[5068697] | 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 | /** CStackedDisksModel |
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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 stacked_disks.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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[9bd69098] | 24 | #define NO_IMPORT_ARRAY |
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| 25 | #define PY_ARRAY_UNIQUE_SYMBOL PyArray_API_sans |
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[5068697] | 26 | |
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| 27 | extern "C" { |
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| 28 | #include <Python.h> |
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[9bd69098] | 29 | #include <arrayobject.h> |
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[5068697] | 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 "stacked_disks.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 * CStackedDisksModelError = 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 | StackedDisksModel * model; |
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| 54 | /// Log for unit testing |
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| 55 | PyObject * log; |
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| 56 | } CStackedDisksModel; |
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| 57 | |
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| 58 | |
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| 59 | static void |
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| 60 | CStackedDisksModel_dealloc(CStackedDisksModel* self) |
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| 61 | { |
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[71e2de7] | 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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[5068697] | 66 | self->ob_type->tp_free((PyObject*)self); |
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[b1c3295] | 67 | |
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[5068697] | 68 | |
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| 69 | } |
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| 70 | |
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| 71 | static PyObject * |
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| 72 | CStackedDisksModel_new(PyTypeObject *type, PyObject *args, PyObject *kwds) |
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| 73 | { |
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| 74 | CStackedDisksModel *self; |
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| 75 | |
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| 76 | self = (CStackedDisksModel *)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 | CStackedDisksModel_init(CStackedDisksModel *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 StackedDisksModel(); |
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| 90 | |
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[b1c3295] | 91 | // Initialize parameter dictionary |
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| 92 | PyDict_SetItemString(self->params,"core_sld",Py_BuildValue("d",0.000004000000)); |
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| 93 | PyDict_SetItemString(self->params,"core_thick",Py_BuildValue("d",10.000000000000)); |
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| 94 | PyDict_SetItemString(self->params,"layer_thick",Py_BuildValue("d",15.000000000000)); |
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| 95 | PyDict_SetItemString(self->params,"axis_theta",Py_BuildValue("d",0.000000000000)); |
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| 96 | PyDict_SetItemString(self->params,"layer_sld",Py_BuildValue("d",-0.000000400000)); |
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| 97 | PyDict_SetItemString(self->params,"axis_phi",Py_BuildValue("d",0.000000000000)); |
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| 98 | PyDict_SetItemString(self->params,"solvent_sld",Py_BuildValue("d",0.000005000000)); |
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| 99 | PyDict_SetItemString(self->params,"scale",Py_BuildValue("d",0.010000000000)); |
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| 100 | PyDict_SetItemString(self->params,"radius",Py_BuildValue("d",3000.000000000000)); |
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| 101 | PyDict_SetItemString(self->params,"background",Py_BuildValue("d",0.001000000000)); |
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| 102 | PyDict_SetItemString(self->params,"sigma_d",Py_BuildValue("d",0.000000000000)); |
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| 103 | PyDict_SetItemString(self->params,"n_stacking",Py_BuildValue("d",1.000000000000)); |
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| 104 | // Initialize dispersion / averaging parameter dict |
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| 105 | DispersionVisitor* visitor = new DispersionVisitor(); |
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| 106 | PyObject * disp_dict; |
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| 107 | disp_dict = PyDict_New(); |
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| 108 | self->model->core_thick.dispersion->accept_as_source(visitor, self->model->core_thick.dispersion, disp_dict); |
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| 109 | PyDict_SetItemString(self->dispersion, "core_thick", disp_dict); |
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| 110 | disp_dict = PyDict_New(); |
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| 111 | self->model->layer_thick.dispersion->accept_as_source(visitor, self->model->layer_thick.dispersion, disp_dict); |
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| 112 | PyDict_SetItemString(self->dispersion, "layer_thick", disp_dict); |
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| 113 | disp_dict = PyDict_New(); |
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| 114 | self->model->radius.dispersion->accept_as_source(visitor, self->model->radius.dispersion, disp_dict); |
