + |
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| 229 | i*result->strides[0]); |
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| 230 | *result_value = (*model)(x_value, y_value); |
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| 231 | } |
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| 232 | return PyArray_Return(result); |
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| 233 | |
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| 234 | }else{ |
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| 235 | PyErr_SetString(CCappedCylinderModelError, |
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| 236 | "CCappedCylinderModel.evaluateTwoDimXY couldn't run."); |
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| 237 | return NULL; |
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| 238 | } |
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| 239 | } |
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| 240 | /** |
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| 241 | * evalDistribution function evaluate a model function with input vector |
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| 242 | * @param args: input q as vector or [qx, qy] where qx, qy are vectors |
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| 243 | * |
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| 244 | */ |
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| 245 | static PyObject * evalDistribution(CCappedCylinderModel *self, PyObject *args){ |
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| 246 | PyObject *qx, *qy; |
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| 247 | PyArrayObject * pars; |
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| 248 | int npars ,mpars; |
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| 249 | |
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| 250 | // Get parameters |
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| 251 | |
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[b1c3295] | 252 | // Reader parameter dictionary |
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| 253 | self->model->phi = PyFloat_AsDouble( PyDict_GetItemString(self->params, "phi") ); |
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| 254 | self->model->len_cyl = PyFloat_AsDouble( PyDict_GetItemString(self->params, "len_cyl") ); |
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| 255 | self->model->sld_capcyl = PyFloat_AsDouble( PyDict_GetItemString(self->params, "sld_capcyl") ); |
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| 256 | self->model->scale = PyFloat_AsDouble( PyDict_GetItemString(self->params, "scale") ); |
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| 257 | self->model->background = PyFloat_AsDouble( PyDict_GetItemString(self->params, "background") ); |
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| 258 | self->model->theta = PyFloat_AsDouble( PyDict_GetItemString(self->params, "theta") ); |
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| 259 | self->model->rad_cap = PyFloat_AsDouble( PyDict_GetItemString(self->params, "rad_cap") ); |
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| 260 | self->model->sld_solv = PyFloat_AsDouble( PyDict_GetItemString(self->params, "sld_solv") ); |
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| 261 | self->model->rad_cyl = PyFloat_AsDouble( PyDict_GetItemString(self->params, "rad_cyl") ); |
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| 262 | // Read in dispersion parameters |
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| 263 | PyObject* disp_dict; |
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| 264 | DispersionVisitor* visitor = new DispersionVisitor(); |
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| 265 | disp_dict = PyDict_GetItemString(self->dispersion, "rad_cyl"); |
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| 266 | self->model->rad_cyl.dispersion->accept_as_destination(visitor, self->model->rad_cyl.dispersion, disp_dict); |
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| 267 | disp_dict = PyDict_GetItemString(self->dispersion, "len_cyl"); |
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| 268 | self->model->len_cyl.dispersion->accept_as_destination(visitor, self->model->len_cyl.dispersion, disp_dict); |
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| 269 | disp_dict = PyDict_GetItemString(self->dispersion, "rad_cap"); |
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| 270 | self->model->rad_cap.dispersion->accept_as_destination(visitor, self->model->rad_cap.dispersion, disp_dict); |
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| 271 | disp_dict = PyDict_GetItemString(self->dispersion, "phi"); |
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| 272 | self->model->phi.dispersion->accept_as_destination(visitor, self->model->phi.dispersion, disp_dict); |
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| 273 | disp_dict = PyDict_GetItemString(self->dispersion, "theta"); |
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| 274 | self->model->theta.dispersion->accept_as_destination(visitor, self->model->theta.dispersion, disp_dict); |
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[339ce67] | 275 | |
