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 | /** CCSParallelepipedModel |
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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 src\sans\models\include\csparallelepiped.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 | |
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36 | } |
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37 | |
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38 | #include "csparallelepiped.h" |
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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 * CCSParallelepipedModelError = 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 | CSParallelepipedModel * model; |
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54 | /// Log for unit testing |
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55 | PyObject * log; |
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56 | } CCSParallelepipedModel; |
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57 | |
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58 | |
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59 | static void |
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60 | CCSParallelepipedModel_dealloc(CCSParallelepipedModel* 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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67 | |
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68 | |
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69 | } |
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70 | |
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71 | static PyObject * |
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72 | CCSParallelepipedModel_new(PyTypeObject *type, PyObject *args, PyObject *kwds) |
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73 | { |
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74 | CCSParallelepipedModel *self; |
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75 | |
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76 | self = (CCSParallelepipedModel *)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 | CCSParallelepipedModel_init(CCSParallelepipedModel *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 | |
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90 | self->model = new CSParallelepipedModel(); |
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91 | |
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92 | // Initialize parameter dictionary |
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93 | PyDict_SetItemString(self->params,"sld_rimB",Py_BuildValue("d",0.000004000000)); |
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94 | PyDict_SetItemString(self->params,"sld_rimC",Py_BuildValue("d",0.000002000000)); |
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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",0.060000000000)); |
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97 | PyDict_SetItemString(self->params,"parallel_psi",Py_BuildValue("d",0.000000000000)); |
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98 | PyDict_SetItemString(self->params,"midB",Py_BuildValue("d",75.000000000000)); |
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99 | PyDict_SetItemString(self->params,"parallel_theta",Py_BuildValue("d",0.000000000000)); |
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100 | PyDict_SetItemString(self->params,"parallel_phi",Py_BuildValue("d",0.000000000000)); |
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101 | PyDict_SetItemString(self->params,"sld_pcore",Py_BuildValue("d",0.000001000000)); |
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102 | PyDict_SetItemString(self->params,"sld_rimA",Py_BuildValue("d",0.000002000000)); |
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103 | PyDict_SetItemString(self->params,"shortA",Py_BuildValue("d",35.000000000000)); |
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104 | PyDict_SetItemString(self->params,"rimB",Py_BuildValue("d",10.000000000000)); |
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105 | PyDict_SetItemString(self->params,"rimC",Py_BuildValue("d",10.000000000000)); |
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106 | PyDict_SetItemString(self->params,"longC",Py_BuildValue("d",400.000000000000)); |
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107 | PyDict_SetItemString(self->params,"sld_solv",Py_BuildValue("d",0.000006000000)); |
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108 | PyDict_SetItemString(self->params,"rimA",Py_BuildValue("d",10.000000000000)); |
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109 | // Initialize dispersion / averaging parameter dict |
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110 | DispersionVisitor* visitor = new DispersionVisitor(); |
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111 | PyObject * disp_dict; |
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112 | disp_dict = PyDict_New(); |
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113 | self->model->shortA.dispersion->accept_as_source(visitor, self->model->shortA.dispersion, disp_dict); |
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114 | PyDict_SetItemString(self->dispersion, "shortA", disp_dict); |
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115 | disp_dict = PyDict_New(); |
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116 | self->model->midB.dispersion->accept_as_source(visitor, self->model->midB.dispersion, disp_dict); |
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117 | PyDict_SetItemString(self->dispersion, "midB", disp_dict); |
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118 | disp_dict = PyDict_New(); |
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119 | self->model->longC.dispersion->accept_as_source(visitor, self->model->longC.dispersion, disp_dict); |
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120 | PyDict_SetItemString(self->dispersion, "longC", disp_dict); |
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121 | disp_dict = PyDict_New(); |
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122 | self->model->parallel_phi.dispersion->accept_as_source(visitor, self->model->parallel_phi.dispersion, disp_dict); |
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123 | PyDict_SetItemString(self->dispersion, "parallel_phi", disp_dict); |
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124 | disp_dict = PyDict_New(); |
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125 | self->model->parallel_psi.dispersion->accept_as_source(visitor, self->model->parallel_psi.dispersion, disp_dict); |