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| 115 | PyDict_SetItemString(self->dispersion, "radius", disp_dict); |
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| 116 | disp_dict = PyDict_New(); |
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| 117 | self->model->axis_theta.dispersion->accept_as_source(visitor, self->model->axis_theta.dispersion, disp_dict); |
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| 118 | PyDict_SetItemString(self->dispersion, "axis_theta", disp_dict); |
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| 119 | disp_dict = PyDict_New(); |
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| 120 | self->model->axis_phi.dispersion->accept_as_source(visitor, self->model->axis_phi.dispersion, disp_dict); |
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| 121 | PyDict_SetItemString(self->dispersion, "axis_phi", disp_dict); |
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| 122 | |
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[5068697] | 123 | |
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| 124 | |
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| 125 | // Create empty log |
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| 126 | self->log = PyDict_New(); |
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| 127 | |
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[b1c3295] | 128 | |
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[5068697] | 129 | |
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| 130 | } |
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| 131 | return 0; |
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| 132 | } |
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| 133 | |
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[b1c3295] | 134 | static char name_params[] = "params"; |
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| 135 | static char def_params[] = "Parameters"; |
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| 136 | static char name_dispersion[] = "dispersion"; |
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| 137 | static char def_dispersion[] = "Dispersion parameters"; |
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| 138 | static char name_log[] = "log"; |
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| 139 | static char def_log[] = "Log"; |
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| 140 | |
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[5068697] | 141 | static PyMemberDef CStackedDisksModel_members[] = { |
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[b1c3295] | 142 | {name_params, T_OBJECT, offsetof(CStackedDisksModel, params), 0, def_params}, |
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| 143 | {name_dispersion, T_OBJECT, offsetof(CStackedDisksModel, dispersion), 0, def_dispersion}, |
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| 144 | {name_log, T_OBJECT, offsetof(CStackedDisksModel, log), 0, def_log}, |
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[5068697] | 145 | {NULL} /* Sentinel */ |
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| 146 | }; |
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| 147 | |
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| 148 | /** Read double from PyObject |
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| 149 | @param p PyObject |
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| 150 | @return double |
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| 151 | */ |
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| 152 | double CStackedDisksModel_readDouble(PyObject *p) { |
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| 153 | if (PyFloat_Check(p)==1) { |
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| 154 | return (double)(((PyFloatObject *)(p))->ob_fval); |
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| 155 | } else if (PyInt_Check(p)==1) { |
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| 156 | return (double)(((PyIntObject *)(p))->ob_ival); |
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| 157 | } else if (PyLong_Check(p)==1) { |
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| 158 | return (double)PyLong_AsLong(p); |
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| 159 | } else { |
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| 160 | return 0.0; |
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| 161 | } |
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| 162 | } |
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[9bd69098] | 163 | /** |
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| 164 | * Function to call to evaluate model |
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| 165 | * @param args: input numpy array q[] |
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| 166 | * @return: numpy array object |
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| 167 | */ |
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| 168 | |
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| 169 | static PyObject *evaluateOneDim(StackedDisksModel* model, PyArrayObject *q){ |
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| 170 | PyArrayObject *result; |
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| 171 | |
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| 172 | // Check validity of array q , q must be of dimension 1, an array of double |
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| 173 | if (q->nd != 1 || q->descr->type_num != PyArray_DOUBLE) |
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| 174 | { |
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| 175 | //const char * message= "Invalid array: q->nd=%d,type_num=%d\n",q->nd,q->descr->type_num; |
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| 176 | //PyErr_SetString(PyExc_ValueError , message); |
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| 177 | return NULL; |
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| 178 | } |
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[8f5b34a] | 179 | result = (PyArrayObject *)PyArray_FromDims(q->nd, (int *)(q->dimensions), PyArray_DOUBLE); |
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[9bd69098] | 180 | if (result == NULL) { |