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| 276 | |
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| 277 | // Get input and determine whether we have to supply a 1D or 2D return value. |
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| 278 | if ( !PyArg_ParseTuple(args,"O",&pars) ) { |
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| 279 | PyErr_SetString(CCappedCylinderModelError, |
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| 280 | "CCappedCylinderModel.evalDistribution expects a q value."); |
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| 281 | return NULL; |
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| 282 | } |
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| 283 | // Check params |
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| 284 | |
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| 285 | if(PyArray_Check(pars)==1) { |
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| 286 | |
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| 287 | // Length of list should 1 or 2 |
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| 288 | npars = pars->nd; |
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| 289 | if(npars==1) { |
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| 290 | // input is a numpy array |
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| 291 | if (PyArray_Check(pars)) { |
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| 292 | return evaluateOneDim(self->model, (PyArrayObject*)pars); |
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| 293 | } |
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| 294 | }else{ |
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| 295 | PyErr_SetString(CCappedCylinderModelError, |
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| 296 | "CCappedCylinderModel.evalDistribution expect numpy array of one dimension."); |
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| 297 | return NULL; |
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| 298 | } |
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| 299 | }else if( PyList_Check(pars)==1) { |
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| 300 | // Length of list should be 2 for I(qx,qy) |
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| 301 | mpars = PyList_GET_SIZE(pars); |
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| 302 | if(mpars!=2) { |
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| 303 | PyErr_SetString(CCappedCylinderModelError, |
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| 304 | "CCappedCylinderModel.evalDistribution expects a list of dimension 2."); |
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| 305 | return NULL; |
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| 306 | } |
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| 307 | qx = PyList_GET_ITEM(pars,0); |
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| 308 | qy = PyList_GET_ITEM(pars,1); |
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| 309 | if (PyArray_Check(qx) && PyArray_Check(qy)) { |
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| 310 | return evaluateTwoDimXY(self->model, (PyArrayObject*)qx, |
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| 311 | (PyArrayObject*)qy); |
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| 312 | }else{ |
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| 313 | PyErr_SetString(CCappedCylinderModelError, |
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| 314 | "CCappedCylinderModel.evalDistribution expect 2 numpy arrays in list."); |
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| 315 | return NULL; |
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| 316 | } |
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| 317 | } |
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| 318 | PyErr_SetString(CCappedCylinderModelError, |
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| 319 | "CCappedCylinderModel.evalDistribution couln't be run."); |
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| 320 | return NULL; |
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| 321 | |
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| 322 | } |
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| 323 | |
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| 324 | /** |
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| 325 | * Function to call to evaluate model |
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| 326 | * @param args: input q or [q,phi] |
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| 327 | * @return: function value |
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| 328 | */ |
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| 329 | static PyObject * run(CCappedCylinderModel *self, PyObject *args) { |
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| 330 | double q_value, phi_value; |
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| 331 | PyObject* pars; |
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| 332 | int npars; |
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| 333 | |
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| 334 | // Get parameters |
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| 335 | |