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126 | PyDict_SetItemString(self->dispersion, "parallel_psi", disp_dict); |
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127 | disp_dict = PyDict_New(); |
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128 | self->model->parallel_theta.dispersion->accept_as_source(visitor, self->model->parallel_theta.dispersion, disp_dict); |
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129 | PyDict_SetItemString(self->dispersion, "parallel_theta", disp_dict); |
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130 | |
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131 | |
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132 | |
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133 | // Create empty log |
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134 | self->log = PyDict_New(); |
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135 | |
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136 | |
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137 | |
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138 | } |
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139 | return 0; |
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140 | } |
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141 | |
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142 | static char name_params[] = "params"; |
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143 | static char def_params[] = "Parameters"; |
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144 | static char name_dispersion[] = "dispersion"; |
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145 | static char def_dispersion[] = "Dispersion parameters"; |
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146 | static char name_log[] = "log"; |
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147 | static char def_log[] = "Log"; |
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148 | |
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149 | static PyMemberDef CCSParallelepipedModel_members[] = { |
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150 | {name_params, T_OBJECT, offsetof(CCSParallelepipedModel, params), 0, def_params}, |
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151 | {name_dispersion, T_OBJECT, offsetof(CCSParallelepipedModel, dispersion), 0, def_dispersion}, |
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152 | {name_log, T_OBJECT, offsetof(CCSParallelepipedModel, log), 0, def_log}, |
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153 | {NULL} /* Sentinel */ |
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154 | }; |
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155 | |
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156 | /** Read double from PyObject |
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157 | @param p PyObject |
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158 | @return double |
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159 | */ |
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160 | double CCSParallelepipedModel_readDouble(PyObject *p) { |
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161 | if (PyFloat_Check(p)==1) { |
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162 | return (double)(((PyFloatObject *)(p))->ob_fval); |
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163 | } else if (PyInt_Check(p)==1) { |
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164 | return (double)(((PyIntObject *)(p))->ob_ival); |
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165 | } else if (PyLong_Check(p)==1) { |
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166 | return (double)PyLong_AsLong(p); |
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167 | } else { |
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168 | return 0.0; |
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169 | } |
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170 | } |
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171 | /** |
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172 | * Function to call to evaluate model |
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173 | * @param args: input numpy array q[] |
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174 | * @return: numpy array object |
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175 | */ |
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176 | |
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177 | static PyObject *evaluateOneDim(CSParallelepipedModel* model, PyArrayObject *q){ |
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178 | PyArrayObject *result; |
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179 | |
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180 | // Check validity of array q , q must be of dimension 1, an array of double |
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181 | if (q->nd != 1 || q->descr->type_num != PyArray_DOUBLE) |
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182 | { |
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183 | //const char * message= "Invalid array: q->nd=%d,type_num=%d\n",q->nd,q->descr->type_num; |
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184 | //PyErr_SetString(PyExc_ValueError , message); |
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185 | return NULL; |
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186 | } |
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187 | result = (PyArrayObject *)PyArray_FromDims(q->nd, (int *)(q->dimensions), PyArray_DOUBLE); |
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188 | if (result == NULL) { |
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189 | const char * message= "Could not create result "; |
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190 | PyErr_SetString(PyExc_RuntimeError , message); |
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191 | return NULL; |
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192 | } |
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193 | #pragma omp parallel for |
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194 | for (int i = 0; i < q->dimensions[0]; i++){ |
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195 | double q_value = *(double *)(q->data + i*q->strides[0]); |
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196 | double *result_value = (double *)(result->data + i*result->strides[0]); |
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197 | *result_value =(*model)(q_value); |