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| 181 | const char * message= "Could not create result "; |
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| 182 | PyErr_SetString(PyExc_RuntimeError , message); |
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| 183 | return NULL; |
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| 184 | } |
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[0b082f3] | 185 | #pragma omp parallel for |
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[9bd69098] | 186 | for (int i = 0; i < q->dimensions[0]; i++){ |
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| 187 | double q_value = *(double *)(q->data + i*q->strides[0]); |
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| 188 | double *result_value = (double *)(result->data + i*result->strides[0]); |
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| 189 | *result_value =(*model)(q_value); |
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| 190 | } |
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| 191 | return PyArray_Return(result); |
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| 192 | } |
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[5068697] | 193 | |
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[9bd69098] | 194 | /** |
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| 195 | * Function to call to evaluate model |
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| 196 | * @param args: input numpy array [x[],y[]] |
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| 197 | * @return: numpy array object |
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| 198 | */ |
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| 199 | static PyObject * evaluateTwoDimXY( StackedDisksModel* model, |
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| 200 | PyArrayObject *x, PyArrayObject *y) |
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| 201 | { |
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| 202 | PyArrayObject *result; |
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[0b082f3] | 203 | int x_len, y_len, dims[1]; |
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[9bd69098] | 204 | //check validity of input vectors |
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[3080527] | 205 | if (x->nd != 1 || x->descr->type_num != PyArray_DOUBLE |
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| 206 | || y->nd != 1 || y->descr->type_num != PyArray_DOUBLE |
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| 207 | || y->dimensions[0] != x->dimensions[0]){ |
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[9bd69098] | 208 | const char * message= "evaluateTwoDimXY expect 2 numpy arrays"; |
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| 209 | PyErr_SetString(PyExc_ValueError , message); |
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| 210 | return NULL; |
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| 211 | } |
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| 212 | |
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| 213 | if (PyArray_Check(x) && PyArray_Check(y)) { |
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[a8d6888] | 214 | |
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[3080527] | 215 | x_len = dims[0]= x->dimensions[0]; |
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[9ce41c6] | 216 | y_len = dims[0]= y->dimensions[0]; |
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[9bd69098] | 217 | |
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| 218 | // Make a new double matrix of same dims |
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[8f5b34a] | 219 | result=(PyArrayObject *) PyArray_FromDims(1,dims,NPY_DOUBLE); |
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[9bd69098] | 220 | if (result == NULL){ |
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| 221 | const char * message= "Could not create result "; |
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| 222 | PyErr_SetString(PyExc_RuntimeError , message); |
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| 223 | return NULL; |
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| 224 | } |
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| 225 | |
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| 226 | /* Do the calculation. */ |
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[0b082f3] | 227 | #pragma omp parallel for |
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| 228 | for (int i=0; i< x_len; i++) { |
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[3080527] | 229 | double x_value = *(double *)(x->data + i*x->strides[0]); |
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| 230 | double y_value = *(double *)(y->data + i*y->strides[0]); |
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| 231 | double *result_value = (double *)(result->data + |
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| 232 | i*result->strides[0]); |
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| 233 | *result_value = (*model)(x_value, y_value); |
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| 234 | } |
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[9bd69098] | 235 | return PyArray_Return(result); |
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| 236 | |
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| 237 | }else{ |
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| 238 | PyErr_SetString(CStackedDisksModelError, |
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| 239 | "CStackedDisksModel.evaluateTwoDimXY couldn't run."); |
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| 240 | return NULL; |
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| 241 | } |
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| 242 | } |
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| 243 | /** |
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| 244 | * evalDistribution function evaluate a model function with input vector |
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| 245 | * @param args: input q as vector or [qx, qy] where qx, qy are vectors |
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| 246 | * |