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[b1c3295] | 336 | // Reader parameter dictionary |
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| 337 | self->model->phi = PyFloat_AsDouble( PyDict_GetItemString(self->params, "phi") ); |
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| 338 | self->model->len_cyl = PyFloat_AsDouble( PyDict_GetItemString(self->params, "len_cyl") ); |
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| 339 | self->model->sld_capcyl = PyFloat_AsDouble( PyDict_GetItemString(self->params, "sld_capcyl") ); |
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| 340 | self->model->scale = PyFloat_AsDouble( PyDict_GetItemString(self->params, "scale") ); |
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| 341 | self->model->background = PyFloat_AsDouble( PyDict_GetItemString(self->params, "background") ); |
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| 342 | self->model->theta = PyFloat_AsDouble( PyDict_GetItemString(self->params, "theta") ); |
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| 343 | self->model->rad_cap = PyFloat_AsDouble( PyDict_GetItemString(self->params, "rad_cap") ); |
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| 344 | self->model->sld_solv = PyFloat_AsDouble( PyDict_GetItemString(self->params, "sld_solv") ); |
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| 345 | self->model->rad_cyl = PyFloat_AsDouble( PyDict_GetItemString(self->params, "rad_cyl") ); |
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| 346 | // Read in dispersion parameters |
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| 347 | PyObject* disp_dict; |
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| 348 | DispersionVisitor* visitor = new DispersionVisitor(); |
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| 349 | disp_dict = PyDict_GetItemString(self->dispersion, "rad_cyl"); |
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| 350 | self->model->rad_cyl.dispersion->accept_as_destination(visitor, self->model->rad_cyl.dispersion, disp_dict); |
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| 351 | disp_dict = PyDict_GetItemString(self->dispersion, "len_cyl"); |
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| 352 | self->model->len_cyl.dispersion->accept_as_destination(visitor, self->model->len_cyl.dispersion, disp_dict); |
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| 353 | disp_dict = PyDict_GetItemString(self->dispersion, "rad_cap"); |
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| 354 | self->model->rad_cap.dispersion->accept_as_destination(visitor, self->model->rad_cap.dispersion, disp_dict); |
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| 355 | disp_dict = PyDict_GetItemString(self->dispersion, "phi"); |
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| 356 | self->model->phi.dispersion->accept_as_destination(visitor, self->model->phi.dispersion, disp_dict); |
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| 357 | disp_dict = PyDict_GetItemString(self->dispersion, "theta"); |
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| 358 | self->model->theta.dispersion->accept_as_destination(visitor, self->model->theta.dispersion, disp_dict); |
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[339ce67] | 359 | |
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| 360 | |
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| 361 | // Get input and determine whether we have to supply a 1D or 2D return value. |
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| 362 | if ( !PyArg_ParseTuple(args,"O",&pars) ) { |
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| 363 | PyErr_SetString(CCappedCylinderModelError, |
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| 364 | "CCappedCylinderModel.run expects a q value."); |
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| 365 | return NULL; |
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| 366 | } |
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| 367 | |
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| 368 | // Check params |
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| 369 | if( PyList_Check(pars)==1) { |
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| 370 | |
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| 371 | // Length of list should be 2 for I(q,phi) |
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| 372 | npars = PyList_GET_SIZE(pars); |
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| 373 | if(npars!=2) { |
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| 374 | PyErr_SetString(CCappedCylinderModelError, |
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| 375 | "CCappedCylinderModel.run expects a double or a list of dimension 2."); |
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| 376 | return NULL; |
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| 377 | } |
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| 378 | // We have a vector q, get the q and phi values at which |
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| 379 | // to evaluate I(q,phi) |
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| 380 | q_value = CCappedCylinderModel_readDouble(PyList_GET_ITEM(pars,0)); |
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| 381 | phi_value = CCappedCylinderModel_readDouble(PyList_GET_ITEM(pars,1)); |
