1 | <!DOCTYPE html PUBLIC "-//W3C//DTD XHTML 1.0 Transitional//EN" |
---|
2 | "http://www.w3.org/TR/xhtml1/DTD/xhtml1-transitional.dtd"> |
---|
3 | |
---|
4 | |
---|
5 | <html xmlns="http://www.w3.org/1999/xhtml"> |
---|
6 | <head> |
---|
7 | <meta http-equiv="Content-Type" content="text/html; charset=utf-8" /> |
---|
8 | |
---|
9 | <title>park.assembly — SasView 3.0.0 documentation</title> |
---|
10 | |
---|
11 | <link rel="stylesheet" href="../../_static/default.css" type="text/css" /> |
---|
12 | <link rel="stylesheet" href="../../_static/pygments.css" type="text/css" /> |
---|
13 | |
---|
14 | <script type="text/javascript"> |
---|
15 | var DOCUMENTATION_OPTIONS = { |
---|
16 | URL_ROOT: '../../', |
---|
17 | VERSION: '3.0.0', |
---|
18 | COLLAPSE_INDEX: false, |
---|
19 | FILE_SUFFIX: '.html', |
---|
20 | HAS_SOURCE: true |
---|
21 | }; |
---|
22 | </script> |
---|
23 | <script type="text/javascript" src="../../_static/jquery.js"></script> |
---|
24 | <script type="text/javascript" src="../../_static/underscore.js"></script> |
---|
25 | <script type="text/javascript" src="../../_static/doctools.js"></script> |
---|
26 | <script type="text/javascript" src="http://cdn.mathjax.org/mathjax/latest/MathJax.js?config=TeX-AMS-MML_HTMLorMML"></script> |
---|
27 | <link rel="top" title="SasView 3.0.0 documentation" href="../../index.html" /> |
---|
28 | <link rel="up" title="Module code" href="../index.html" /> |
---|
29 | </head> |
---|
30 | <body> |
---|
31 | <div class="related"> |
---|
32 | <h3>Navigation</h3> |
---|
33 | <ul> |
---|
34 | <li class="right" style="margin-right: 10px"> |
---|
35 | <a href="../../genindex.html" title="General Index" |
---|
36 | accesskey="I">index</a></li> |
---|
37 | <li class="right" > |
---|
38 | <a href="../../py-modindex.html" title="Python Module Index" |
---|
39 | >modules</a> |</li> |
---|
40 | <li><a href="../../index.html">SasView 3.0.0 documentation</a> »</li> |
---|
41 | <li><a href="../index.html" accesskey="U">Module code</a> »</li> |
---|
42 | </ul> |
---|
43 | </div> |
---|
44 | |
---|
45 | <div class="document"> |
---|
46 | <div class="documentwrapper"> |
---|
47 | <div class="bodywrapper"> |
---|
48 | <div class="body"> |
---|
49 | |
---|
50 | <h1>Source code for park.assembly</h1><div class="highlight"><pre> |
---|
51 | <span class="c"># This program is public domain</span> |
---|
52 | <span class="sd">"""</span> |
---|
53 | <span class="sd">An assembly is a collection of fitting functions. This provides</span> |
---|
54 | <span class="sd">the model representation that is the basis of the park fitting engine.</span> |
---|
55 | |
---|
56 | <span class="sd">Models can range from very simple one dimensional theory functions</span> |
---|
57 | <span class="sd">to complex assemblies of multidimensional datasets from different</span> |
---|
58 | <span class="sd">experimental techniques, each with their own theory function and</span> |
---|
59 | <span class="sd">a common underlying physical model.</span> |
---|
60 | |
---|
61 | <span class="sd">Usage</span> |
---|
62 | <span class="sd">=====</span> |
---|
63 | |
---|
64 | <span class="sd">First define the models you want to work with. In the example</span> |
---|
65 | <span class="sd">below we will use an example of a simple multilayer system measured by</span> |
---|
66 | <span class="sd">specular reflection of xrays and neutrons. The gold depth is the only</span> |
---|
67 | <span class="sd">fitting parameter, ranging from 10-30 A. The interface depths are</span> |
---|
68 | <span class="sd">tied together using expressions. In this case the expression is</span> |
---|
69 | <span class="sd">a simple copy, but any standard math functions can be used. Some</span> |
---|
70 | <span class="sd">model developers may provide additional functions for use with the</span> |
---|
71 | <span class="sd">expression.</span> |
---|
72 | |
---|
73 | <span class="sd">Example models::</span> |
---|
74 | |
---|
75 | <span class="sd"> import reflectometry.model1d as refl</span> |
---|
76 | <span class="sd"> xray = refl.model('xray')</span> |
---|
77 | <span class="sd"> xray.incident('Air',rho=0)</span> |
---|
78 | <span class="sd"> xray.interface('iAu',sigma=5)</span> |
---|
79 | <span class="sd"> xray.layer('Au',rho=124.68,depth=[10,30])</span> |
---|
80 | <span class="sd"> xray.interface('iSi',sigma=5)</span> |
---|
81 | <span class="sd"> xray.substrate('Si',rho=20.07)</span> |
---|
82 | <span class="sd"> datax = refl.data('xray.dat')</span> |
---|
83 | |
---|
84 | <span class="sd"> neutron = refl.model('neutron')</span> |
---|
85 | <span class="sd"> neutron.incident('Air',rho=0)</span> |
---|
86 | <span class="sd"> neutron.interface('iAu',sigma='xray.iAu')</span> |
---|
87 | <span class="sd"> neutron.layer('Au',rho=4.66,depth='xray.Au.depth')</span> |
---|
88 | <span class="sd"> neutron.interface('iSi',sigma='xray.iSi')</span> |
---|
89 | <span class="sd"> neutron.substrate('Si',rho=2.07)</span> |
---|
90 | <span class="sd"> datan = refl.data('neutron.dat')</span> |
---|
91 | |
---|
92 | <span class="sd">As you can see from the above, parameters can be set to a value if</span> |
---|
93 | <span class="sd">the parameter is fixed, to a range if the parametemr is fitted, or</span> |
---|
94 | <span class="sd">to a string expression if the parameter is calculated from other</span> |
---|
95 | <span class="sd">parameters. See park.Parameter.set for further details.</span> |
---|
96 | |
---|
97 | <span class="sd">Having constructed the models, we can now create an assembly::</span> |
---|
98 | |
---|
99 | <span class="sd"> import park</span> |
---|
100 | <span class="sd"> assembly = park.Assembly([(xray,datax), (neutron,datan)])</span> |
---|
101 | |
---|
102 | <span class="sd">Note: this would normally be done in the context of a fit</span> |
---|
103 | <span class="sd">using fit = park.Fit([(xray,datax), (neutron,datan)]), and later referenced</span> |
---|
104 | <span class="sd">using fit.assembly.</span> |
---|
105 | |
---|
106 | <span class="sd">Individual parts of the assembly are accessable using the</span> |
---|
107 | <span class="sd">model number 0, 1, 2... or by the model name. In the above,</span> |
---|
108 | <span class="sd">assembly[0] and assembly['xray'] refer to the same model.</span> |
---|
109 | <span class="sd">Assemblies have insert and append functions for adding new</span> |
---|
110 | <span class="sd">models, and "del model[idx]" for removing them.</span> |
---|
111 | |
---|
112 | <span class="sd">Once the assembly is created computing the values for the system</span> |
---|
113 | <span class="sd">is a matter of calling::</span> |
---|
114 | |
---|
115 | <span class="sd"> assembly.eval()</span> |
---|
116 | <span class="sd"> print "Chi**2",assembly.chisq</span> |
---|
117 | <span class="sd"> print "Reduced chi**2",assembly.chisq/assembly.degrees_of_freedom</span> |
---|
118 | <span class="sd"> plot(arange(len(assembly.residuals)), assembly.residuals)</span> |
---|
119 | |
---|
120 | <span class="sd">This defines the attributes residuals, degrees_of_freedom and chisq,</span> |
---|
121 | <span class="sd">which is what the optimizer uses as the cost function to minimize.</span> |
---|
122 | |
---|
123 | <span class="sd">assembly.eval uses the current values for the parameters in the</span> |
---|
124 | <span class="sd">individual models. These parameters can be changed directly</span> |
---|
125 | <span class="sd">in the model. In the reflectometry example above, you could</span> |
---|
126 | <span class="sd">set the gold thickness using xray.layer.Au.depth=156, or</span> |
---|
127 | <span class="sd">something similar (the details are model specific). Parameters</span> |
---|
128 | <span class="sd">can also be changed through the assembly parameter set. In the same</span> |
---|
129 | <span class="sd">example, this would be assembly.parameterset['xray']['Au']['depth'].</span> |
---|
130 | <span class="sd">See parameter set for details.</span> |
---|
131 | |
---|
132 | <span class="sd">In the process of modeling data, particularly with multiple</span> |
---|
133 | <span class="sd">datasets, you will sometimes want to temporarily ignore</span> |
---|
134 | <span class="sd">how well one of the datasets matches so that you</span> |
---|
135 | <span class="sd">can more quickly refine the model for the other datasets,</span> |
---|
136 | <span class="sd">or see how particular models are influencing the fit. To</span> |
---|
137 | <span class="sd">temporarily ignore the xray data in the example above use::</span> |
---|
138 | |
---|
139 | <span class="sd"> assembly.parts[0].isfitted = False</span> |
---|
140 | |
---|
141 | <span class="sd">The model itself isn't ignored since its parameters may be</span> |
---|
142 | <span class="sd">needed to compute the parameters for other models. To</span> |
---|
143 | <span class="sd">reenable checking against the xray data, you would assign</span> |
---|