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| 247 | */ |
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| 248 | static PyObject * evalDistribution(CStackedDisksModel *self, PyObject *args){ |
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| 249 | PyObject *qx, *qy; |
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| 250 | PyArrayObject * pars; |
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| 251 | int npars ,mpars; |
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| 252 | |
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| 253 | // Get parameters |
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| 254 | |
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[b1c3295] | 255 | // Reader parameter dictionary |
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| 256 | self->model->core_sld = PyFloat_AsDouble( PyDict_GetItemString(self->params, "core_sld") ); |
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| 257 | self->model->core_thick = PyFloat_AsDouble( PyDict_GetItemString(self->params, "core_thick") ); |
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| 258 | self->model->layer_thick = PyFloat_AsDouble( PyDict_GetItemString(self->params, "layer_thick") ); |
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| 259 | self->model->axis_theta = PyFloat_AsDouble( PyDict_GetItemString(self->params, "axis_theta") ); |
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| 260 | self->model->layer_sld = PyFloat_AsDouble( PyDict_GetItemString(self->params, "layer_sld") ); |
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| 261 | self->model->axis_phi = PyFloat_AsDouble( PyDict_GetItemString(self->params, "axis_phi") ); |
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| 262 | self->model->solvent_sld = PyFloat_AsDouble( PyDict_GetItemString(self->params, "solvent_sld") ); |
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| 263 | self->model->scale = PyFloat_AsDouble( PyDict_GetItemString(self->params, "scale") ); |
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| 264 | self->model->radius = PyFloat_AsDouble( PyDict_GetItemString(self->params, "radius") ); |
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| 265 | self->model->background = PyFloat_AsDouble( PyDict_GetItemString(self->params, "background") ); |
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| 266 | self->model->sigma_d = PyFloat_AsDouble( PyDict_GetItemString(self->params, "sigma_d") ); |
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| 267 | self->model->n_stacking = PyFloat_AsDouble( PyDict_GetItemString(self->params, "n_stacking") ); |
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| 268 | // Read in dispersion parameters |
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| 269 | PyObject* disp_dict; |
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| 270 | DispersionVisitor* visitor = new DispersionVisitor(); |
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| 271 | disp_dict = PyDict_GetItemString(self->dispersion, "core_thick"); |
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| 272 | self->model->core_thick.dispersion->accept_as_destination(visitor, self->model->core_thick.dispersion, disp_dict); |
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| 273 | disp_dict = PyDict_GetItemString(self->dispersion, "layer_thick"); |
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| 274 | self->model->layer_thick.dispersion->accept_as_destination(visitor, self->model->layer_thick.dispersion, disp_dict); |
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| 275 | disp_dict = PyDict_GetItemString(self->dispersion, "radius"); |
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| 276 | self->model->radius.dispersion->accept_as_destination(visitor, self->model->radius.dispersion, disp_dict); |
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| 277 | disp_dict = PyDict_GetItemString(self->dispersion, "axis_theta"); |
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| 278 | self->model->axis_theta.dispersion->accept_as_destination(visitor, self->model->axis_theta.dispersion, disp_dict); |
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| 279 | disp_dict = PyDict_GetItemString(self->dispersion, "axis_phi"); |
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| 280 | self->model->axis_phi.dispersion->accept_as_destination(visitor, self->model->axis_phi.dispersion, disp_dict); |
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[9bd69098] | 281 | |
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| 282 | |
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| 283 | // Get input and determine whether we have to supply a 1D or 2D return value. |
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| 284 | if ( !PyArg_ParseTuple(args,"O",&pars) ) { |
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| 285 | PyErr_SetString(CStackedDisksModelError, |
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| 286 | "CStackedDisksModel.evalDistribution expects a q value."); |
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| 287 | return NULL; |
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| 288 | } |
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| 289 | // Check params |
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| 290 | |
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| 291 | if(PyArray_Check(pars)==1) { |
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| 292 | |
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| 293 | // Length of list should 1 or 2 |
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| 294 | npars = pars->nd; |
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| 295 | if(npars==1) { |
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| 296 | // input is a numpy array |
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| 297 | if (PyArray_Check(pars)) { |
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| 298 | return evaluateOneDim(self->model, (PyArrayObject*)pars); |
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| 299 | } |
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| 300 | }else{ |