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198 | } |
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199 | return PyArray_Return(result); |
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200 | } |
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201 | |
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202 | /** |
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203 | * Function to call to evaluate model |
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204 | * @param args: input numpy array [x[],y[]] |
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205 | * @return: numpy array object |
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206 | */ |
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207 | static PyObject * evaluateTwoDimXY( CSParallelepipedModel* model, |
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208 | PyArrayObject *x, PyArrayObject *y) |
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209 | { |
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210 | PyArrayObject *result; |
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211 | int x_len, y_len, dims[1]; |
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212 | //check validity of input vectors |
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213 | if (x->nd != 1 || x->descr->type_num != PyArray_DOUBLE |
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214 | || y->nd != 1 || y->descr->type_num != PyArray_DOUBLE |
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215 | || y->dimensions[0] != x->dimensions[0]){ |
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216 | const char * message= "evaluateTwoDimXY expect 2 numpy arrays"; |
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217 | PyErr_SetString(PyExc_ValueError , message); |
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218 | return NULL; |
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219 | } |
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220 | |
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221 | if (PyArray_Check(x) && PyArray_Check(y)) { |
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222 | |
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223 | x_len = dims[0]= x->dimensions[0]; |
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224 | y_len = dims[0]= y->dimensions[0]; |
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225 | |
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226 | // Make a new double matrix of same dims |
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227 | result=(PyArrayObject *) PyArray_FromDims(1,dims,NPY_DOUBLE); |
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228 | if (result == NULL){ |
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229 | const char * message= "Could not create result "; |
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230 | PyErr_SetString(PyExc_RuntimeError , message); |
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231 | return NULL; |
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232 | } |
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233 | |
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234 | /* Do the calculation. */ |
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235 | #pragma omp parallel for |
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236 | for (int i=0; i< x_len; i++) { |
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237 | double x_value = *(double *)(x->data + i*x->strides[0]); |
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238 | double y_value = *(double *)(y->data + i*y->strides[0]); |
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239 | double *result_value = (double *)(result->data + |
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240 | i*result->strides[0]); |
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241 | *result_value = (*model)(x_value, y_value); |
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242 | } |
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243 | return PyArray_Return(result); |
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244 | |
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245 | }else{ |
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246 | PyErr_SetString(CCSParallelepipedModelError, |
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247 | "CCSParallelepipedModel.evaluateTwoDimXY couldn't run."); |
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248 | return NULL; |
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249 | } |
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250 | } |
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251 | /** |
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252 | * evalDistribution function evaluate a model function with input vector |
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253 | * @param args: input q as vector or [qx, qy] where qx, qy are vectors |
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254 | * |
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255 | */ |
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256 | static PyObject * evalDistribution(CCSParallelepipedModel *self, PyObject *args){ |
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257 | PyObject *qx, *qy; |
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258 | PyArrayObject * pars; |
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259 | int npars ,mpars; |
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260 | |
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261 | // Get parameters |
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262 | |
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263 | // Reader parameter dictionary |
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264 | self->model->sld_rimB = PyFloat_AsDouble( PyDict_GetItemString(self->params, "sld_rimB") ); |
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265 | self->model->sld_rimC = PyFloat_AsDouble( PyDict_GetItemString(self->params, "sld_rimC") ); |
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266 | self->model->scale = PyFloat_AsDouble( PyDict_GetItemString(self->params, "scale") ); |
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267 | self->model->background = PyFloat_AsDouble( PyDict_GetItemString(self->params, "background") ); |
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268 | self->model->parallel_psi = PyFloat_AsDouble( PyDict_GetItemString(self->params, "parallel_psi") ); |
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269 | self->model->midB = PyFloat_AsDouble( PyDict_GetItemString(self->params, "midB") ); |