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| 382 | // Skip zero |
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| 383 | if (q_value==0) { |
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| 384 | return Py_BuildValue("d",0.0); |
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| 385 | } |
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| 386 | return Py_BuildValue("d",(*(self->model)).evaluate_rphi(q_value,phi_value)); |
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| 387 | |
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| 388 | } else { |
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| 389 | |
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| 390 | // We have a scalar q, we will evaluate I(q) |
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| 391 | q_value = CCappedCylinderModel_readDouble(pars); |
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| 392 | |
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| 393 | return Py_BuildValue("d",(*(self->model))(q_value)); |
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| 394 | } |
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| 395 | } |
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| 396 | /** |
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| 397 | * Function to call to calculate_ER |
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| 398 | * @return: effective radius value |
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| 399 | */ |
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| 400 | static PyObject * calculate_ER(CCappedCylinderModel *self) { |
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| 401 | |
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| 402 | // Get parameters |
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| 403 | |
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[b1c3295] | 404 | // Reader parameter dictionary |
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| 405 | self->model->phi = PyFloat_AsDouble( PyDict_GetItemString(self->params, "phi") ); |
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| 406 | self->model->len_cyl = PyFloat_AsDouble( PyDict_GetItemString(self->params, "len_cyl") ); |
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| 407 | self->model->sld_capcyl = PyFloat_AsDouble( PyDict_GetItemString(self->params, "sld_capcyl") ); |
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| 408 | self->model->scale = PyFloat_AsDouble( PyDict_GetItemString(self->params, "scale") ); |
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| 409 | self->model->background = PyFloat_AsDouble( PyDict_GetItemString(self->params, "background") ); |
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| 410 | self->model->theta = PyFloat_AsDouble( PyDict_GetItemString(self->params, "theta") ); |
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| 411 | self->model->rad_cap = PyFloat_AsDouble( PyDict_GetItemString(self->params, "rad_cap") ); |
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| 412 | self->model->sld_solv = PyFloat_AsDouble( PyDict_GetItemString(self->params, "sld_solv") ); |
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| 413 | self->model->rad_cyl = PyFloat_AsDouble( PyDict_GetItemString(self->params, "rad_cyl") ); |
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| 414 | // Read in dispersion parameters |
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| 415 | PyObject* disp_dict; |
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| 416 | DispersionVisitor* visitor = new DispersionVisitor(); |
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| 417 | disp_dict = PyDict_GetItemString(self->dispersion, "rad_cyl"); |
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| 418 | self->model->rad_cyl.dispersion->accept_as_destination(visitor, self->model->rad_cyl.dispersion, disp_dict); |
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| 419 | disp_dict = PyDict_GetItemString(self->dispersion, "len_cyl"); |
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| 420 | self->model->len_cyl.dispersion->accept_as_destination(visitor, self->model->len_cyl.dispersion, disp_dict); |
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| 421 | disp_dict = PyDict_GetItemString(self->dispersion, "rad_cap"); |
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| 422 | self->model->rad_cap.dispersion->accept_as_destination(visitor, self->model->rad_cap.dispersion, disp_dict); |
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| 423 | disp_dict = PyDict_GetItemString(self->dispersion, "phi"); |
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| 424 | self->model->phi.dispersion->accept_as_destination(visitor, self->model->phi.dispersion, disp_dict); |
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| 425 | disp_dict = PyDict_GetItemString(self->dispersion, "theta"); |
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| 426 | self->model->theta.dispersion->accept_as_destination(visitor, self->model->theta.dispersion, disp_dict); |
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[339ce67] | 427 | |
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| 428 | |