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| 301 | PyErr_SetString(CStackedDisksModelError, |
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| 302 | "CStackedDisksModel.evalDistribution expect numpy array of one dimension."); |
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| 303 | return NULL; |
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| 304 | } |
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| 305 | }else if( PyList_Check(pars)==1) { |
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| 306 | // Length of list should be 2 for I(qx,qy) |
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| 307 | mpars = PyList_GET_SIZE(pars); |
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| 308 | if(mpars!=2) { |
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| 309 | PyErr_SetString(CStackedDisksModelError, |
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| 310 | "CStackedDisksModel.evalDistribution expects a list of dimension 2."); |
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| 311 | return NULL; |
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| 312 | } |
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| 313 | qx = PyList_GET_ITEM(pars,0); |
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| 314 | qy = PyList_GET_ITEM(pars,1); |
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| 315 | if (PyArray_Check(qx) && PyArray_Check(qy)) { |
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| 316 | return evaluateTwoDimXY(self->model, (PyArrayObject*)qx, |
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| 317 | (PyArrayObject*)qy); |
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| 318 | }else{ |
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| 319 | PyErr_SetString(CStackedDisksModelError, |
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| 320 | "CStackedDisksModel.evalDistribution expect 2 numpy arrays in list."); |
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| 321 | return NULL; |
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| 322 | } |
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| 323 | } |
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[e0a8a3c] | 324 | PyErr_SetString(CStackedDisksModelError, |
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| 325 | "CStackedDisksModel.evalDistribution couln't be run."); |
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| 326 | return NULL; |
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| 327 | |
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[9bd69098] | 328 | } |
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[5068697] | 329 | |
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| 330 | /** |
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| 331 | * Function to call to evaluate model |
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| 332 | * @param args: input q or [q,phi] |
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| 333 | * @return: function value |
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| 334 | */ |
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| 335 | static PyObject * run(CStackedDisksModel *self, PyObject *args) { |
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| 336 | double q_value, phi_value; |
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| 337 | PyObject* pars; |
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| 338 | int npars; |
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| 339 | |
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| 340 | // Get parameters |
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| 341 | |
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[b1c3295] | 342 | // Reader parameter dictionary |
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| 343 | self->model->core_sld = PyFloat_AsDouble( PyDict_GetItemString(self->params, "core_sld") ); |
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| 344 | self->model->core_thick = PyFloat_AsDouble( PyDict_GetItemString(self->params, "core_thick") ); |
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| 345 | self->model->layer_thick = PyFloat_AsDouble( PyDict_GetItemString(self->params, "layer_thick") ); |
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| 346 | self->model->axis_theta = PyFloat_AsDouble( PyDict_GetItemString(self->params, "axis_theta") ); |
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| 347 | self->model->layer_sld = PyFloat_AsDouble( PyDict_GetItemString(self->params, "layer_sld") ); |
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| 348 | self->model->axis_phi = PyFloat_AsDouble( PyDict_GetItemString(self->params, "axis_phi") ); |
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| 349 | self->model->solvent_sld = PyFloat_AsDouble( PyDict_GetItemString(self->params, "solvent_sld") ); |
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| 350 | self->model->scale = PyFloat_AsDouble( PyDict_GetItemString(self->params, "scale") ); |
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| 351 | self->model->radius = PyFloat_AsDouble( PyDict_GetItemString(self->params, "radius") ); |
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| 352 | self->model->background = PyFloat_AsDouble( PyDict_GetItemString(self->params, "background") ); |
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| 353 | self->model->sigma_d = PyFloat_AsDouble( PyDict_GetItemString(self->params, "sigma_d") ); |
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| 354 | self->model->n_stacking = PyFloat_AsDouble( PyDict_GetItemString(self->params, "n_stacking") ); |
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| 355 | // Read in dispersion parameters |
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| 356 | PyObject* disp_dict; |
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| 357 | DispersionVisitor* visitor = new DispersionVisitor(); |
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| 358 | disp_dict = PyDict_GetItemString(self->dispersion, "core_thick"); |
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| 359 | self->model->core_thick.dispersion->accept_as_destination(visitor, self->model->core_thick.dispersion, disp_dict); |