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270 | self->model->parallel_theta = PyFloat_AsDouble( PyDict_GetItemString(self->params, "parallel_theta") ); |
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271 | self->model->parallel_phi = PyFloat_AsDouble( PyDict_GetItemString(self->params, "parallel_phi") ); |
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272 | self->model->sld_pcore = PyFloat_AsDouble( PyDict_GetItemString(self->params, "sld_pcore") ); |
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273 | self->model->sld_rimA = PyFloat_AsDouble( PyDict_GetItemString(self->params, "sld_rimA") ); |
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274 | self->model->shortA = PyFloat_AsDouble( PyDict_GetItemString(self->params, "shortA") ); |
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275 | self->model->rimB = PyFloat_AsDouble( PyDict_GetItemString(self->params, "rimB") ); |
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276 | self->model->rimC = PyFloat_AsDouble( PyDict_GetItemString(self->params, "rimC") ); |
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277 | self->model->longC = PyFloat_AsDouble( PyDict_GetItemString(self->params, "longC") ); |
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278 | self->model->sld_solv = PyFloat_AsDouble( PyDict_GetItemString(self->params, "sld_solv") ); |
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279 | self->model->rimA = PyFloat_AsDouble( PyDict_GetItemString(self->params, "rimA") ); |
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280 | // Read in dispersion parameters |
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281 | PyObject* disp_dict; |
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282 | DispersionVisitor* visitor = new DispersionVisitor(); |
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283 | disp_dict = PyDict_GetItemString(self->dispersion, "shortA"); |
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284 | self->model->shortA.dispersion->accept_as_destination(visitor, self->model->shortA.dispersion, disp_dict); |
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285 | disp_dict = PyDict_GetItemString(self->dispersion, "midB"); |
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286 | self->model->midB.dispersion->accept_as_destination(visitor, self->model->midB.dispersion, disp_dict); |
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287 | disp_dict = PyDict_GetItemString(self->dispersion, "longC"); |
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288 | self->model->longC.dispersion->accept_as_destination(visitor, self->model->longC.dispersion, disp_dict); |
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289 | disp_dict = PyDict_GetItemString(self->dispersion, "parallel_phi"); |
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290 | self->model->parallel_phi.dispersion->accept_as_destination(visitor, self->model->parallel_phi.dispersion, disp_dict); |
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291 | disp_dict = PyDict_GetItemString(self->dispersion, "parallel_psi"); |
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292 | self->model->parallel_psi.dispersion->accept_as_destination(visitor, self->model->parallel_psi.dispersion, disp_dict); |
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293 | disp_dict = PyDict_GetItemString(self->dispersion, "parallel_theta"); |
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294 | self->model->parallel_theta.dispersion->accept_as_destination(visitor, self->model->parallel_theta.dispersion, disp_dict); |
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295 | |
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296 | |
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297 | // Get input and determine whether we have to supply a 1D or 2D return value. |
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298 | if ( !PyArg_ParseTuple(args,"O",&pars) ) { |
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299 | PyErr_SetString(CCSParallelepipedModelError, |
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300 | "CCSParallelepipedModel.evalDistribution expects a q value."); |
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301 | return NULL; |
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302 | } |
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303 | // Check params |
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304 | |
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305 | if(PyArray_Check(pars)==1) { |
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306 | |
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307 | // Length of list should 1 or 2 |
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308 | npars = pars->nd; |
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309 | if(npars==1) { |
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310 | // input is a numpy array |
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311 | if (PyArray_Check(pars)) { |
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312 | return evaluateOneDim(self->model, (PyArrayObject*)pars); |
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313 | } |
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314 | }else{ |
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315 | PyErr_SetString(CCSParallelepipedModelError, |
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316 | "CCSParallelepipedModel.evalDistribution expect numpy array of one dimension."); |
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317 | return NULL; |
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318 | } |
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319 | }else if( PyList_Check(pars)==1) { |
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320 | // Length of list should be 2 for I(qx,qy) |
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321 | mpars = PyList_GET_SIZE(pars); |
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322 | if(mpars!=2) { |
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323 | PyErr_SetString(CCSParallelepipedModelError, |
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324 | "CCSParallelepipedModel.evalDistribution expects a list of dimension 2."); |
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325 | return NULL; |
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326 | } |
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327 | qx = PyList_GET_ITEM(pars,0); |
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328 | qy = PyList_GET_ITEM(pars,1); |