144 | <span class="sd">a True value instead. More subtle weighting of the models</span> |
---|
145 | <span class="sd">can be controlled using assembly.parts[idx].weight, but</span> |
---|
146 | <span class="sd">see below for a note on model weighting.</span> |
---|
147 | |
---|
148 | <span class="sd">A note on model weighting</span> |
---|
149 | <span class="sd">-------------------------</span> |
---|
150 | |
---|
151 | <span class="sd">Changing the weight is equivalent to scaling the error bars</span> |
---|
152 | <span class="sd">on the given model by a factor of weight/n where n is the</span> |
---|
153 | <span class="sd">number of data points. It is better to set the correct error</span> |
---|
154 | <span class="sd">bars on your data in the first place than to adjust the weights.</span> |
---|
155 | <span class="sd">If you have the correct error bars, then you should expect</span> |
---|
156 | <span class="sd">roughly 2/3 of the data points to lie within one error bar of</span> |
---|
157 | <span class="sd">the theory curve. If consecutive data points have largely</span> |
---|
158 | <span class="sd">overlapping errorbars, then your uncertainty is overestimated.</span> |
---|
159 | |
---|
160 | <span class="sd">Another case where weights are adjusted (abused?) is to</span> |
---|
161 | <span class="sd">compensate for systematic errors in the data by forcing the</span> |
---|
162 | <span class="sd">errorbars to be large enough to cover the systematic bias.</span> |
---|
163 | <span class="sd">This is a poor approach to the problem. A better strategy</span> |
---|
164 | <span class="sd">is to capture the systematic effects in the model, and treat</span> |
---|
165 | <span class="sd">the measurement of the independent variable as an additional</span> |
---|
166 | <span class="sd">data point in the fit. This is still not statistically sound</span> |
---|
167 | <span class="sd">as there is likely to be a large correlation between the</span> |
---|
168 | <span class="sd">uncertainty of the measurement and the values of all the</span> |
---|
169 | <span class="sd">other variables.</span> |
---|
170 | |
---|
171 | <span class="sd">That said, adjusting the weight on a dataset is a quick way</span> |
---|
172 | <span class="sd">of reducing its influence on the entire fit. Please use it</span> |
---|
173 | <span class="sd">with care.</span> |
---|
174 | <span class="sd">"""</span> |
---|
175 | |
---|
176 | <span class="n">__all__</span> <span class="o">=</span> <span class="p">[</span><span class="s">'Assembly'</span><span class="p">,</span> <span class="s">'Fitness'</span><span class="p">]</span> |
---|
177 | <span class="kn">import</span> <span class="nn">numpy</span> |
---|
178 | |
---|
179 | <span class="kn">import</span> <span class="nn">park</span> |
---|
180 | <span class="kn">from</span> <span class="nn">park.parameter</span> <span class="kn">import</span> <span class="n">Parameter</span><span class="p">,</span><span class="n">ParameterSet</span> |
---|
181 | <span class="kn">from</span> <span class="nn">park.fitresult</span> <span class="kn">import</span> <span class="n">FitParameter</span> |
---|
182 | <span class="kn">import</span> <span class="nn">park.expression</span> |
---|
183 | |
---|
184 | |
---|
185 | |
---|
186 | <div class="viewcode-block" id="Fitness"><a class="viewcode-back" href="../../dev/api/park.html#park.assembly.Fitness">[docs]</a><span class="k">class</span> <span class="nc">Fitness</span><span class="p">(</span><span class="nb">object</span><span class="p">):</span> |
---|
187 | <span class="sd">"""</span> |
---|
188 | <span class="sd"> Container for theory and data.</span> |
---|
189 | |
---|
190 | <span class="sd"> The fit object compares theory with data.</span> |
---|
191 | |
---|
192 | <span class="sd"> TODO: what to do with fittable metadata (e.g., footprint correction)?</span> |
---|
193 | <span class="sd"> """</span> |
---|
194 | <span class="n">data</span> <span class="o">=</span> <span class="bp">None</span> |
---|
195 | <span class="n">model</span> <span class="o">=</span> <span class="bp">None</span> |
---|
196 | <span class="k">def</span> <span class="nf">__init__</span><span class="p">(</span><span class="bp">self</span><span class="p">,</span> <span class="n">model</span><span class="o">=</span><span class="bp">None</span><span class="p">,</span><span class="n">data</span><span class="o">=</span><span class="bp">None</span><span class="p">):</span> |
---|
197 | <span class="bp">self</span><span class="o">.</span><span class="n">data</span><span class="p">,</span><span class="bp">self</span><span class="o">.</span><span class="n">model</span> <span class="o">=</span> <span class="n">data</span><span class="p">,</span><span class="n">model</span> |
---|
198 | <span class="k">def</span> <span class="nf">_parameterset</span><span class="p">(</span><span class="bp">self</span><span class="p">):</span> |
---|
199 | <span class="k">return</span> <span class="bp">self</span><span class="o">.</span><span class="n">model</span><span class="o">.</span><span class="n">parameterset</span> |
---|
200 | <span class="n">parameterset</span> <span class="o">=</span> <span class="nb">property</span><span class="p">(</span><span class="n">_parameterset</span><span class="p">)</span> |
---|
201 | <div class="viewcode-block" id="Fitness.residuals"><a class="viewcode-back" href="../../dev/api/park.html#park.assembly.Fitness.residuals">[docs]</a> <span class="k">def</span> <span class="nf">residuals</span><span class="p">(</span><span class="bp">self</span><span class="p">):</span> |
---|
202 | <span class="k">return</span> <span class="bp">self</span><span class="o">.</span><span class="n">data</span><span class="o">.</span><span class="n">residuals</span><span class="p">(</span><span class="bp">self</span><span class="o">.</span><span class="n">model</span><span class="o">.</span><span class="n">eval</span><span class="p">)</span></div> |
---|
203 | <div class="viewcode-block" id="Fitness.residuals_deriv"><a class="viewcode-back" href="../../dev/api/park.html#park.assembly.Fitness.residuals_deriv">[docs]</a> <span class="k">def</span> <span class="nf">residuals_deriv</span><span class="p">(</span><span class="bp">self</span><span class="p">,</span> <span class="n">pars</span><span class="o">=</span><span class="p">[]):</span> |
---|
204 | <span class="k">return</span> <span class="bp">self</span><span class="o">.</span><span class="n">data</span><span class="o">.</span><span class="n">residuals_deriv</span><span class="p">(</span><span class="bp">self</span><span class="o">.</span><span class="n">model</span><span class="o">.</span><span class="n">eval_derivs</span><span class="p">,</span><span class="n">pars</span><span class="o">=</span><span class="n">pars</span><span class="p">)</span></div> |
---|
205 | <div class="viewcode-block" id="Fitness.set"><a class="viewcode-back" href="../../dev/api/park.html#park.assembly.Fitness.set">[docs]</a> <span class="k">def</span> <span class="nf">set</span><span class="p">(</span><span class="bp">self</span><span class="p">,</span> <span class="o">**</span><span class="n">kw</span><span class="p">):</span> |
---|
206 | <span class="sd">"""</span> |
---|
207 | <span class="sd"> Set parameters in the model.</span> |
---|
208 | |
---|
209 | <span class="sd"> User convenience function. This allows a user with an assembly</span> |
---|
210 | <span class="sd"> of models in a script to for example set the fit range for</span> |
---|
211 | <span class="sd"> parameter 'a' of the model::</span> |
---|
212 | |
---|
213 | <span class="sd"> assembly[0].set(a=[5,6])</span> |
---|
214 | |
---|
215 | <span class="sd"> Raises KeyError if the parameter is not in parameterset.</span> |
---|
216 | <span class="sd"> """</span> |
---|
217 | <span class="bp">self</span><span class="o">.</span><span class="n">model</span><span class="o">.</span><span class="n">set</span><span class="p">(</span><span class="o">**</span><span class="n">kw</span><span class="p">)</span></div> |
---|
218 | <div class="viewcode-block" id="Fitness.abort"><a class="viewcode-back" href="../../dev/api/park.html#park.assembly.Fitness.abort">[docs]</a> <span class="k">def</span> <span class="nf">abort</span><span class="p">(</span><span class="bp">self</span><span class="p">):</span> |
---|
219 | <span class="k">if</span> <span class="nb">hasattr</span><span class="p">(</span><span class="bp">self</span><span class="o">.</span><span class="n">model</span><span class="p">,</span><span class="s">'abort'</span><span class="p">):</span> <span class="bp">self</span><span class="o">.</span><span class="n">model</span><span class="o">.</span><span class="n">abort</span><span class="p">()</span> |
---|
220 | </div></div> |
---|
221 | <span class="k">class</span> <span class="nc">Part</span><span class="p">(</span><span class="nb">object</span><span class="p">):</span> |
---|
222 | <span class="sd">"""</span> |
---|
223 | <span class="sd"> Part of a fitting assembly. Part holds the model itself and</span> |