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| 429 | return Py_BuildValue("d",(*(self->model)).calculate_ER()); |
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| 430 | |
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| 431 | } |
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| 432 | /** |
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| 433 | * Function to call to evaluate model in cartesian coordinates |
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| 434 | * @param args: input q or [qx, qy]] |
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| 435 | * @return: function value |
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| 436 | */ |
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| 437 | static PyObject * runXY(CCappedCylinderModel *self, PyObject *args) { |
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| 438 | double qx_value, qy_value; |
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| 439 | PyObject* pars; |
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| 440 | int npars; |
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| 441 | |
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| 442 | // Get parameters |
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| 443 | |
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[b1c3295] | 444 | // Reader parameter dictionary |
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| 445 | self->model->phi = PyFloat_AsDouble( PyDict_GetItemString(self->params, "phi") ); |
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| 446 | self->model->len_cyl = PyFloat_AsDouble( PyDict_GetItemString(self->params, "len_cyl") ); |
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| 447 | self->model->sld_capcyl = PyFloat_AsDouble( PyDict_GetItemString(self->params, "sld_capcyl") ); |
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| 448 | self->model->scale = PyFloat_AsDouble( PyDict_GetItemString(self->params, "scale") ); |
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| 449 | self->model->background = PyFloat_AsDouble( PyDict_GetItemString(self->params, "background") ); |
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| 450 | self->model->theta = PyFloat_AsDouble( PyDict_GetItemString(self->params, "theta") ); |
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| 451 | self->model->rad_cap = PyFloat_AsDouble( PyDict_GetItemString(self->params, "rad_cap") ); |
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| 452 | self->model->sld_solv = PyFloat_AsDouble( PyDict_GetItemString(self->params, "sld_solv") ); |
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| 453 | self->model->rad_cyl = PyFloat_AsDouble( PyDict_GetItemString(self->params, "rad_cyl") ); |
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| 454 | // Read in dispersion parameters |
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| 455 | PyObject* disp_dict; |
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| 456 | DispersionVisitor* visitor = new DispersionVisitor(); |
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| 457 | disp_dict = PyDict_GetItemString(self->dispersion, "rad_cyl"); |
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| 458 | self->model->rad_cyl.dispersion->accept_as_destination(visitor, self->model->rad_cyl.dispersion, disp_dict); |
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| 459 | disp_dict = PyDict_GetItemString(self->dispersion, "len_cyl"); |
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| 460 | self->model->len_cyl.dispersion->accept_as_destination(visitor, self->model->len_cyl.dispersion, disp_dict); |
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| 461 | disp_dict = PyDict_GetItemString(self->dispersion, "rad_cap"); |
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| 462 | self->model->rad_cap.dispersion->accept_as_destination(visitor, self->model->rad_cap.dispersion, disp_dict); |
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| 463 | disp_dict = PyDict_GetItemString(self->dispersion, "phi"); |
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| 464 | self->model->phi.dispersion->accept_as_destination(visitor, self->model->phi.dispersion, disp_dict); |
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| 465 | disp_dict = PyDict_GetItemString(self->dispersion, "theta"); |
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| 466 | self->model->theta.dispersion->accept_as_destination(visitor, self->model->theta.dispersion, disp_dict); |
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[339ce67] | 467 | |
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| 468 | |
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| 469 | // Get input and determine whether we have to supply a 1D or 2D return value. |
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| 470 | if ( !PyArg_ParseTuple(args,"O",&pars) ) { |
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| 471 | PyErr_SetString(CCappedCylinderModelError, |
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| 472 | "CCappedCylinderModel.run expects a q value."); |
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| 473 | return NULL; |
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| 474 | } |
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| 475 | |
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| 476 | // Check params |