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329 | if (PyArray_Check(qx) && PyArray_Check(qy)) { |
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330 | return evaluateTwoDimXY(self->model, (PyArrayObject*)qx, |
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331 | (PyArrayObject*)qy); |
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332 | }else{ |
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333 | PyErr_SetString(CCSParallelepipedModelError, |
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334 | "CCSParallelepipedModel.evalDistribution expect 2 numpy arrays in list."); |
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335 | return NULL; |
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336 | } |
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337 | } |
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338 | PyErr_SetString(CCSParallelepipedModelError, |
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339 | "CCSParallelepipedModel.evalDistribution couln't be run."); |
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340 | return NULL; |
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341 | |
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342 | } |
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343 | |
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344 | /** |
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345 | * Function to call to evaluate model |
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346 | * @param args: input q or [q,phi] |
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347 | * @return: function value |
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348 | */ |
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349 | static PyObject * run(CCSParallelepipedModel *self, PyObject *args) { |
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350 | double q_value, phi_value; |
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351 | PyObject* pars; |
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352 | int npars; |
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353 | |
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354 | // Get parameters |
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355 | |
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356 | // Reader parameter dictionary |
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357 | self->model->sld_rimB = PyFloat_AsDouble( PyDict_GetItemString(self->params, "sld_rimB") ); |
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358 | self->model->sld_rimC = PyFloat_AsDouble( PyDict_GetItemString(self->params, "sld_rimC") ); |
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359 | self->model->scale = PyFloat_AsDouble( PyDict_GetItemString(self->params, "scale") ); |
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360 | self->model->background = PyFloat_AsDouble( PyDict_GetItemString(self->params, "background") ); |
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361 | self->model->parallel_psi = PyFloat_AsDouble( PyDict_GetItemString(self->params, "parallel_psi") ); |
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362 | self->model->midB = PyFloat_AsDouble( PyDict_GetItemString(self->params, "midB") ); |
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363 | self->model->parallel_theta = PyFloat_AsDouble( PyDict_GetItemString(self->params, "parallel_theta") ); |
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364 | self->model->parallel_phi = PyFloat_AsDouble( PyDict_GetItemString(self->params, "parallel_phi") ); |
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365 | self->model->sld_pcore = PyFloat_AsDouble( PyDict_GetItemString(self->params, "sld_pcore") ); |
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366 | self->model->sld_rimA = PyFloat_AsDouble( PyDict_GetItemString(self->params, "sld_rimA") ); |
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367 | self->model->shortA = PyFloat_AsDouble( PyDict_GetItemString(self->params, "shortA") ); |
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368 | self->model->rimB = PyFloat_AsDouble( PyDict_GetItemString(self->params, "rimB") ); |
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369 | self->model->rimC = PyFloat_AsDouble( PyDict_GetItemString(self->params, "rimC") ); |
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370 | self->model->longC = PyFloat_AsDouble( PyDict_GetItemString(self->params, "longC") ); |
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371 | self->model->sld_solv = PyFloat_AsDouble( PyDict_GetItemString(self->params, "sld_solv") ); |
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372 | self->model->rimA = PyFloat_AsDouble( PyDict_GetItemString(self->params, "rimA") ); |
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373 | // Read in dispersion parameters |
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374 | PyObject* disp_dict; |
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375 | DispersionVisitor* visitor = new DispersionVisitor(); |
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376 | disp_dict = PyDict_GetItemString(self->dispersion, "shortA"); |
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377 | self->model->shortA.dispersion->accept_as_destination(visitor, self->model->shortA.dispersion, disp_dict); |
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378 | disp_dict = PyDict_GetItemString(self->dispersion, "midB"); |
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379 | self->model->midB.dispersion->accept_as_destination(visitor, self->model->midB.dispersion, disp_dict); |
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380 | disp_dict = PyDict_GetItemString(self->dispersion, "longC"); |
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381 | self->model->longC.dispersion->accept_as_destination(visitor, self->model->longC.dispersion, disp_dict); |
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382 | disp_dict = PyDict_GetItemString(self->dispersion, "parallel_phi"); |
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383 | self->model->parallel_phi.dispersion->accept_as_destination(visitor, self->model->parallel_phi.dispersion, disp_dict); |
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384 | disp_dict = PyDict_GetItemString(self->dispersion, "parallel_psi"); |
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385 | self->model->parallel_psi.dispersion->accept_as_destination(visitor, self->model->parallel_psi.dispersion, disp_dict); |
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386 | disp_dict = PyDict_GetItemString(self->dispersion, "parallel_theta"); |