---|
224 | <span class="sd"> associated data. The part can be initialized with a fitness</span> |
---|
225 | <span class="sd"> object or with a pair (model,data) for the default fitness function.</span> |
---|
226 | |
---|
227 | <span class="sd"> fitness (Fitness)</span> |
---|
228 | <span class="sd"> object implementing the `park.assembly.Fitness` interface. In</span> |
---|
229 | <span class="sd"> particular, fitness should provide a parameterset attribute</span> |
---|
230 | <span class="sd"> containing a ParameterSet and a residuals method returning a vector</span> |
---|
231 | <span class="sd"> of residuals.</span> |
---|
232 | <span class="sd"> weight (dimensionless)</span> |
---|
233 | <span class="sd"> weight for the model. See comments in assembly.py for details.</span> |
---|
234 | <span class="sd"> isfitted (boolean)</span> |
---|
235 | <span class="sd"> True if the model residuals should be included in the fit.</span> |
---|
236 | <span class="sd"> The model parameters may still be used in parameter</span> |
---|
237 | <span class="sd"> expressions, but there will be no comparison to the data.</span> |
---|
238 | <span class="sd"> residuals (vector)</span> |
---|
239 | <span class="sd"> Residuals for the model if they have been calculated, or None</span> |
---|
240 | <span class="sd"> degrees_of_freedom</span> |
---|
241 | <span class="sd"> Number of residuals minus number of fitted parameters.</span> |
---|
242 | <span class="sd"> Degrees of freedom for individual models does not make</span> |
---|
243 | <span class="sd"> sense in the presence of expressions combining models,</span> |
---|
244 | <span class="sd"> particularly in the case where a model has many parameters</span> |
---|
245 | <span class="sd"> but no data or many computed parameters. The degrees of</span> |
---|
246 | <span class="sd"> freedom for the model is set to be at least one.</span> |
---|
247 | <span class="sd"> chisq</span> |
---|
248 | <span class="sd"> sum(residuals**2); use chisq/degrees_of_freedom to</span> |
---|
249 | <span class="sd"> get the reduced chisq value.</span> |
---|
250 | |
---|
251 | <span class="sd"> Get/set the weight on the given model.</span> |
---|
252 | |
---|
253 | <span class="sd"> assembly.weight(3) returns the weight on model 3 (0-origin)</span> |
---|
254 | <span class="sd"> assembly.weight(3,0.5) sets the weight on model 3 (0-origin)</span> |
---|
255 | <span class="sd"> """</span> |
---|
256 | |
---|
257 | <span class="k">def</span> <span class="nf">__init__</span><span class="p">(</span><span class="bp">self</span><span class="p">,</span> <span class="n">fitness</span><span class="p">,</span> <span class="n">weight</span><span class="o">=</span><span class="mf">1.</span><span class="p">,</span> <span class="n">isfitted</span><span class="o">=</span><span class="bp">True</span><span class="p">):</span> |
---|
258 | <span class="k">if</span> <span class="nb">isinstance</span><span class="p">(</span><span class="n">fitness</span><span class="p">,</span> <span class="nb">tuple</span><span class="p">):</span> |
---|
259 | <span class="n">fitness</span> <span class="o">=</span> <span class="n">park</span><span class="o">.</span><span class="n">Fitness</span><span class="p">(</span><span class="o">*</span><span class="n">fitness</span><span class="p">)</span> |
---|
260 | <span class="bp">self</span><span class="o">.</span><span class="n">fitness</span> <span class="o">=</span> <span class="n">fitness</span> |
---|
261 | <span class="bp">self</span><span class="o">.</span><span class="n">weight</span> <span class="o">=</span> <span class="n">weight</span> |
---|
262 | <span class="bp">self</span><span class="o">.</span><span class="n">isfitted</span> <span class="o">=</span> <span class="n">isfitted</span> |
---|
263 | <span class="bp">self</span><span class="o">.</span><span class="n">residuals</span> <span class="o">=</span> <span class="bp">None</span> |
---|
264 | <span class="bp">self</span><span class="o">.</span><span class="n">chisq</span> <span class="o">=</span> <span class="n">numpy</span><span class="o">.</span><span class="n">Inf</span> |
---|
265 | <span class="bp">self</span><span class="o">.</span><span class="n">degrees_of_freedom</span> <span class="o">=</span> <span class="mi">1</span> |
---|
266 | |
---|
267 | |
---|
268 | <div class="viewcode-block" id="Assembly"><a class="viewcode-back" href="../../dev/api/park.html#park.assembly.Assembly">[docs]</a><span class="k">class</span> <span class="nc">Assembly</span><span class="p">(</span><span class="nb">object</span><span class="p">):</span> |
---|
269 | <span class="sd">"""</span> |
---|
270 | <span class="sd"> Collection of fit models.</span> |
---|
271 | |
---|
272 | <span class="sd"> Assembly implements the `park.fit.Objective` interface.</span> |
---|
273 | |
---|
274 | <span class="sd"> See `park.assembly` for usage.</span> |
---|
275 | |
---|
276 | <span class="sd"> Instance variables:</span> |
---|
277 | |
---|
278 | <span class="sd"> residuals : array</span> |
---|
279 | <span class="sd"> a vector of residuals spanning all models, with model</span> |
---|
280 | <span class="sd"> weights applied as appropriate.</span> |
---|
281 | <span class="sd"> degrees_of_freedom : integer</span> |
---|
282 | <span class="sd"> length of the residuals - number of fitted parameters</span> |
---|
283 | <span class="sd"> chisq : float</span> |
---|
284 | <span class="sd"> sum squared residuals; this is not the reduced chisq, which</span> |
---|
285 | <span class="sd"> you can get using chisq/degrees_of_freedom</span> |
---|
286 | |
---|
287 | <span class="sd"> These fields are defined for the individual models as well, with</span> |
---|
288 | <span class="sd"> degrees of freedom adjusted to the length of the individual data</span> |
---|
289 | <span class="sd"> set. If the model is not fitted or the weight is zero, the residual</span> |
---|
290 | <span class="sd"> will not be calculated.</span> |
---|
291 | |
---|
292 | <span class="sd"> The residuals fields are available only after the model has been</span> |
---|
293 | <span class="sd"> evaluated.</span> |
---|
294 | <span class="sd"> """</span> |
---|
295 | |
---|
296 | <span class="k">def</span> <span class="nf">__init__</span><span class="p">(</span><span class="bp">self</span><span class="p">,</span> <span class="n">models</span><span class="o">=</span><span class="p">[]):</span> |
---|
297 | <span class="sd">"""Build an assembly from a list of models."""</span> |
---|
298 | <span class="bp">self</span><span class="o">.</span><span class="n">parts</span> <span class="o">=</span> <span class="p">[]</span> |
---|
299 | <span class="k">for</span> <span class="n">m</span> <span class="ow">in</span> <span class="n">models</span><span class="p">:</span> |
---|
300 | <span class="bp">self</span><span class="o">.</span><span class="n">parts</span><span class="o">.</span><span class="n">append</span><span class="p">(</span><span class="n">Part</span><span class="p">(</span><span class="n">m</span><span class="p">))</span> |
---|
301 | <span class="bp">self</span><span class="o">.</span><span class="n">_reset</span><span class="p">()</span> |
---|
302 | |
---|
303 | <span class="k">def</span> <span class="nf">__iter__</span><span class="p">(</span><span class="bp">self</span><span class="p">):</span> |
---|
304 | <span class="sd">"""Iterate through the models in order"""</span> |
---|
305 | <span class="k">for</span> <span class="n">m</span> <span class="ow">in</span> <span class="bp">self</span><span class="o">.</span><span class="n">parts</span><span class="p">:</span> <span class="k">yield</span> <span class="n">m</span> |
---|
306 | |
---|
307 | <span class="k">def</span> <span class="nf">__getitem__</span><span class="p">(</span><span class="bp">self</span><span class="p">,</span> <span class="n">n</span><span class="p">):</span> |
---|
308 | <span class="sd">"""Return the nth model"""</span> |
---|
309 | <span class="k">return</span> <span class="bp">self</span><span class="o">.</span><span class="n">parts</span><span class="p">[</span><span class="n">n</span><span class="p">]</span><span class="o">.</span><span class="n">fitness</span> |
---|
310 | |
---|
311 | <span class="k">def</span> <span class="nf">__setitem__</span><span class="p">(</span><span class="bp">self</span><span class="p">,</span> <span class="n">n</span><span class="p">,</span> <span class="n">fitness</span><span class="p">):</span> |
---|
312 | <span class="sd">"""Replace the nth model"""</span> |
---|
313 | <span class="bp">self</span><span class="o">.</span><span class="n">parts</span><span class="p">[</span><span class="n">n</span><span class="p">]</span><span class="o">.</span><span class="n">fitness</span> <span class="o">=</span> <span class="n">fitness</span> |
---|
314 | <span class="bp">self</span><span class="o">.</span><span class="n">_reset</span><span class="p">()</span> |