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| 477 | if( PyList_Check(pars)==1) { |
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| 478 | |
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| 479 | // Length of list should be 2 for I(qx, qy)) |
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| 480 | npars = PyList_GET_SIZE(pars); |
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| 481 | if(npars!=2) { |
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| 482 | PyErr_SetString(CCappedCylinderModelError, |
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| 483 | "CCappedCylinderModel.run expects a double or a list of dimension 2."); |
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| 484 | return NULL; |
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| 485 | } |
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| 486 | // We have a vector q, get the qx and qy values at which |
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| 487 | // to evaluate I(qx,qy) |
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| 488 | qx_value = CCappedCylinderModel_readDouble(PyList_GET_ITEM(pars,0)); |
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| 489 | qy_value = CCappedCylinderModel_readDouble(PyList_GET_ITEM(pars,1)); |
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| 490 | return Py_BuildValue("d",(*(self->model))(qx_value,qy_value)); |
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| 491 | |
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| 492 | } else { |
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| 493 | |
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| 494 | // We have a scalar q, we will evaluate I(q) |
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| 495 | qx_value = CCappedCylinderModel_readDouble(pars); |
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| 496 | |
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| 497 | return Py_BuildValue("d",(*(self->model))(qx_value)); |
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| 498 | } |
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| 499 | } |
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| 500 | |
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| 501 | static PyObject * reset(CCappedCylinderModel *self, PyObject *args) { |
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[b1c3295] | 502 | |
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[339ce67] | 503 | |
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| 504 | return Py_BuildValue("d",0.0); |
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| 505 | } |
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| 506 | |
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| 507 | static PyObject * set_dispersion(CCappedCylinderModel *self, PyObject *args) { |
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| 508 | PyObject * disp; |
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| 509 | const char * par_name; |
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| 510 | |
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| 511 | if ( !PyArg_ParseTuple(args,"sO", &par_name, &disp) ) { |
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| 512 | PyErr_SetString(CCappedCylinderModelError, |
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| 513 | "CCappedCylinderModel.set_dispersion expects a DispersionModel object."); |
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| 514 | return NULL; |
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| 515 | } |
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| 516 | void *temp = PyCObject_AsVoidPtr(disp); |
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| 517 | DispersionModel * dispersion = static_cast<DispersionModel *>(temp); |
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| 518 | |
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| 519 | |
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| 520 | // Ugliness necessary to go from python to C |
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[b1c3295] | 521 | // TODO: refactor this |
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| 522 | if (!strcmp(par_name, "rad_cyl")) { |
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| 523 | self->model->rad_cyl.dispersion = dispersion; |
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| 524 | } else if (!strcmp(par_name, "len_cyl")) { |
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| 525 | self->model->len_cyl.dispersion = dispersion; |
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| 526 | } else if (!strcmp(par_name, "rad_cap")) { |
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| 527 | self->model->rad_cap.dispersion = dispersion; |
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| 528 | } else if (!strcmp(par_name, "phi")) { |
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| 529 | self->model->phi.dispersion = dispersion; |
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| 530 | } else if (!strcmp(par_name, "theta")) { |
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| 531 | self->model->theta.dispersion = dispersion; |
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[339ce67] | 532 | } else { |