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387 | self->model->parallel_theta.dispersion->accept_as_destination(visitor, self->model->parallel_theta.dispersion, disp_dict); |
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388 | |
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389 | |
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390 | // Get input and determine whether we have to supply a 1D or 2D return value. |
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391 | if ( !PyArg_ParseTuple(args,"O",&pars) ) { |
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392 | PyErr_SetString(CCSParallelepipedModelError, |
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393 | "CCSParallelepipedModel.run expects a q value."); |
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394 | return NULL; |
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395 | } |
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396 | |
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397 | // Check params |
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398 | if( PyList_Check(pars)==1) { |
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399 | |
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400 | // Length of list should be 2 for I(q,phi) |
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401 | npars = PyList_GET_SIZE(pars); |
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402 | if(npars!=2) { |
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403 | PyErr_SetString(CCSParallelepipedModelError, |
---|
404 | "CCSParallelepipedModel.run expects a double or a list of dimension 2."); |
---|
405 | return NULL; |
---|
406 | } |
---|
407 | // We have a vector q, get the q and phi values at which |
---|
408 | // to evaluate I(q,phi) |
---|
409 | q_value = CCSParallelepipedModel_readDouble(PyList_GET_ITEM(pars,0)); |
---|
410 | phi_value = CCSParallelepipedModel_readDouble(PyList_GET_ITEM(pars,1)); |
---|
411 | // Skip zero |
---|
412 | if (q_value==0) { |
---|
413 | return Py_BuildValue("d",0.0); |
---|
414 | } |
---|
415 | return Py_BuildValue("d",(*(self->model)).evaluate_rphi(q_value,phi_value)); |
---|
416 | |
---|
417 | } else { |
---|
418 | |
---|
419 | // We have a scalar q, we will evaluate I(q) |
---|
420 | q_value = CCSParallelepipedModel_readDouble(pars); |
---|
421 | |
---|
422 | return Py_BuildValue("d",(*(self->model))(q_value)); |
---|
423 | } |
---|
424 | } |
---|
425 | /** |
---|
426 | * Function to call to calculate_ER |
---|
427 | * @return: effective radius value |
---|
428 | */ |
---|
429 | static PyObject * calculate_ER(CCSParallelepipedModel *self) { |
---|
430 | |
---|
431 | // Get parameters |
---|
432 | |
---|
433 | // Reader parameter dictionary |
---|
434 | self->model->sld_rimB = PyFloat_AsDouble( PyDict_GetItemString(self->params, "sld_rimB") ); |
---|
435 | self->model->sld_rimC = PyFloat_AsDouble( PyDict_GetItemString(self->params, "sld_rimC") ); |
---|
436 | self->model->scale = PyFloat_AsDouble( PyDict_GetItemString(self->params, "scale") ); |
---|
437 | self->model->background = PyFloat_AsDouble( PyDict_GetItemString(self->params, "background") ); |
---|
438 | self->model->parallel_psi = PyFloat_AsDouble( PyDict_GetItemString(self->params, "parallel_psi") ); |
---|
439 | self->model->midB = PyFloat_AsDouble( PyDict_GetItemString(self->params, "midB") ); |
---|
440 | self->model->parallel_theta = PyFloat_AsDouble( PyDict_GetItemString(self->params, "parallel_theta") ); |
---|
441 | self->model->parallel_phi = PyFloat_AsDouble( PyDict_GetItemString(self->params, "parallel_phi") ); |
---|
442 | self->model->sld_pcore = PyFloat_AsDouble( PyDict_GetItemString(self->params, "sld_pcore") ); |
---|
443 | self->model->sld_rimA = PyFloat_AsDouble( PyDict_GetItemString(self->params, "sld_rimA") ); |
---|
444 | self->model->shortA = PyFloat_AsDouble( PyDict_GetItemString(self->params, "shortA") ); |
---|
445 | self->model->rimB = PyFloat_AsDouble( PyDict_GetItemString(self->params, "rimB") ); |
---|
446 | self->model->rimC = PyFloat_AsDouble( PyDict_GetItemString(self->params, "rimC") ); |
---|
447 | self->model->longC = PyFloat_AsDouble( PyDict_GetItemString(self->params, "longC") ); |
---|
448 | self->model->sld_solv = PyFloat_AsDouble( PyDict_GetItemString(self->params, "sld_solv") ); |
---|
449 | self->model->rimA = PyFloat_AsDouble( PyDict_GetItemString(self->params, "rimA") ); |
---|
450 | // Read in dispersion parameters |
---|
451 | PyObject* disp_dict; |
---|
452 | DispersionVisitor* visitor = new DispersionVisitor(); |
---|
453 | disp_dict = PyDict_GetItemString(self->dispersion, "shortA"); |
---|
454 | self->model->shortA.dispersion->accept_as_destination(visitor, self->model->shortA.dispersion, disp_dict); |
---|
455 | disp_dict = PyDict_GetItemString(self->dispersion, "midB"); |
---|
456 | self->model->midB.dispersion->accept_as_destination(visitor, self->model->midB.dispersion, disp_dict); |
---|
457 | disp_dict = PyDict_GetItemString(self->dispersion, "longC"); |
---|
458 | self->model->longC.dispersion->accept_as_destination(visitor, self->model->longC.dispersion, disp_dict); |
---|
459 | disp_dict = PyDict_GetItemString(self->dispersion, "parallel_phi"); |
---|
460 | self->model->parallel_phi.dispersion->accept_as_destination(visitor, self->model->parallel_phi.dispersion, disp_dict); |
---|
461 | disp_dict = PyDict_GetItemString(self->dispersion, "parallel_psi"); |
---|
462 | self->model->parallel_psi.dispersion->accept_as_destination(visitor, self->model->parallel_psi.dispersion, disp_dict); |
---|
463 | disp_dict = PyDict_GetItemString(self->dispersion, "parallel_theta"); |
---|
464 | self->model->parallel_theta.dispersion->accept_as_destination(visitor, self->model->parallel_theta.dispersion, disp_dict); |
---|
465 | |
---|
466 | |
---|
467 | return Py_BuildValue("d",(*(self->model)).calculate_ER()); |
---|
468 | |
---|
469 | } |
---|
470 | /** |
---|
471 | * Function to call to cal the ratio shell volume/ total volume |
---|
472 | * @return: the ratio shell volume/ total volume |
---|
473 | */ |
---|
474 | static PyObject * calculate_VR(CCSParallelepipedModel *self) { |
---|
475 | |
---|
476 | // Get parameters |
---|
477 | |
---|
478 | // Reader parameter dictionary |
---|
479 | self->model->sld_rimB = PyFloat_AsDouble( PyDict_GetItemString(self->params, "sld_rimB") ); |
---|
480 | self->model->sld_rimC = PyFloat_AsDouble( PyDict_GetItemString(self->params, "sld_rimC") ); |
---|
481 | self->model->scale = PyFloat_AsDouble( PyDict_GetItemString(self->params, "scale") ); |
---|
482 | self->model->background = PyFloat_AsDouble( PyDict_GetItemString(self->params, "background") ); |