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| 360 | disp_dict = PyDict_GetItemString(self->dispersion, "layer_thick"); |
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| 361 | self->model->layer_thick.dispersion->accept_as_destination(visitor, self->model->layer_thick.dispersion, disp_dict); |
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| 362 | disp_dict = PyDict_GetItemString(self->dispersion, "radius"); |
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| 363 | self->model->radius.dispersion->accept_as_destination(visitor, self->model->radius.dispersion, disp_dict); |
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| 364 | disp_dict = PyDict_GetItemString(self->dispersion, "axis_theta"); |
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| 365 | self->model->axis_theta.dispersion->accept_as_destination(visitor, self->model->axis_theta.dispersion, disp_dict); |
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| 366 | disp_dict = PyDict_GetItemString(self->dispersion, "axis_phi"); |
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| 367 | self->model->axis_phi.dispersion->accept_as_destination(visitor, self->model->axis_phi.dispersion, disp_dict); |
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[5068697] | 368 | |
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| 369 | |
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| 370 | // Get input and determine whether we have to supply a 1D or 2D return value. |
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| 371 | if ( !PyArg_ParseTuple(args,"O",&pars) ) { |
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| 372 | PyErr_SetString(CStackedDisksModelError, |
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| 373 | "CStackedDisksModel.run expects a q value."); |
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| 374 | return NULL; |
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| 375 | } |
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| 376 | |
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| 377 | // Check params |
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| 378 | if( PyList_Check(pars)==1) { |
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| 379 | |
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| 380 | // Length of list should be 2 for I(q,phi) |
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| 381 | npars = PyList_GET_SIZE(pars); |
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| 382 | if(npars!=2) { |
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| 383 | PyErr_SetString(CStackedDisksModelError, |
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| 384 | "CStackedDisksModel.run expects a double or a list of dimension 2."); |
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| 385 | return NULL; |
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| 386 | } |
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| 387 | // We have a vector q, get the q and phi values at which |
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| 388 | // to evaluate I(q,phi) |
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| 389 | q_value = CStackedDisksModel_readDouble(PyList_GET_ITEM(pars,0)); |
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| 390 | phi_value = CStackedDisksModel_readDouble(PyList_GET_ITEM(pars,1)); |
---|
| 391 | // Skip zero |
---|
| 392 | if (q_value==0) { |
---|
| 393 | return Py_BuildValue("d",0.0); |
---|
| 394 | } |
---|
| 395 | return Py_BuildValue("d",(*(self->model)).evaluate_rphi(q_value,phi_value)); |
---|
| 396 | |
---|
| 397 | } else { |
---|
| 398 | |
---|
| 399 | // We have a scalar q, we will evaluate I(q) |
---|
| 400 | q_value = CStackedDisksModel_readDouble(pars); |
---|
| 401 | |
---|
| 402 | return Py_BuildValue("d",(*(self->model))(q_value)); |
---|
| 403 | } |
---|
| 404 | } |
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[5eb9154] | 405 | /** |
---|
| 406 | * Function to call to calculate_ER |
---|
| 407 | * @return: effective radius value |
---|
| 408 | */ |
---|
| 409 | static PyObject * calculate_ER(CStackedDisksModel *self) { |
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| 410 | |
---|
| 411 | // Get parameters |
---|
| 412 | |
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[b1c3295] | 413 | // Reader parameter dictionary |
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| 414 | self->model->core_sld = PyFloat_AsDouble( PyDict_GetItemString(self->params, "core_sld") ); |
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| 415 | self->model->core_thick = PyFloat_AsDouble( PyDict_GetItemString(self->params, "core_thick") ); |
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| 416 | self->model->layer_thick = PyFloat_AsDouble( PyDict_GetItemString(self->params, "layer_thick") ); |
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| 417 | self->model->axis_theta = PyFloat_AsDouble( PyDict_GetItemString(self->params, "axis_theta") ); |
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| 418 | self->model->layer_sld = PyFloat_AsDouble( PyDict_GetItemString(self->params, "layer_sld") ); |
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| 419 | self->model->axis_phi = PyFloat_AsDouble( PyDict_GetItemString(self->params, "axis_phi") ); |
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| 420 | self->model->solvent_sld = PyFloat_AsDouble( PyDict_GetItemString(self->params, "solvent_sld") ); |
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| 421 | self->model->scale = PyFloat_AsDouble( PyDict_GetItemString(self->params, "scale") ); |
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| 422 | self->model->radius = PyFloat_AsDouble( PyDict_GetItemString(self->params, "radius") ); |
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| 423 | self->model->background = PyFloat_AsDouble( PyDict_GetItemString(self->params, "background") ); |
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| 424 | self->model->sigma_d = PyFloat_AsDouble( PyDict_GetItemString(self->params, "sigma_d") ); |
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| 425 | self->model->n_stacking = PyFloat_AsDouble( PyDict_GetItemString(self->params, "n_stacking") ); |