---|
315 | |
---|
316 | <span class="k">def</span> <span class="nf">__delitem__</span><span class="p">(</span><span class="bp">self</span><span class="p">,</span> <span class="n">n</span><span class="p">):</span> |
---|
317 | <span class="sd">"""Delete the nth model"""</span> |
---|
318 | <span class="k">del</span> <span class="bp">self</span><span class="o">.</span><span class="n">parts</span><span class="p">[</span><span class="n">n</span><span class="p">]</span> |
---|
319 | <span class="bp">self</span><span class="o">.</span><span class="n">_reset</span><span class="p">()</span> |
---|
320 | |
---|
321 | <div class="viewcode-block" id="Assembly.weight"><a class="viewcode-back" href="../../dev/api/park.html#park.assembly.Assembly.weight">[docs]</a> <span class="k">def</span> <span class="nf">weight</span><span class="p">(</span><span class="bp">self</span><span class="p">,</span> <span class="n">idx</span><span class="p">,</span> <span class="n">value</span><span class="o">=</span><span class="bp">None</span><span class="p">):</span> |
---|
322 | <span class="sd">"""</span> |
---|
323 | <span class="sd"> Query the weight on a particular model.</span> |
---|
324 | |
---|
325 | <span class="sd"> Set weight to value if value is supplied.</span> |
---|
326 | |
---|
327 | <span class="sd"> :Parameters:</span> |
---|
328 | <span class="sd"> idx : integer</span> |
---|
329 | <span class="sd"> model number</span> |
---|
330 | <span class="sd"> value : float</span> |
---|
331 | <span class="sd"> model weight</span> |
---|
332 | <span class="sd"> :return: model weight</span> |
---|
333 | <span class="sd"> """</span> |
---|
334 | <span class="k">if</span> <span class="n">value</span> <span class="ow">is</span> <span class="ow">not</span> <span class="bp">None</span><span class="p">:</span> |
---|
335 | <span class="bp">self</span><span class="o">.</span><span class="n">parts</span><span class="p">[</span><span class="n">idx</span><span class="p">]</span><span class="o">.</span><span class="n">weight</span> <span class="o">=</span> <span class="n">value</span> |
---|
336 | <span class="k">return</span> <span class="bp">self</span><span class="o">.</span><span class="n">parts</span><span class="p">[</span><span class="n">idx</span><span class="p">]</span><span class="o">.</span><span class="n">weight</span> |
---|
337 | </div> |
---|
338 | <div class="viewcode-block" id="Assembly.isfitted"><a class="viewcode-back" href="../../dev/api/park.html#park.assembly.Assembly.isfitted">[docs]</a> <span class="k">def</span> <span class="nf">isfitted</span><span class="p">(</span><span class="bp">self</span><span class="p">,</span> <span class="n">idx</span><span class="p">,</span> <span class="n">value</span><span class="o">=</span><span class="bp">None</span><span class="p">):</span> |
---|
339 | <span class="sd">"""</span> |
---|
340 | <span class="sd"> Query if a particular model is fitted.</span> |
---|
341 | |
---|
342 | <span class="sd"> Set isfitted to value if value is supplied.</span> |
---|
343 | |
---|
344 | <span class="sd"> :param idx: model number</span> |
---|
345 | <span class="sd"> :type idx: integer</span> |
---|
346 | <span class="sd"> :param value:</span> |
---|
347 | <span class="sd"> """</span> |
---|
348 | <span class="k">if</span> <span class="n">value</span> <span class="ow">is</span> <span class="ow">not</span> <span class="bp">None</span><span class="p">:</span> |
---|
349 | <span class="bp">self</span><span class="o">.</span><span class="n">parts</span><span class="p">[</span><span class="n">idx</span><span class="p">]</span><span class="o">.</span><span class="n">isfitted</span> <span class="o">=</span> <span class="n">value</span> |
---|
350 | <span class="k">return</span> <span class="bp">self</span><span class="o">.</span><span class="n">parts</span><span class="p">[</span><span class="n">idx</span><span class="p">]</span><span class="o">.</span><span class="n">isfitted</span> |
---|
351 | </div> |
---|
352 | <div class="viewcode-block" id="Assembly.append"><a class="viewcode-back" href="../../dev/api/park.html#park.assembly.Assembly.append">[docs]</a> <span class="k">def</span> <span class="nf">append</span><span class="p">(</span><span class="bp">self</span><span class="p">,</span> <span class="n">fitness</span><span class="p">,</span> <span class="n">weight</span><span class="o">=</span><span class="mf">1.0</span><span class="p">,</span> <span class="n">isfitted</span><span class="o">=</span><span class="bp">True</span><span class="p">):</span> |
---|
353 | <span class="sd">"""</span> |
---|
354 | <span class="sd"> Add a model to the end of set.</span> |
---|
355 | |
---|
356 | <span class="sd"> :param fitness: the fitting model</span> |
---|
357 | <span class="sd"> The fitting model can be an instance of `park.assembly.Fitness`,</span> |
---|
358 | <span class="sd"> or a tuple of (`park.model.Model`,`park.data.Data1D`)</span> |
---|
359 | <span class="sd"> :param weight: model weighting (usually 1.0)</span> |
---|
360 | <span class="sd"> :param isfitted: whether model should be fit (equivalent to weight 0.)</span> |
---|
361 | <span class="sd"> """</span> |
---|
362 | <span class="bp">self</span><span class="o">.</span><span class="n">parts</span><span class="o">.</span><span class="n">append</span><span class="p">(</span><span class="n">Part</span><span class="p">(</span><span class="n">fitness</span><span class="p">,</span><span class="n">weight</span><span class="p">,</span><span class="n">isfitted</span><span class="p">))</span> |
---|
363 | <span class="bp">self</span><span class="o">.</span><span class="n">_reset</span><span class="p">()</span> |
---|
364 | </div> |
---|
365 | <div class="viewcode-block" id="Assembly.insert"><a class="viewcode-back" href="../../dev/api/park.html#park.assembly.Assembly.insert">[docs]</a> <span class="k">def</span> <span class="nf">insert</span><span class="p">(</span><span class="bp">self</span><span class="p">,</span> <span class="n">idx</span><span class="p">,</span> <span class="n">fitness</span><span class="p">,</span> <span class="n">weight</span><span class="o">=</span><span class="mf">1.0</span><span class="p">,</span> <span class="n">isfitted</span><span class="o">=</span><span class="bp">True</span><span class="p">):</span> |
---|
366 | <span class="sd">"""Add a model to a particular position in the set."""</span> |
---|
367 | <span class="bp">self</span><span class="o">.</span><span class="n">parts</span><span class="o">.</span><span class="n">insert</span><span class="p">(</span><span class="n">idx</span><span class="p">,</span><span class="n">Part</span><span class="p">(</span><span class="n">fitness</span><span class="p">,</span><span class="n">weight</span><span class="p">,</span><span class="n">isfitted</span><span class="p">))</span> |
---|
368 | <span class="bp">self</span><span class="o">.</span><span class="n">_reset</span><span class="p">()</span> |
---|
369 | </div> |
---|
370 | <span class="k">def</span> <span class="nf">_reset</span><span class="p">(</span><span class="bp">self</span><span class="p">):</span> |
---|
371 | <span class="sd">"""Adjust the parameter set after the addition of a new model."""</span> |
---|
372 | <span class="n">subsets</span> <span class="o">=</span> <span class="p">[</span><span class="n">m</span><span class="o">.</span><span class="n">fitness</span><span class="o">.</span><span class="n">parameterset</span> <span class="k">for</span> <span class="n">m</span> <span class="ow">in</span> <span class="bp">self</span><span class="p">]</span> |
---|
373 | <span class="bp">self</span><span class="o">.</span><span class="n">parameterset</span> <span class="o">=</span> <span class="n">ParameterSet</span><span class="p">(</span><span class="s">'root'</span><span class="p">,</span><span class="n">subsets</span><span class="p">)</span> |
---|
374 | <span class="bp">self</span><span class="o">.</span><span class="n">parameterset</span><span class="o">.</span><span class="n">setprefix</span><span class="p">()</span> |
---|
375 | <span class="c">#print [p.path for p in self.parameterset.flatten()]</span> |
---|
376 | |
---|
377 | <div class="viewcode-block" id="Assembly.eval"><a class="viewcode-back" href="../../dev/api/park.html#park.assembly.Assembly.eval">[docs]</a> <span class="k">def</span> <span class="nf">eval</span><span class="p">(</span><span class="bp">self</span><span class="p">):</span> |
---|
378 | <span class="sd">"""</span> |
---|
379 | <span class="sd"> Recalculate the theory functions, and from them, the</span> |
---|
380 | <span class="sd"> residuals and chisq.</span> |
---|
381 | |
---|
382 | <span class="sd"> :note: Call this after the parameters have been updated.</span> |
---|
383 | <span class="sd"> """</span> |
---|
384 | <span class="c"># Handle abort from a separate thread.</span> |
---|
385 | <span class="bp">self</span><span class="o">.</span><span class="n">_cancel</span> <span class="o">=</span> <span class="bp">False</span> |