---|
483 | self->model->parallel_psi = PyFloat_AsDouble( PyDict_GetItemString(self->params, "parallel_psi") ); |
---|
484 | self->model->midB = PyFloat_AsDouble( PyDict_GetItemString(self->params, "midB") ); |
---|
485 | self->model->parallel_theta = PyFloat_AsDouble( PyDict_GetItemString(self->params, "parallel_theta") ); |
---|
486 | self->model->parallel_phi = PyFloat_AsDouble( PyDict_GetItemString(self->params, "parallel_phi") ); |
---|
487 | self->model->sld_pcore = PyFloat_AsDouble( PyDict_GetItemString(self->params, "sld_pcore") ); |
---|
488 | self->model->sld_rimA = PyFloat_AsDouble( PyDict_GetItemString(self->params, "sld_rimA") ); |
---|
489 | self->model->shortA = PyFloat_AsDouble( PyDict_GetItemString(self->params, "shortA") ); |
---|
490 | self->model->rimB = PyFloat_AsDouble( PyDict_GetItemString(self->params, "rimB") ); |
---|
491 | self->model->rimC = PyFloat_AsDouble( PyDict_GetItemString(self->params, "rimC") ); |
---|
492 | self->model->longC = PyFloat_AsDouble( PyDict_GetItemString(self->params, "longC") ); |
---|
493 | self->model->sld_solv = PyFloat_AsDouble( PyDict_GetItemString(self->params, "sld_solv") ); |
---|
494 | self->model->rimA = PyFloat_AsDouble( PyDict_GetItemString(self->params, "rimA") ); |
---|
495 | // Read in dispersion parameters |
---|
496 | PyObject* disp_dict; |
---|
497 | DispersionVisitor* visitor = new DispersionVisitor(); |
---|
498 | disp_dict = PyDict_GetItemString(self->dispersion, "shortA"); |
---|
499 | self->model->shortA.dispersion->accept_as_destination(visitor, self->model->shortA.dispersion, disp_dict); |
---|
500 | disp_dict = PyDict_GetItemString(self->dispersion, "midB"); |
---|
501 | self->model->midB.dispersion->accept_as_destination(visitor, self->model->midB.dispersion, disp_dict); |
---|
502 | disp_dict = PyDict_GetItemString(self->dispersion, "longC"); |
---|
503 | self->model->longC.dispersion->accept_as_destination(visitor, self->model->longC.dispersion, disp_dict); |
---|
504 | disp_dict = PyDict_GetItemString(self->dispersion, "parallel_phi"); |
---|
505 | self->model->parallel_phi.dispersion->accept_as_destination(visitor, self->model->parallel_phi.dispersion, disp_dict); |
---|
506 | disp_dict = PyDict_GetItemString(self->dispersion, "parallel_psi"); |
---|
507 | self->model->parallel_psi.dispersion->accept_as_destination(visitor, self->model->parallel_psi.dispersion, disp_dict); |
---|
508 | disp_dict = PyDict_GetItemString(self->dispersion, "parallel_theta"); |
---|
509 | self->model->parallel_theta.dispersion->accept_as_destination(visitor, self->model->parallel_theta.dispersion, disp_dict); |
---|
510 | |
---|
511 | |
---|
512 | return Py_BuildValue("d",(*(self->model)).calculate_VR()); |
---|
513 | |
---|
514 | } |
---|
515 | /** |
---|
516 | * Function to call to evaluate model in cartesian coordinates |
---|
517 | * @param args: input q or [qx, qy]] |
---|
518 | * @return: function value |
---|
519 | */ |
---|
520 | static PyObject * runXY(CCSParallelepipedModel *self, PyObject *args) { |
---|
521 | double qx_value, qy_value; |
---|
522 | PyObject* pars; |
---|
523 | int npars; |
---|
524 | |
---|
525 | // Get parameters |
---|
526 | |
---|
527 | // Reader parameter dictionary |
---|
528 | self->model->sld_rimB = PyFloat_AsDouble( PyDict_GetItemString(self->params, "sld_rimB") ); |
---|
529 | self->model->sld_rimC = PyFloat_AsDouble( PyDict_GetItemString(self->params, "sld_rimC") ); |
---|
530 | self->model->scale = PyFloat_AsDouble( PyDict_GetItemString(self->params, "scale") ); |
---|
531 | self->model->background = PyFloat_AsDouble( PyDict_GetItemString(self->params, "background") ); |
---|
532 | self->model->parallel_psi = PyFloat_AsDouble( PyDict_GetItemString(self->params, "parallel_psi") ); |
---|
533 | self->model->midB = PyFloat_AsDouble( PyDict_GetItemString(self->params, "midB") ); |
---|
534 | self->model->parallel_theta = PyFloat_AsDouble( PyDict_GetItemString(self->params, "parallel_theta") ); |
---|
535 | self->model->parallel_phi = PyFloat_AsDouble( PyDict_GetItemString(self->params, "parallel_phi") ); |
---|
536 | self->model->sld_pcore = PyFloat_AsDouble( PyDict_GetItemString(self->params, "sld_pcore") ); |
---|
537 | self->model->sld_rimA = PyFloat_AsDouble( PyDict_GetItemString(self->params, "sld_rimA") ); |
---|
538 | self->model->shortA = PyFloat_AsDouble( PyDict_GetItemString(self->params, "shortA") ); |
---|
539 | self->model->rimB = PyFloat_AsDouble( PyDict_GetItemString(self->params, "rimB") ); |
---|
540 | self->model->rimC = PyFloat_AsDouble( PyDict_GetItemString(self->params, "rimC") ); |
---|
541 | self->model->longC = PyFloat_AsDouble( PyDict_GetItemString(self->params, "longC") ); |
---|
542 | self->model->sld_solv = PyFloat_AsDouble( PyDict_GetItemString(self->params, "sld_solv") ); |
---|
543 | self->model->rimA = PyFloat_AsDouble( PyDict_GetItemString(self->params, "rimA") ); |
---|
544 | // Read in dispersion parameters |
---|
545 | PyObject* disp_dict; |
---|
546 | DispersionVisitor* visitor = new DispersionVisitor(); |
---|
547 | disp_dict = PyDict_GetItemString(self->dispersion, "shortA"); |
---|
548 | self->model->shortA.dispersion->accept_as_destination(visitor, self->model->shortA.dispersion, disp_dict); |
---|
549 | disp_dict = PyDict_GetItemString(self->dispersion, "midB"); |
---|
550 | self->model->midB.dispersion->accept_as_destination(visitor, self->model->midB.dispersion, disp_dict); |
---|
551 | disp_dict = PyDict_GetItemString(self->dispersion, "longC"); |
---|
552 | self->model->longC.dispersion->accept_as_destination(visitor, self->model->longC.dispersion, disp_dict); |
---|
553 | disp_dict = PyDict_GetItemString(self->dispersion, "parallel_phi"); |
---|
554 | self->model->parallel_phi.dispersion->accept_as_destination(visitor, self->model->parallel_phi.dispersion, disp_dict); |
---|
555 | disp_dict = PyDict_GetItemString(self->dispersion, "parallel_psi"); |
---|
556 | self->model->parallel_psi.dispersion->accept_as_destination(visitor, self->model->parallel_psi.dispersion, disp_dict); |
---|
557 | disp_dict = PyDict_GetItemString(self->dispersion, "parallel_theta"); |
---|
558 | self->model->parallel_theta.dispersion->accept_as_destination(visitor, self->model->parallel_theta.dispersion, disp_dict); |
---|
559 | |
---|
560 | |
---|
561 | // Get input and determine whether we have to supply a 1D or 2D return value. |
---|
562 | if ( !PyArg_ParseTuple(args,"O",&pars) ) { |
---|
563 | PyErr_SetString(CCSParallelepipedModelError, |
---|
564 | "CCSParallelepipedModel.run expects a q value."); |
---|
565 | return NULL; |
---|
566 | } |
---|
567 | |
---|
568 | // Check params |
---|
569 | if( PyList_Check(pars)==1) { |
---|