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| 426 | // Read in dispersion parameters |
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| 427 | PyObject* disp_dict; |
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| 428 | DispersionVisitor* visitor = new DispersionVisitor(); |
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| 429 | disp_dict = PyDict_GetItemString(self->dispersion, "core_thick"); |
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| 430 | self->model->core_thick.dispersion->accept_as_destination(visitor, self->model->core_thick.dispersion, disp_dict); |
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| 431 | disp_dict = PyDict_GetItemString(self->dispersion, "layer_thick"); |
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| 432 | self->model->layer_thick.dispersion->accept_as_destination(visitor, self->model->layer_thick.dispersion, disp_dict); |
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| 433 | disp_dict = PyDict_GetItemString(self->dispersion, "radius"); |
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| 434 | self->model->radius.dispersion->accept_as_destination(visitor, self->model->radius.dispersion, disp_dict); |
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| 435 | disp_dict = PyDict_GetItemString(self->dispersion, "axis_theta"); |
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| 436 | self->model->axis_theta.dispersion->accept_as_destination(visitor, self->model->axis_theta.dispersion, disp_dict); |
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| 437 | disp_dict = PyDict_GetItemString(self->dispersion, "axis_phi"); |
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| 438 | self->model->axis_phi.dispersion->accept_as_destination(visitor, self->model->axis_phi.dispersion, disp_dict); |
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[5068697] | 439 | |
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[5eb9154] | 440 | |
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| 441 | return Py_BuildValue("d",(*(self->model)).calculate_ER()); |
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| 442 | |
---|
| 443 | } |
---|
[5068697] | 444 | /** |
---|
| 445 | * Function to call to evaluate model in cartesian coordinates |
---|
| 446 | * @param args: input q or [qx, qy]] |
---|
| 447 | * @return: function value |
---|
| 448 | */ |
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| 449 | static PyObject * runXY(CStackedDisksModel *self, PyObject *args) { |
---|
| 450 | double qx_value, qy_value; |
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| 451 | PyObject* pars; |
---|
| 452 | int npars; |
---|
| 453 | |
---|
| 454 | // Get parameters |
---|
| 455 | |
---|
[b1c3295] | 456 | // Reader parameter dictionary |
---|
| 457 | self->model->core_sld = PyFloat_AsDouble( PyDict_GetItemString(self->params, "core_sld") ); |
---|
| 458 | self->model->core_thick = PyFloat_AsDouble( PyDict_GetItemString(self->params, "core_thick") ); |
---|
| 459 | self->model->layer_thick = PyFloat_AsDouble( PyDict_GetItemString(self->params, "layer_thick") ); |
---|
| 460 | self->model->axis_theta = PyFloat_AsDouble( PyDict_GetItemString(self->params, "axis_theta") ); |
---|
| 461 | self->model->layer_sld = PyFloat_AsDouble( PyDict_GetItemString(self->params, "layer_sld") ); |
---|
| 462 | self->model->axis_phi = PyFloat_AsDouble( PyDict_GetItemString(self->params, "axis_phi") ); |
---|
| 463 | self->model->solvent_sld = PyFloat_AsDouble( PyDict_GetItemString(self->params, "solvent_sld") ); |
---|
| 464 | self->model->scale = PyFloat_AsDouble( PyDict_GetItemString(self->params, "scale") ); |
---|
| 465 | self->model->radius = PyFloat_AsDouble( PyDict_GetItemString(self->params, "radius") ); |
---|
| 466 | self->model->background = PyFloat_AsDouble( PyDict_GetItemString(self->params, "background") ); |
---|
| 467 | self->model->sigma_d = PyFloat_AsDouble( PyDict_GetItemString(self->params, "sigma_d") ); |
---|
| 468 | self->model->n_stacking = PyFloat_AsDouble( PyDict_GetItemString(self->params, "n_stacking") ); |
---|
| 469 | // Read in dispersion parameters |
---|
| 470 | PyObject* disp_dict; |
---|
| 471 | DispersionVisitor* visitor = new DispersionVisitor(); |
---|
| 472 | disp_dict = PyDict_GetItemString(self->dispersion, "core_thick"); |
---|
| 473 | self->model->core_thick.dispersion->accept_as_destination(visitor, self->model->core_thick.dispersion, disp_dict); |
---|
| 474 | disp_dict = PyDict_GetItemString(self->dispersion, "layer_thick"); |
---|
| 475 | self->model->layer_thick.dispersion->accept_as_destination(visitor, self->model->layer_thick.dispersion, disp_dict); |
---|
| 476 | disp_dict = PyDict_GetItemString(self->dispersion, "radius"); |
---|
| 477 | self->model->radius.dispersion->accept_as_destination(visitor, self->model->radius.dispersion, disp_dict); |
---|
| 478 | disp_dict = PyDict_GetItemString(self->dispersion, "axis_theta"); |
---|
| 479 | self->model->axis_theta.dispersion->accept_as_destination(visitor, self->model->axis_theta.dispersion, disp_dict); |
---|
| 480 | disp_dict = PyDict_GetItemString(self->dispersion, "axis_phi"); |
---|
| 481 | self->model->axis_phi.dispersion->accept_as_destination(visitor, self->model->axis_phi.dispersion, disp_dict); |
---|
[5068697] | 482 | |
---|
| 483 | |
---|
| 484 | // Get input and determine whether we have to supply a 1D or 2D return value. |
---|
| 485 | if ( !PyArg_ParseTuple(args,"O",&pars) ) { |
---|
| 486 | PyErr_SetString(CStackedDisksModelError, |
---|
| 487 | "CStackedDisksModel.run expects a q value."); |
---|
| 488 | return NULL; |
---|
| 489 | } |
---|
| 490 | |
---|
| 491 | // Check params |
---|
| 492 | if( PyList_Check(pars)==1) { |
---|
| 493 | |
---|
| 494 | // Length of list should be 2 for I(qx, qy)) |
---|
| 495 | npars = PyList_GET_SIZE(pars); |
---|
| 496 | if(npars!=2) { |
---|
| 497 | PyErr_SetString(CStackedDisksModelError, |
---|
| 498 | "CStackedDisksModel.run expects a double or a list of dimension 2."); |
---|
| 499 | return NULL; |
---|
| 500 | } |
---|
| 501 | // We have a vector q, get the qx and qy values at which |
---|
| 502 | // to evaluate I(qx,qy) |
---|
| 503 | qx_value = CStackedDisksModel_readDouble(PyList_GET_ITEM(pars,0)); |
---|