---|
386 | |
---|
387 | <span class="c"># Evaluate the computed parameters</span> |
---|
388 | <span class="bp">self</span><span class="o">.</span><span class="n">_fitexpression</span><span class="p">()</span> |
---|
389 | |
---|
390 | <span class="c"># Check that the resulting parameters are in a feasible region.</span> |
---|
391 | <span class="k">if</span> <span class="ow">not</span> <span class="bp">self</span><span class="o">.</span><span class="n">isfeasible</span><span class="p">():</span> <span class="k">return</span> <span class="n">numpy</span><span class="o">.</span><span class="n">inf</span> |
---|
392 | |
---|
393 | <span class="n">resid</span> <span class="o">=</span> <span class="p">[]</span> |
---|
394 | <span class="n">k</span> <span class="o">=</span> <span class="nb">len</span><span class="p">(</span><span class="bp">self</span><span class="o">.</span><span class="n">_fitparameters</span><span class="p">)</span> |
---|
395 | <span class="k">for</span> <span class="n">m</span> <span class="ow">in</span> <span class="bp">self</span><span class="o">.</span><span class="n">parts</span><span class="p">:</span> |
---|
396 | <span class="c"># In order to support abort, need to be able to propagate an</span> |
---|
397 | <span class="c"># external abort signal from self.abort() into an abort signal</span> |
---|
398 | <span class="c"># for the particular model. Can't see a way to do this which</span> |
---|
399 | <span class="c"># doesn't involve setting a state variable.</span> |
---|
400 | <span class="bp">self</span><span class="o">.</span><span class="n">_current_model</span> <span class="o">=</span> <span class="n">m</span> |
---|
401 | <span class="k">if</span> <span class="bp">self</span><span class="o">.</span><span class="n">_cancel</span><span class="p">:</span> <span class="k">return</span> <span class="n">numpy</span><span class="o">.</span><span class="n">inf</span> |
---|
402 | <span class="k">if</span> <span class="n">m</span><span class="o">.</span><span class="n">isfitted</span> <span class="ow">and</span> <span class="n">m</span><span class="o">.</span><span class="n">weight</span> <span class="o">!=</span> <span class="mi">0</span><span class="p">:</span> |
---|
403 | <span class="n">m</span><span class="o">.</span><span class="n">residuals</span> <span class="o">=</span> <span class="n">m</span><span class="o">.</span><span class="n">fitness</span><span class="o">.</span><span class="n">residuals</span><span class="p">()</span> |
---|
404 | <span class="n">N</span> <span class="o">=</span> <span class="nb">len</span><span class="p">(</span><span class="n">m</span><span class="o">.</span><span class="n">residuals</span><span class="p">)</span> |
---|
405 | <span class="n">m</span><span class="o">.</span><span class="n">degrees_of_freedom</span> <span class="o">=</span> <span class="n">N</span><span class="o">-</span><span class="n">k</span> <span class="k">if</span> <span class="n">N</span><span class="o">></span><span class="n">k</span> <span class="k">else</span> <span class="mi">1</span> |
---|
406 | <span class="n">m</span><span class="o">.</span><span class="n">chisq</span> <span class="o">=</span> <span class="n">numpy</span><span class="o">.</span><span class="n">sum</span><span class="p">(</span><span class="n">m</span><span class="o">.</span><span class="n">residuals</span><span class="o">**</span><span class="mi">2</span><span class="p">)</span> |
---|
407 | <span class="n">resid</span><span class="o">.</span><span class="n">append</span><span class="p">(</span><span class="n">m</span><span class="o">.</span><span class="n">weight</span><span class="o">*</span><span class="n">m</span><span class="o">.</span><span class="n">residuals</span><span class="p">)</span> |
---|
408 | <span class="bp">self</span><span class="o">.</span><span class="n">residuals</span> <span class="o">=</span> <span class="n">numpy</span><span class="o">.</span><span class="n">hstack</span><span class="p">(</span><span class="n">resid</span><span class="p">)</span> |
---|
409 | <span class="n">N</span> <span class="o">=</span> <span class="nb">len</span><span class="p">(</span><span class="bp">self</span><span class="o">.</span><span class="n">residuals</span><span class="p">)</span> |
---|
410 | <span class="bp">self</span><span class="o">.</span><span class="n">degrees_of_freedom</span> <span class="o">=</span> <span class="n">N</span><span class="o">-</span><span class="n">k</span> <span class="k">if</span> <span class="n">N</span><span class="o">></span><span class="n">k</span> <span class="k">else</span> <span class="mi">1</span> |
---|
411 | <span class="bp">self</span><span class="o">.</span><span class="n">chisq</span> <span class="o">=</span> <span class="n">numpy</span><span class="o">.</span><span class="n">sum</span><span class="p">(</span><span class="bp">self</span><span class="o">.</span><span class="n">residuals</span><span class="o">**</span><span class="mi">2</span><span class="p">)</span> |
---|
412 | <span class="k">return</span> <span class="bp">self</span><span class="o">.</span><span class="n">chisq</span> |
---|
413 | </div> |
---|
414 | <div class="viewcode-block" id="Assembly.jacobian"><a class="viewcode-back" href="../../dev/api/park.html#park.assembly.Assembly.jacobian">[docs]</a> <span class="k">def</span> <span class="nf">jacobian</span><span class="p">(</span><span class="bp">self</span><span class="p">,</span> <span class="n">pvec</span><span class="p">,</span> <span class="n">step</span><span class="o">=</span><span class="mf">1e-8</span><span class="p">):</span> |
---|
415 | <span class="sd">"""</span> |
---|
416 | <span class="sd"> Returns the derivative wrt the fit parameters at point p.</span> |
---|
417 | |
---|
418 | <span class="sd"> Numeric derivatives are calculated based on step, where step is</span> |
---|
419 | <span class="sd"> the portion of the total range for parameter j, or the portion of</span> |
---|
420 | <span class="sd"> point value p_j if the range on parameter j is infinite.</span> |
---|
421 | <span class="sd"> """</span> |
---|
422 | <span class="c"># Make sure the input vector is an array</span> |
---|
423 | <span class="n">pvec</span> <span class="o">=</span> <span class="n">numpy</span><span class="o">.</span><span class="n">asarray</span><span class="p">(</span><span class="n">pvec</span><span class="p">)</span> |
---|
424 | <span class="c"># We are being lazy here. We can precompute the bounds, we can</span> |
---|
425 | <span class="c"># use the residuals_deriv from the sub-models which have analytic</span> |
---|
426 | <span class="c"># derivatives and we need only recompute the models which depend</span> |
---|
427 | <span class="c"># on the varying parameters.</span> |
---|
428 | <span class="c"># Meanwhile, let's compute the numeric derivative using the</span> |
---|
429 | <span class="c"># three point formula.</span> |
---|
430 | <span class="c"># We are not checking that the varied parameter in numeric</span> |
---|
431 | <span class="c"># differentiation is indeed feasible in the interval of interest.</span> |
---|
432 | <span class="nb">range</span> <span class="o">=</span> <span class="nb">zip</span><span class="p">(</span><span class="o">*</span><span class="p">[</span><span class="n">p</span><span class="o">.</span><span class="n">range</span> <span class="k">for</span> <span class="n">p</span> <span class="ow">in</span> <span class="bp">self</span><span class="o">.</span><span class="n">_fitparameters</span><span class="p">])</span> |
---|
433 | <span class="n">lo</span><span class="p">,</span><span class="n">hi</span> <span class="o">=</span> <span class="p">[</span><span class="n">numpy</span><span class="o">.</span><span class="n">asarray</span><span class="p">(</span><span class="n">v</span><span class="p">)</span> <span class="k">for</span> <span class="n">v</span> <span class="ow">in</span> <span class="nb">range</span><span class="p">]</span> |
---|
434 | <span class="n">delta</span> <span class="o">=</span> <span class="p">(</span><span class="n">hi</span><span class="o">-</span><span class="n">lo</span><span class="p">)</span><span class="o">*</span><span class="n">step</span> |
---|
435 | <span class="c"># For infinite ranges, use p*1e-8 for the step size</span> |
---|
436 | <span class="n">idx</span> <span class="o">=</span> <span class="n">numpy</span><span class="o">.</span><span class="n">isinf</span><span class="p">(</span><span class="n">delta</span><span class="p">)</span> |
---|
437 | <span class="c">#print "J",idx,delta,pvec,type(idx),type(delta),type(pvec)</span> |
---|
438 | <span class="n">delta</span><span class="p">[</span><span class="n">idx</span><span class="p">]</span> <span class="o">=</span> <span class="n">pvec</span><span class="p">[</span><span class="n">idx</span><span class="p">]</span><span class="o">*</span><span class="n">step</span> |
---|