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| 533 | PyErr_SetString(CCappedCylinderModelError, |
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| 534 | "CCappedCylinderModel.set_dispersion expects a valid parameter name."); |
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| 535 | return NULL; |
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| 536 | } |
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| 537 | |
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| 538 | DispersionVisitor* visitor = new DispersionVisitor(); |
---|
| 539 | PyObject * disp_dict = PyDict_New(); |
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| 540 | dispersion->accept_as_source(visitor, dispersion, disp_dict); |
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| 541 | PyDict_SetItemString(self->dispersion, par_name, disp_dict); |
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| 542 | return Py_BuildValue("i",1); |
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| 543 | } |
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| 544 | |
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| 545 | |
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| 546 | static PyMethodDef CCappedCylinderModel_methods[] = { |
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| 547 | {"run", (PyCFunction)run , METH_VARARGS, |
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| 548 | "Evaluate the model at a given Q or Q, phi"}, |
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| 549 | {"runXY", (PyCFunction)runXY , METH_VARARGS, |
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| 550 | "Evaluate the model at a given Q or Qx, Qy"}, |
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| 551 | {"calculate_ER", (PyCFunction)calculate_ER , METH_VARARGS, |
---|
| 552 | "Evaluate the model at a given Q or Q, phi"}, |
---|
| 553 | |
---|
| 554 | {"evalDistribution", (PyCFunction)evalDistribution , METH_VARARGS, |
---|
| 555 | "Evaluate the model at a given Q or Qx, Qy vector "}, |
---|
| 556 | {"reset", (PyCFunction)reset , METH_VARARGS, |
---|
| 557 | "Reset pair correlation"}, |
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| 558 | {"set_dispersion", (PyCFunction)set_dispersion , METH_VARARGS, |
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| 559 | "Set the dispersion model for a given parameter"}, |
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| 560 | {NULL} |
---|
| 561 | }; |
---|
| 562 | |
---|
| 563 | static PyTypeObject CCappedCylinderModelType = { |
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| 564 | PyObject_HEAD_INIT(NULL) |
---|
| 565 | 0, /*ob_size*/ |
---|
| 566 | "CCappedCylinderModel", /*tp_name*/ |
---|
| 567 | sizeof(CCappedCylinderModel), /*tp_basicsize*/ |
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| 568 | 0, /*tp_itemsize*/ |
---|
| 569 | (destructor)CCappedCylinderModel_dealloc, /*tp_dealloc*/ |
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| 570 | 0, /*tp_print*/ |
---|
| 571 | 0, /*tp_getattr*/ |
---|
| 572 | 0, /*tp_setattr*/ |
---|
| 573 | 0, /*tp_compare*/ |
---|
| 574 | 0, /*tp_repr*/ |
---|
| 575 | 0, /*tp_as_number*/ |
---|
| 576 | 0, /*tp_as_sequence*/ |
---|
| 577 | 0, /*tp_as_mapping*/ |
---|
| 578 | 0, /*tp_hash */ |
---|
| 579 | 0, /*tp_call*/ |
---|
| 580 | 0, /*tp_str*/ |
---|
| 581 | 0, /*tp_getattro*/ |
---|
| 582 | 0, /*tp_setattro*/ |
---|
| 583 | 0, /*tp_as_buffer*/ |
---|
| 584 | Py_TPFLAGS_DEFAULT | Py_TPFLAGS_BASETYPE, /*tp_flags*/ |
---|
| 585 | "CCappedCylinderModel objects", /* tp_doc */ |
---|
| 586 | 0, /* tp_traverse */ |
---|
| 587 | 0, /* tp_clear */ |
---|
| 588 | 0, /* tp_richcompare */ |
---|
| 589 | 0, /* tp_weaklistoffset */ |
---|
| 590 | 0, /* tp_iter */ |
---|
| 591 | 0, /* tp_iternext */ |
---|
| 592 | CCappedCylinderModel_methods, /* tp_methods */ |
---|
| 593 | CCappedCylinderModel_members, /* tp_members */ |
---|
| 594 | 0, /* tp_getset */ |
---|
| 595 | 0, /* tp_base */ |
---|
| 596 | 0, /* tp_dict */ |
---|
| 597 | 0, /* tp_descr_get */ |
---|
| 598 | 0, /* tp_descr_set */ |
---|
| 599 | 0, /* tp_dictoffset */ |
---|
| 600 | (initproc)CCappedCylinderModel_init, /* tp_init */ |
---|
| 601 | 0, /* tp_alloc */ |
---|
| 602 | CCappedCylinderModel_new, /* tp_new */ |
---|
| 603 | }; |
---|
| 604 | |
---|
| 605 | |
---|
| 606 | //static PyMethodDef module_methods[] = { |
---|
| 607 | // {NULL} |
---|
| 608 | //}; |
---|
| 609 | |
---|
| 610 | /** |
---|
| 611 | * Function used to add the model class to a module |
---|
| 612 | * @param module: module to add the class to |
---|
| 613 | */ |
---|
| 614 | void addCCappedCylinderModel(PyObject *module) { |
---|
| 615 | PyObject *d; |
---|
| 616 | |
---|
| 617 | if (PyType_Ready(&CCappedCylinderModelType) < 0) |
---|
| 618 | return; |
---|
| 619 | |
---|
| 620 | Py_INCREF(&CCappedCylinderModelType); |
---|
| 621 | PyModule_AddObject(module, "CCappedCylinderModel", (PyObject *)&CCappedCylinderModelType); |
---|
| 622 | |
---|
| 623 | d = PyModule_GetDict(module); |
---|
[2605da22] | 624 | static char error_name[] = "CCappedCylinderModel.error"; |
---|
| 625 | CCappedCylinderModelError = PyErr_NewException(error_name, NULL, NULL); |
---|
[339ce67] | 626 | PyDict_SetItemString(d, "CCappedCylinderModelError", CCappedCylinderModelError); |
---|
| 627 | } |
---|
[b1c3295] | 628 | |
---|