570 | |
---|
571 | // Length of list should be 2 for I(qx, qy)) |
---|
572 | npars = PyList_GET_SIZE(pars); |
---|
573 | if(npars!=2) { |
---|
574 | PyErr_SetString(CCSParallelepipedModelError, |
---|
575 | "CCSParallelepipedModel.run expects a double or a list of dimension 2."); |
---|
576 | return NULL; |
---|
577 | } |
---|
578 | // We have a vector q, get the qx and qy values at which |
---|
579 | // to evaluate I(qx,qy) |
---|
580 | qx_value = CCSParallelepipedModel_readDouble(PyList_GET_ITEM(pars,0)); |
---|
581 | qy_value = CCSParallelepipedModel_readDouble(PyList_GET_ITEM(pars,1)); |
---|
582 | return Py_BuildValue("d",(*(self->model))(qx_value,qy_value)); |
---|
583 | |
---|
584 | } else { |
---|
585 | |
---|
586 | // We have a scalar q, we will evaluate I(q) |
---|
587 | qx_value = CCSParallelepipedModel_readDouble(pars); |
---|
588 | |
---|
589 | return Py_BuildValue("d",(*(self->model))(qx_value)); |
---|
590 | } |
---|
591 | } |
---|
592 | |
---|
593 | static PyObject * reset(CCSParallelepipedModel *self, PyObject *args) { |
---|
594 | |
---|
595 | |
---|
596 | return Py_BuildValue("d",0.0); |
---|
597 | } |
---|
598 | |
---|
599 | static PyObject * set_dispersion(CCSParallelepipedModel *self, PyObject *args) { |
---|
600 | PyObject * disp; |
---|
601 | const char * par_name; |
---|
602 | |
---|
603 | if ( !PyArg_ParseTuple(args,"sO", &par_name, &disp) ) { |
---|
604 | PyErr_SetString(CCSParallelepipedModelError, |
---|
605 | "CCSParallelepipedModel.set_dispersion expects a DispersionModel object."); |
---|
606 | return NULL; |
---|
607 | } |
---|
608 | void *temp = PyCObject_AsVoidPtr(disp); |
---|
609 | DispersionModel * dispersion = static_cast<DispersionModel *>(temp); |
---|
610 | |
---|
611 | |
---|
612 | // Ugliness necessary to go from python to C |
---|
613 | // TODO: refactor this |
---|
614 | if (!strcmp(par_name, "shortA")) { |
---|
615 | self->model->shortA.dispersion = dispersion; |
---|
616 | } else if (!strcmp(par_name, "midB")) { |
---|
617 | self->model->midB.dispersion = dispersion; |
---|
618 | } else if (!strcmp(par_name, "longC")) { |
---|
619 | self->model->longC.dispersion = dispersion; |
---|
620 | } else if (!strcmp(par_name, "parallel_phi")) { |
---|
621 | self->model->parallel_phi.dispersion = dispersion; |
---|
622 | } else if (!strcmp(par_name, "parallel_psi")) { |
---|
623 | self->model->parallel_psi.dispersion = dispersion; |
---|
624 | } else if (!strcmp(par_name, "parallel_theta")) { |
---|
625 | self->model->parallel_theta.dispersion = dispersion; |
---|
626 | } else { |
---|
627 | PyErr_SetString(CCSParallelepipedModelError, |
---|
628 | "CCSParallelepipedModel.set_dispersion expects a valid parameter name."); |
---|
629 | return NULL; |
---|
630 | } |
---|
631 | |
---|
632 | DispersionVisitor* visitor = new DispersionVisitor(); |
---|
633 | PyObject * disp_dict = PyDict_New(); |
---|
634 | dispersion->accept_as_source(visitor, dispersion, disp_dict); |
---|
635 | PyDict_SetItemString(self->dispersion, par_name, disp_dict); |
---|
636 | return Py_BuildValue("i",1); |
---|
637 | } |
---|
638 | |
---|
639 | |
---|
640 | static PyMethodDef CCSParallelepipedModel_methods[] = { |
---|
641 | {"run", (PyCFunction)run , METH_VARARGS, |
---|
642 | "Evaluate the model at a given Q or Q, phi"}, |
---|
643 | {"runXY", (PyCFunction)runXY , METH_VARARGS, |
---|
644 | "Evaluate the model at a given Q or Qx, Qy"}, |
---|
645 | {"calculate_ER", (PyCFunction)calculate_ER , METH_VARARGS, |
---|
646 | "Evaluate the model at a given Q or Q, phi"}, |
---|
647 | {"calculate_VR", (PyCFunction)calculate_VR , METH_VARARGS, |
---|
648 | "Evaluate VR"}, |
---|
649 | {"evalDistribution", (PyCFunction)evalDistribution , METH_VARARGS, |
---|
650 | "Evaluate the model at a given Q or Qx, Qy vector "}, |
---|
651 | {"reset", (PyCFunction)reset , METH_VARARGS, |
---|
652 | "Reset pair correlation"}, |
---|
653 | {"set_dispersion", (PyCFunction)set_dispersion , METH_VARARGS, |
---|
654 | "Set the dispersion model for a given parameter"}, |
---|
655 | {NULL} |
---|
656 | }; |
---|
657 | |
---|
658 | static PyTypeObject CCSParallelepipedModelType = { |
---|
659 | PyObject_HEAD_INIT(NULL) |
---|
660 | 0, /*ob_size*/ |
---|
661 | "CCSParallelepipedModel", /*tp_name*/ |
---|
662 | sizeof(CCSParallelepipedModel), /*tp_basicsize*/ |
---|
663 | 0, /*tp_itemsize*/ |
---|
664 | (destructor)CCSParallelepipedModel_dealloc, /*tp_dealloc*/ |
---|
665 | 0, /*tp_print*/ |
---|
666 | 0, /*tp_getattr*/ |
---|
667 | 0, /*tp_setattr*/ |
---|
668 | 0, /*tp_compare*/ |
---|
669 | 0, /*tp_repr*/ |
---|
670 | 0, /*tp_as_number*/ |
---|
671 | 0, /*tp_as_sequence*/ |
---|
672 | 0, /*tp_as_mapping*/ |
---|
673 | 0, /*tp_hash */ |
---|
674 | 0, /*tp_call*/ |
---|
675 | 0, /*tp_str*/ |
---|
676 | 0, /*tp_getattro*/ |
---|
677 | 0, /*tp_setattro*/ |
---|
678 | 0, /*tp_as_buffer*/ |
---|
679 | Py_TPFLAGS_DEFAULT | Py_TPFLAGS_BASETYPE, /*tp_flags*/ |
---|
680 | "CCSParallelepipedModel objects", /* tp_doc */ |
---|
681 | 0, /* tp_traverse */ |
---|
682 | 0, /* tp_clear */ |
---|
683 | 0, /* tp_richcompare */ |
---|
684 | 0, /* tp_weaklistoffset */ |
---|
685 | 0, /* tp_iter */ |
---|
686 | 0, /* tp_iternext */ |
---|
687 | CCSParallelepipedModel_methods, /* tp_methods */ |
---|
688 | CCSParallelepipedModel_members, /* tp_members */ |
---|
689 | 0, /* tp_getset */ |
---|
690 | 0, /* tp_base */ |
---|
691 | 0, /* tp_dict */ |
---|
692 | 0, /* tp_descr_get */ |
---|
693 | 0, /* tp_descr_set */ |
---|
694 | 0, /* tp_dictoffset */ |
---|
695 | (initproc)CCSParallelepipedModel_init, /* tp_init */ |
---|
696 | 0, /* tp_alloc */ |
---|
697 | CCSParallelepipedModel_new, /* tp_new */ |
---|
698 | }; |
---|
699 | |
---|
700 | |
---|
701 | //static PyMethodDef module_methods[] = { |
---|
702 | // {NULL} |
---|
703 | //}; |
---|
704 | |
---|
705 | /** |
---|
706 | * Function used to add the model class to a module |
---|
707 | * @param module: module to add the class to |
---|
708 | */ |
---|
709 | void addCCSParallelepipedModel(PyObject *module) { |
---|
710 | PyObject *d; |
---|
711 | |
---|
712 | if (PyType_Ready(&CCSParallelepipedModelType) < 0) |
---|
713 | return; |
---|
714 | |
---|
715 | Py_INCREF(&CCSParallelepipedModelType); |
---|
716 | PyModule_AddObject(module, "CCSParallelepipedModel", (PyObject *)&CCSParallelepipedModelType); |
---|
717 | |
---|
718 | d = PyModule_GetDict(module); |
---|
719 | static char error_name[] = "CCSParallelepipedModel.error"; |
---|
720 | CCSParallelepipedModelError = PyErr_NewException(error_name, NULL, NULL); |
---|
721 | PyDict_SetItemString(d, "CCSParallelepipedModelError", CCSParallelepipedModelError); |
---|
722 | } |
---|
723 | |
---|