439 | <span class="n">delta</span><span class="p">[</span><span class="n">delta</span><span class="o">==</span><span class="mi">0</span><span class="p">]</span> <span class="o">=</span> <span class="n">step</span> |
---|
440 | |
---|
441 | <span class="c"># Set the initial value</span> |
---|
442 | <span class="k">for</span> <span class="n">k</span><span class="p">,</span><span class="n">v</span> <span class="ow">in</span> <span class="nb">enumerate</span><span class="p">(</span><span class="n">pvec</span><span class="p">):</span> |
---|
443 | <span class="bp">self</span><span class="o">.</span><span class="n">_fitparameters</span><span class="p">[</span><span class="n">k</span><span class="p">]</span><span class="o">.</span><span class="n">value</span> <span class="o">=</span> <span class="n">v</span> |
---|
444 | <span class="c"># Gather the residuals</span> |
---|
445 | <span class="n">r</span> <span class="o">=</span> <span class="p">[]</span> |
---|
446 | <span class="k">for</span> <span class="n">k</span><span class="p">,</span><span class="n">v</span> <span class="ow">in</span> <span class="nb">enumerate</span><span class="p">(</span><span class="n">pvec</span><span class="p">):</span> |
---|
447 | <span class="c"># Center point formula:</span> |
---|
448 | <span class="c"># df/dv = lim_{h->0} ( f(v+h)-f(v-h) ) / ( 2h )</span> |
---|
449 | <span class="n">h</span> <span class="o">=</span> <span class="n">delta</span><span class="p">[</span><span class="n">k</span><span class="p">]</span> |
---|
450 | <span class="bp">self</span><span class="o">.</span><span class="n">_fitparameters</span><span class="p">[</span><span class="n">k</span><span class="p">]</span><span class="o">.</span><span class="n">value</span> <span class="o">=</span> <span class="n">v</span> <span class="o">+</span> <span class="n">h</span> |
---|
451 | <span class="bp">self</span><span class="o">.</span><span class="n">eval</span><span class="p">()</span> |
---|
452 | <span class="n">rk</span> <span class="o">=</span> <span class="bp">self</span><span class="o">.</span><span class="n">residuals</span> |
---|
453 | <span class="bp">self</span><span class="o">.</span><span class="n">_fitparameters</span><span class="p">[</span><span class="n">k</span><span class="p">]</span><span class="o">.</span><span class="n">value</span> <span class="o">=</span> <span class="n">v</span> <span class="o">-</span> <span class="n">h</span> |
---|
454 | <span class="bp">self</span><span class="o">.</span><span class="n">eval</span><span class="p">()</span> |
---|
455 | <span class="n">rk</span> <span class="o">-=</span> <span class="bp">self</span><span class="o">.</span><span class="n">residuals</span> |
---|
456 | <span class="bp">self</span><span class="o">.</span><span class="n">_fitparameters</span><span class="p">[</span><span class="n">k</span><span class="p">]</span><span class="o">.</span><span class="n">value</span> <span class="o">=</span> <span class="n">v</span> |
---|
457 | <span class="n">r</span><span class="o">.</span><span class="n">append</span><span class="p">(</span><span class="n">rk</span><span class="o">/</span><span class="p">(</span><span class="mi">2</span><span class="o">*</span><span class="n">h</span><span class="p">))</span> |
---|
458 | <span class="c"># return the jacobian</span> |
---|
459 | <span class="k">return</span> <span class="n">numpy</span><span class="o">.</span><span class="n">vstack</span><span class="p">(</span><span class="n">r</span><span class="p">)</span><span class="o">.</span><span class="n">T</span> |
---|
460 | |
---|
461 | </div> |
---|
462 | <div class="viewcode-block" id="Assembly.cov"><a class="viewcode-back" href="../../dev/api/park.html#park.assembly.Assembly.cov">[docs]</a> <span class="k">def</span> <span class="nf">cov</span><span class="p">(</span><span class="bp">self</span><span class="p">,</span> <span class="n">pvec</span><span class="p">):</span> |
---|
463 | <span class="sd">"""</span> |
---|
464 | <span class="sd"> Return the covariance matrix inv(J'J) at point p.</span> |
---|
465 | <span class="sd"> """</span> |
---|
466 | |
---|
467 | <span class="c"># Find cov of f at p</span> |
---|
468 | <span class="c"># cov(f,p) = inv(J'J)</span> |
---|
469 | <span class="c"># Use SVD</span> |
---|
470 | <span class="c"># J = U S V'</span> |
---|
471 | <span class="c"># J'J = (U S V')' (U S V')</span> |
---|
472 | <span class="c"># = V S' U' U S V'</span> |
---|
473 | <span class="c"># = V S S V'</span> |
---|
474 | <span class="c"># inv(J'J) = inv(V S S V')</span> |
---|
475 | <span class="c"># = inv(V') inv(S S) inv(V)</span> |
---|
476 | <span class="c"># = V inv (S S) V'</span> |
---|
477 | <span class="n">J</span> <span class="o">=</span> <span class="bp">self</span><span class="o">.</span><span class="n">jacobian</span><span class="p">(</span><span class="n">pvec</span><span class="p">)</span> |
---|
478 | <span class="n">u</span><span class="p">,</span><span class="n">s</span><span class="p">,</span><span class="n">vh</span> <span class="o">=</span> <span class="n">numpy</span><span class="o">.</span><span class="n">linalg</span><span class="o">.</span><span class="n">svd</span><span class="p">(</span><span class="n">J</span><span class="p">,</span><span class="mi">0</span><span class="p">)</span> |
---|
479 | <span class="n">JTJinv</span> <span class="o">=</span> <span class="n">numpy</span><span class="o">.</span><span class="n">dot</span><span class="p">(</span><span class="n">vh</span><span class="o">.</span><span class="n">T</span><span class="o">.</span><span class="n">conj</span><span class="p">()</span><span class="o">/</span><span class="n">s</span><span class="o">**</span><span class="mi">2</span><span class="p">,</span><span class="n">vh</span><span class="p">)</span> |
---|
480 | <span class="k">return</span> <span class="n">JTJinv</span> |
---|
481 | </div> |
---|
482 | <div class="viewcode-block" id="Assembly.stderr"><a class="viewcode-back" href="../../dev/api/park.html#park.assembly.Assembly.stderr">[docs]</a> <span class="k">def</span> <span class="nf">stderr</span><span class="p">(</span><span class="bp">self</span><span class="p">,</span> <span class="n">pvec</span><span class="p">):</span> |
---|
483 | <span class="sd">"""</span> |
---|
484 | <span class="sd"> Return parameter uncertainty.</span> |
---|
485 | |
---|
486 | <span class="sd"> This is just the sqrt diagonal of covariance matrix inv(J'J) at point p.</span> |
---|
487 | <span class="sd"> """</span> |
---|
488 | <span class="k">return</span> <span class="n">numpy</span><span class="o">.</span><span class="n">sqrt</span><span class="p">(</span><span class="n">numpy</span><span class="o">.</span><span class="n">diag</span><span class="p">(</span><span class="bp">self</span><span class="o">.</span><span class="n">cov</span><span class="p">(</span><span class="n">pvec</span><span class="p">)))</span> |
---|
489 | </div> |
---|
490 | <div class="viewcode-block" id="Assembly.isfeasible"><a class="viewcode-back" href="../../dev/api/park.html#park.assembly.Assembly.isfeasible">[docs]</a> <span class="k">def</span> <span class="nf">isfeasible</span><span class="p">(</span><span class="bp">self</span><span class="p">):</span> |
---|
491 | <span class="sd">"""</span> |
---|
492 | <span class="sd"> Returns true if the parameter set is in a feasible region of the</span> |
---|
493 | <span class="sd"> modeling space.</span> |
---|
494 | <span class="sd"> """</span> |
---|
495 | <span class="k">return</span> <span class="bp">True</span> |
---|
496 | |
---|
497 | <span class="c"># Fitting service interface</span></div> |
---|
498 | <div class="viewcode-block" id="Assembly.fit_parameters"><a class="viewcode-back" href="../../dev/api/park.html#park.assembly.Assembly.fit_parameters">[docs]</a> <span class="k">def</span> <span class="nf">fit_parameters</span><span class="p">(</span><span class="bp">self</span><span class="p">):</span> |
---|
499 | <span class="sd">"""</span> |
---|
500 | <span class="sd"> Return an alphabetical list of the fitting parameters.</span> |
---|
501 | |
---|
502 | <span class="sd"> This function is called once at the beginning of a fit,</span> |
---|
503 | <span class="sd"> and serves as a convenient place to precalculate what</span> |
---|
504 | <span class="sd"> can be precalculated such as the set of fitting parameters</span> |
---|
505 | <span class="sd"> and the parameter expressions evaluator.</span> |
---|
506 | <span class="sd"> """</span> |
---|
507 | <span class="bp">self</span><span class="o">.</span><span class="n">parameterset</span><span class="o">.</span><span class="n">setprefix</span><span class="p">()</span> |
---|
508 | <span class="bp">self</span><span class="o">.</span><span class="n">_fitparameters</span> <span class="o">=</span> <span class="bp">self</span><span class="o">.</span><span class="n">parameterset</span><span class="o">.</span><span class="n">fitted</span> |
---|