| 504 | qy_value = CStackedDisksModel_readDouble(PyList_GET_ITEM(pars,1)); |
---|
| 505 | return Py_BuildValue("d",(*(self->model))(qx_value,qy_value)); |
---|
| 506 | |
---|
| 507 | } else { |
---|
| 508 | |
---|
| 509 | // We have a scalar q, we will evaluate I(q) |
---|
| 510 | qx_value = CStackedDisksModel_readDouble(pars); |
---|
| 511 | |
---|
| 512 | return Py_BuildValue("d",(*(self->model))(qx_value)); |
---|
| 513 | } |
---|
| 514 | } |
---|
| 515 | |
---|
| 516 | static PyObject * reset(CStackedDisksModel *self, PyObject *args) { |
---|
[b1c3295] | 517 | |
---|
[5068697] | 518 | |
---|
| 519 | return Py_BuildValue("d",0.0); |
---|
| 520 | } |
---|
| 521 | |
---|
| 522 | static PyObject * set_dispersion(CStackedDisksModel *self, PyObject *args) { |
---|
| 523 | PyObject * disp; |
---|
| 524 | const char * par_name; |
---|
| 525 | |
---|
| 526 | if ( !PyArg_ParseTuple(args,"sO", &par_name, &disp) ) { |
---|
| 527 | PyErr_SetString(CStackedDisksModelError, |
---|
| 528 | "CStackedDisksModel.set_dispersion expects a DispersionModel object."); |
---|
| 529 | return NULL; |
---|
| 530 | } |
---|
| 531 | void *temp = PyCObject_AsVoidPtr(disp); |
---|
| 532 | DispersionModel * dispersion = static_cast<DispersionModel *>(temp); |
---|
| 533 | |
---|
| 534 | |
---|
| 535 | // Ugliness necessary to go from python to C |
---|
[b1c3295] | 536 | // TODO: refactor this |
---|
| 537 | if (!strcmp(par_name, "core_thick")) { |
---|
| 538 | self->model->core_thick.dispersion = dispersion; |
---|
| 539 | } else if (!strcmp(par_name, "layer_thick")) { |
---|
| 540 | self->model->layer_thick.dispersion = dispersion; |
---|
| 541 | } else if (!strcmp(par_name, "radius")) { |
---|
| 542 | self->model->radius.dispersion = dispersion; |
---|
| 543 | } else if (!strcmp(par_name, "axis_theta")) { |
---|
| 544 | self->model->axis_theta.dispersion = dispersion; |
---|
| 545 | } else if (!strcmp(par_name, "axis_phi")) { |
---|
| 546 | self->model->axis_phi.dispersion = dispersion; |
---|
[5068697] | 547 | } else { |
---|
| 548 | PyErr_SetString(CStackedDisksModelError, |
---|
| 549 | "CStackedDisksModel.set_dispersion expects a valid parameter name."); |
---|
| 550 | return NULL; |
---|
| 551 | } |
---|
| 552 | |
---|
| 553 | DispersionVisitor* visitor = new DispersionVisitor(); |
---|
| 554 | PyObject * disp_dict = PyDict_New(); |
---|
| 555 | dispersion->accept_as_source(visitor, dispersion, disp_dict); |
---|
| 556 | PyDict_SetItemString(self->dispersion, par_name, disp_dict); |
---|
| 557 | return Py_BuildValue("i",1); |
---|
| 558 | } |
---|
| 559 | |
---|
| 560 | |
---|
| 561 | static PyMethodDef CStackedDisksModel_methods[] = { |
---|
| 562 | {"run", (PyCFunction)run , METH_VARARGS, |
---|
| 563 | "Evaluate the model at a given Q or Q, phi"}, |
---|
| 564 | {"runXY", (PyCFunction)runXY , METH_VARARGS, |
---|
| 565 | "Evaluate the model at a given Q or Qx, Qy"}, |
---|
[5eb9154] | 566 | {"calculate_ER", (PyCFunction)calculate_ER , METH_VARARGS, |
---|
| 567 | "Evaluate the model at a given Q or Q, phi"}, |
---|
[9bd69098] | 568 | |
---|
| 569 | {"evalDistribution", (PyCFunction)evalDistribution , METH_VARARGS, |
---|
| 570 | "Evaluate the model at a given Q or Qx, Qy vector "}, |
---|
[5068697] | 571 | {"reset", (PyCFunction)reset , METH_VARARGS, |
---|
| 572 | "Reset pair correlation"}, |
---|
| 573 | {"set_dispersion", (PyCFunction)set_dispersion , METH_VARARGS, |
---|
| 574 | "Set the dispersion model for a given parameter"}, |
---|
| 575 | {NULL} |
---|
| 576 | }; |
---|
| 577 | |
---|
| 578 | static PyTypeObject CStackedDisksModelType = { |
---|
| 579 | PyObject_HEAD_INIT(NULL) |
---|
| 580 | 0, /*ob_size*/ |
---|
| 581 | "CStackedDisksModel", /*tp_name*/ |
---|
| 582 | sizeof(CStackedDisksModel), /*tp_basicsize*/ |
---|
| 583 | 0, /*tp_itemsize*/ |
---|
| 584 | (destructor)CStackedDisksModel_dealloc, /*tp_dealloc*/ |
---|
| 585 | 0, /*tp_print*/ |
---|
| 586 | 0, /*tp_getattr*/ |
---|
| 587 | 0, /*tp_setattr*/ |
---|
| 588 | 0, /*tp_compare*/ |
---|
| 589 | 0, /*tp_repr*/ |
---|
| 590 | 0, /*tp_as_number*/ |
---|
| 591 | 0, /*tp_as_sequence*/ |
---|
| 592 | 0, /*tp_as_mapping*/ |
---|
| 593 | 0, /*tp_hash */ |
---|
| 594 | 0, /*tp_call*/ |
---|
| 595 | 0, /*tp_str*/ |
---|
| 596 | 0, /*tp_getattro*/ |
---|
| 597 | 0, /*tp_setattro*/ |
---|
| 598 | 0, /*tp_as_buffer*/ |
---|
| 599 | Py_TPFLAGS_DEFAULT | Py_TPFLAGS_BASETYPE, /*tp_flags*/ |
---|
| 600 | "CStackedDisksModel objects", /* tp_doc */ |
---|
| 601 | 0, /* tp_traverse */ |
---|
| 602 | 0, /* tp_clear */ |
---|
| 603 | 0, /* tp_richcompare */ |
---|
| 604 | 0, /* tp_weaklistoffset */ |
---|
| 605 | 0, /* tp_iter */ |
---|
| 606 | 0, /* tp_iternext */ |
---|
| 607 | CStackedDisksModel_methods, /* tp_methods */ |
---|
| 608 | CStackedDisksModel_members, /* tp_members */ |
---|
| 609 | 0, /* tp_getset */ |
---|
| 610 | 0, /* tp_base */ |
---|
| 611 | 0, /* tp_dict */ |
---|
| 612 | 0, /* tp_descr_get */ |
---|
| 613 | 0, /* tp_descr_set */ |
---|
| 614 | 0, /* tp_dictoffset */ |
---|
| 615 | (initproc)CStackedDisksModel_init, /* tp_init */ |
---|
| 616 | 0, /* tp_alloc */ |
---|
| 617 | CStackedDisksModel_new, /* tp_new */ |
---|
| 618 | }; |
---|
| 619 | |
---|
| 620 | |
---|
[9bd69098] | 621 | //static PyMethodDef module_methods[] = { |
---|
| 622 | // {NULL} |
---|
| 623 | //}; |
---|
[5068697] | 624 | |
---|
| 625 | /** |
---|
| 626 | * Function used to add the model class to a module |
---|
| 627 | * @param module: module to add the class to |
---|
| 628 | */ |
---|
| 629 | void addCStackedDisksModel(PyObject *module) { |
---|
| 630 | PyObject *d; |
---|
| 631 | |
---|
| 632 | if (PyType_Ready(&CStackedDisksModelType) < 0) |
---|
| 633 | return; |
---|
| 634 | |
---|
| 635 | Py_INCREF(&CStackedDisksModelType); |
---|
| 636 | PyModule_AddObject(module, "CStackedDisksModel", (PyObject *)&CStackedDisksModelType); |
---|
| 637 | |
---|
| 638 | d = PyModule_GetDict(module); |
---|
[2605da22] | 639 | static char error_name[] = "CStackedDisksModel.error"; |
---|
| 640 | CStackedDisksModelError = PyErr_NewException(error_name, NULL, NULL); |
---|
[5068697] | 641 | PyDict_SetItemString(d, "CStackedDisksModelError", CStackedDisksModelError); |
---|
| 642 | } |
---|
[b1c3295] | 643 | |
---|