509 | <span class="bp">self</span><span class="o">.</span><span class="n">_restraints</span> <span class="o">=</span> <span class="bp">self</span><span class="o">.</span><span class="n">parameterset</span><span class="o">.</span><span class="n">restrained</span> |
---|
510 | <span class="n">pars</span> <span class="o">=</span> <span class="bp">self</span><span class="o">.</span><span class="n">parameterset</span><span class="o">.</span><span class="n">flatten</span><span class="p">()</span> |
---|
511 | <span class="n">context</span> <span class="o">=</span> <span class="bp">self</span><span class="o">.</span><span class="n">parameterset</span><span class="o">.</span><span class="n">gather_context</span><span class="p">()</span> |
---|
512 | <span class="bp">self</span><span class="o">.</span><span class="n">_fitexpression</span> <span class="o">=</span> <span class="n">park</span><span class="o">.</span><span class="n">expression</span><span class="o">.</span><span class="n">build_eval</span><span class="p">(</span><span class="n">pars</span><span class="p">,</span><span class="n">context</span><span class="p">)</span> |
---|
513 | <span class="c">#print "constraints",self._fitexpression.__doc__</span> |
---|
514 | |
---|
515 | <span class="bp">self</span><span class="o">.</span><span class="n">_fitparameters</span><span class="o">.</span><span class="n">sort</span><span class="p">(</span><span class="k">lambda</span> <span class="n">a</span><span class="p">,</span><span class="n">b</span><span class="p">:</span> <span class="nb">cmp</span><span class="p">(</span><span class="n">a</span><span class="o">.</span><span class="n">path</span><span class="p">,</span><span class="n">b</span><span class="o">.</span><span class="n">path</span><span class="p">))</span> |
---|
516 | <span class="c"># Convert to fitparameter a object</span> |
---|
517 | <span class="n">fitpars</span> <span class="o">=</span> <span class="p">[</span><span class="n">FitParameter</span><span class="p">(</span><span class="n">p</span><span class="o">.</span><span class="n">path</span><span class="p">,</span><span class="n">p</span><span class="o">.</span><span class="n">range</span><span class="p">,</span><span class="n">p</span><span class="o">.</span><span class="n">value</span><span class="p">)</span> |
---|
518 | <span class="k">for</span> <span class="n">p</span> <span class="ow">in</span> <span class="bp">self</span><span class="o">.</span><span class="n">_fitparameters</span><span class="p">]</span> |
---|
519 | <span class="k">return</span> <span class="n">fitpars</span> |
---|
520 | </div> |
---|
521 | <div class="viewcode-block" id="Assembly.set_result"><a class="viewcode-back" href="../../dev/api/park.html#park.assembly.Assembly.set_result">[docs]</a> <span class="k">def</span> <span class="nf">set_result</span><span class="p">(</span><span class="bp">self</span><span class="p">,</span> <span class="n">result</span><span class="p">):</span> |
---|
522 | <span class="sd">"""</span> |
---|
523 | <span class="sd"> Set the parameters resulting from the fit into the parameter set,</span> |
---|
524 | <span class="sd"> and update the calculated expression.</span> |
---|
525 | |
---|
526 | <span class="sd"> The parameter values may be retrieved by walking the assembly.parameterset</span> |
---|
527 | <span class="sd"> tree, checking each parameter for isfitted, iscomputed, or isfixed.</span> |
---|
528 | <span class="sd"> For example::</span> |
---|
529 | |
---|
530 | <span class="sd"> assembly.set_result(result)</span> |
---|
531 | <span class="sd"> for p in assembly.parameterset.flatten():</span> |
---|
532 | <span class="sd"> if p.isfitted():</span> |
---|
533 | <span class="sd"> print "%s %g in [%g,%g]"%(p.path,p.value,p.range[0],p.range[1])</span> |
---|
534 | <span class="sd"> elif p.iscomputed():</span> |
---|
535 | <span class="sd"> print "%s computed as %g"%(p.path.p.value)</span> |
---|
536 | |
---|
537 | <span class="sd"> This does not calculate the function or the residuals for these parameters.</span> |
---|
538 | <span class="sd"> You can call assembly.eval() to do this. The residuals will be set in</span> |
---|
539 | <span class="sd"> assembly[i].residuals. The theory and data are model specific, and can</span> |
---|
540 | <span class="sd"> be found in assembly[i].fitness.data.</span> |
---|
541 | <span class="sd"> """</span> |
---|
542 | <span class="k">for</span> <span class="n">n</span><span class="p">,</span><span class="n">p</span> <span class="ow">in</span> <span class="nb">enumerate</span><span class="p">(</span><span class="n">result</span><span class="o">.</span><span class="n">parameters</span><span class="p">):</span> |
---|
543 | <span class="bp">self</span><span class="o">.</span><span class="n">_fitparameters</span><span class="p">[</span><span class="n">n</span><span class="p">]</span> <span class="o">=</span> <span class="n">p</span><span class="o">.</span><span class="n">value</span> |
---|
544 | <span class="bp">self</span><span class="o">.</span><span class="n">_fitexpression</span><span class="p">()</span> |
---|
545 | </div> |
---|
546 | <div class="viewcode-block" id="Assembly.all_results"><a class="viewcode-back" href="../../dev/api/park.html#park.assembly.Assembly.all_results">[docs]</a> <span class="k">def</span> <span class="nf">all_results</span><span class="p">(</span><span class="bp">self</span><span class="p">,</span> <span class="n">result</span><span class="p">):</span> |
---|
547 | <span class="sd">"""</span> |
---|
548 | <span class="sd"> Extend result from the fit with the calculated parameters.</span> |
---|
549 | <span class="sd"> """</span> |
---|
550 | <span class="n">calcpars</span> <span class="o">=</span> <span class="p">[</span><span class="n">FitParameter</span><span class="p">(</span><span class="n">p</span><span class="o">.</span><span class="n">path</span><span class="p">,</span><span class="n">p</span><span class="o">.</span><span class="n">range</span><span class="p">,</span><span class="n">p</span><span class="o">.</span><span class="n">value</span><span class="p">)</span> |
---|
551 | <span class="k">for</span> <span class="n">p</span> <span class="ow">in</span> <span class="bp">self</span><span class="o">.</span><span class="n">parameterset</span><span class="o">.</span><span class="n">computed</span><span class="p">]</span> |
---|
552 | <span class="n">result</span><span class="o">.</span><span class="n">parameters</span> <span class="o">+=</span> <span class="n">calcpars</span> |
---|
553 | </div> |
---|
554 | <div class="viewcode-block" id="Assembly.result"><a class="viewcode-back" href="../../dev/api/park.html#park.assembly.Assembly.result">[docs]</a> <span class="k">def</span> <span class="nf">result</span><span class="p">(</span><span class="bp">self</span><span class="p">,</span> <span class="n">status</span><span class="o">=</span><span class="s">'step'</span><span class="p">):</span> |
---|
555 | <span class="sd">"""</span> |
---|
556 | <span class="sd"> Details to send back to the fitting client on an improved fit.</span> |
---|
557 | |
---|
558 | <span class="sd"> status is 'start', 'step' or 'end' depending if this is the</span> |
---|
559 | <span class="sd"> first result to return, an improved result, or the final result.</span> |
---|
560 | |
---|
561 | <span class="sd"> [Not implemented]</span> |
---|
562 | <span class="sd"> """</span> |
---|
563 | <span class="k">return</span> <span class="bp">None</span> |
---|
564 | </div> |
---|
565 | <div class="viewcode-block" id="Assembly.fresiduals"><a class="viewcode-back" href="../../dev/api/park.html#park.assembly.Assembly.fresiduals">[docs]</a> <span class="k">def</span> <span class="nf">fresiduals</span><span class="p">(</span><span class="bp">self</span><span class="p">,</span> <span class="n">pvec</span><span class="p">):</span> |
---|
566 | <span class="n">chisq</span> <span class="o">=</span> <span class="bp">self</span><span class="o">.</span><span class="n">__call__</span><span class="p">(</span><span class="n">pvec</span><span class="p">)</span> |
---|
567 | <span class="k">return</span> <span class="bp">self</span><span class="o">.</span><span class="n">residuals</span> |
---|
568 | </div> |
---|
569 | <span class="k">def</span> <span class="nf">__call__</span><span class="p">(</span><span class="bp">self</span><span class="p">,</span> <span class="n">pvec</span><span class="p">):</span> |
---|
570 | <span class="sd">"""</span> |
---|
571 | <span class="sd"> Cost function.</span> |
---|
572 | |
---|
573 | <span class="sd"> Evaluate the system for the parameter vector pvec, returning chisq</span> |
---|
574 | <span class="sd"> as the cost function to be minimized.</span> |
---|
575 | |
---|
576 | <span class="sd"> Raises a runtime error if the number of fit parameters is</span> |
---|
577 | <span class="sd"> different than the length of the vector.</span> |
---|
578 | <span class="sd"> """</span> |
---|
579 | <span class="c"># Plug fit parameters into model</span> |
---|
580 | <span class="c">#print "Trying",pvec</span> |
---|
581 | <span class="n">pars</span> <span class="o">=</span> <span class="bp">self</span><span class="o">.</span><span class="n">_fitparameters</span> |
---|
582 | <span class="k">if</span> <span class="nb">len</span><span class="p">(</span><span class="n">pvec</span><span class="p">)</span> <span class="o">!=</span> <span class="nb">len</span><span class="p">(</span><span class="n">pars</span><span class="p">):</span> |
---|
583 | <span class="k">raise</span> <span class="ne">RuntimeError</span><span class="p">(</span><span class="s">"Unexpected number of parameters"</span><span class="p">)</span> |
---|
584 | <span class="k">for</span> <span class="n">n</span><span class="p">,</span><span class="n">value</span> <span class="ow">in</span> <span class="nb">enumerate</span><span class="p">(</span><span class="n">pvec</span><span class="p">):</span> |
---|
585 | <span class="n">pars</span><span class="p">[</span><span class="n">n</span><span class="p">]</span><span class="o">.</span><span class="n">value</span> <span class="o">=</span> <span class="n">value</span> |
---|
586 | <span class="c"># Evaluate model</span> |
---|
587 | <span class="n">chisq</span> <span class="o">=</span> <span class="bp">self</span><span class="o">.</span><span class="n">eval</span><span class="p">()</span> |
---|
588 | <span class="c"># Evaluate additional restraints based on parameter value</span> |
---|
589 | <span class="c"># likelihood</span> |
---|
590 | <span class="n">restraints_penalty</span> <span class="o">=</span> <span class="mi">0</span> |
---|
591 | <span class="k">for</span> <span class="n">p</span> <span class="ow">in</span> <span class="bp">self</span><span class="o">.</span><span class="n">_restraints</span><span class="p">:</span> |
---|
592 | <span class="n">restraints_penalty</span> <span class="o">+=</span> <span class="n">p</span><span class="o">.</span><span class="n">likelihood</span><span class="p">(</span><span class="n">p</span><span class="o">.</span><span class="n">value</span><span class="p">)</span> |
---|
593 | <span class="c"># Return total cost function</span> |
---|
594 | <span class="k">return</span> <span class="bp">self</span><span class="o">.</span><span class="n">chisq</span> <span class="o">+</span> <span class="n">restraints_penalty</span> |
---|
595 | |
---|
596 | <div class="viewcode-block" id="Assembly.abort"><a class="viewcode-back" href="../../dev/api/park.html#park.assembly.Assembly.abort">[docs]</a> <span class="k">def</span> <span class="nf">abort</span><span class="p">(</span><span class="bp">self</span><span class="p">):</span> |
---|
597 | <span class="sd">"""</span> |
---|
598 | <span class="sd"> Interrupt the current function evaluation.</span> |
---|
599 | |
---|
600 | <span class="sd"> Forward this to the currently executing model if possible.</span> |
---|
601 | <span class="sd"> """</span> |
---|
602 | <span class="bp">self</span><span class="o">.</span><span class="n">_cancel</span> <span class="o">=</span> <span class="bp">True</span> |
---|
603 | <span class="k">if</span> <span class="nb">hasattr</span><span class="p">(</span><span class="bp">self</span><span class="o">.</span><span class="n">_current_model</span><span class="p">,</span><span class="s">'abort'</span><span class="p">):</span> |
---|
604 | <span class="bp">self</span><span class="o">.</span><span class="n">_current_model</span><span class="o">.</span><span class="n">abort</span><span class="p">()</span> |
---|
605 | </div></div> |
---|
606 | <span class="k">class</span> <span class="nc">_Exp</span><span class="p">(</span><span class="n">park</span><span class="o">.</span><span class="n">Model</span><span class="p">):</span> |
---|
607 | <span class="sd">"""</span> |
---|
608 | <span class="sd"> Sample model for testing assembly.</span> |
---|
609 | <span class="sd"> """</span> |
---|
610 | <span class="n">parameters</span> <span class="o">=</span> <span class="p">[</span><span class="s">'a'</span><span class="p">,</span><span class="s">'c'</span><span class="p">]</span> |
---|
611 | <span class="k">def</span> <span class="nf">eval</span><span class="p">(</span><span class="bp">self</span><span class="p">,</span><span class="n">x</span><span class="p">):</span> |
---|
612 | <span class="k">return</span> <span class="bp">self</span><span class="o">.</span><span class="n">a</span><span class="o">*</span><span class="n">numpy</span><span class="o">.</span><span class="n">exp</span><span class="p">(</span><span class="bp">self</span><span class="o">.</span><span class="n">c</span><span class="o">*</span><span class="n">x</span><span class="p">)</span> |
---|
613 | <span class="k">class</span> <span class="nc">_Linear</span><span class="p">(</span><span class="n">park</span><span class="o">.</span><span class="n">Model</span><span class="p">):</span> |
---|
614 | <span class="n">parameters</span> <span class="o">=</span> <span class="p">[</span><span class="s">'a'</span><span class="p">,</span><span class="s">'c'</span><span class="p">]</span> |
---|
615 | <span class="k">def</span> <span class="nf">eval</span><span class="p">(</span><span class="bp">self</span><span class="p">,</span><span class="n">x</span><span class="p">):</span> |
---|
616 | <span class="c">#print "eval",self.a,self.c,x,self.a*x+self.c</span> |
---|
617 | <span class="k">return</span> <span class="bp">self</span><span class="o">.</span><span class="n">a</span><span class="o">*</span><span class="n">x</span><span class="o">+</span><span class="bp">self</span><span class="o">.</span><span class="n">c</span> |
---|
618 | <span class="k">def</span> <span class="nf">example</span><span class="p">():</span> |
---|
619 | <span class="sd">"""</span> |
---|
620 | <span class="sd"> Return an example assembly consisting of a pair of functions,</span> |
---|
621 | <span class="sd"> M1.a*exp(M1.c*x), M2.a*exp(2*M1.c*x)</span> |
---|
622 | <span class="sd"> and ideal data for</span> |
---|
623 | <span class="sd"> M1.a=1, M1.c=1.5, M2.a=2.5</span> |
---|
624 | <span class="sd"> """</span> |
---|
625 | <span class="kn">import</span> <span class="nn">numpy</span> |
---|
626 | <span class="kn">import</span> <span class="nn">park</span> |
---|
627 | <span class="kn">from</span> <span class="nn">numpy</span> <span class="kn">import</span> <span class="n">inf</span> |
---|
628 | <span class="c"># Make some fake data</span> |
---|
629 | <span class="n">x1</span> <span class="o">=</span> <span class="n">numpy</span><span class="o">.</span><span class="n">linspace</span><span class="p">(</span><span class="mi">0</span><span class="p">,</span><span class="mi">1</span><span class="p">,</span><span class="mi">11</span><span class="p">)</span> |
---|
630 | <span class="n">x2</span> <span class="o">=</span> <span class="n">numpy</span><span class="o">.</span><span class="n">linspace</span><span class="p">(</span><span class="mi">0</span><span class="p">,</span><span class="mi">1</span><span class="p">,</span><span class="mi">12</span><span class="p">)</span> |
---|
631 | <span class="c"># Define a shared model</span> |
---|
632 | <span class="k">if</span> <span class="bp">True</span><span class="p">:</span> <span class="c"># Exp model</span> |
---|
633 | <span class="n">y1</span><span class="p">,</span><span class="n">y2</span> <span class="o">=</span> <span class="n">numpy</span><span class="o">.</span><span class="n">exp</span><span class="p">(</span><span class="mf">1.5</span><span class="o">*</span><span class="n">x1</span><span class="p">),</span><span class="mf">2.5</span><span class="o">*</span><span class="n">numpy</span><span class="o">.</span><span class="n">exp</span><span class="p">(</span><span class="mi">3</span><span class="o">*</span><span class="n">x2</span><span class="p">)</span> |
---|
634 | <span class="n">M1</span> <span class="o">=</span> <span class="n">_Exp</span><span class="p">(</span><span class="s">'M1'</span><span class="p">,</span><span class="n">a</span><span class="o">=</span><span class="p">[</span><span class="mi">1</span><span class="p">,</span><span class="mi">3</span><span class="p">],</span><span class="n">c</span><span class="o">=</span><span class="p">[</span><span class="mi">1</span><span class="p">,</span><span class="mi">3</span><span class="p">])</span> |
---|
635 | <span class="n">M2</span> <span class="o">=</span> <span class="n">_Exp</span><span class="p">(</span><span class="s">'M2'</span><span class="p">,</span><span class="n">a</span><span class="o">=</span><span class="p">[</span><span class="mi">1</span><span class="p">,</span><span class="mi">3</span><span class="p">],</span><span class="n">c</span><span class="o">=</span><span class="s">'2*M1.c'</span><span class="p">)</span> |
---|
636 | <span class="c">#M2 = _Exp('M2',a=[1,3],c=3)</span> |
---|
637 | <span class="k">else</span><span class="p">:</span> <span class="c"># Linear model</span> |
---|
638 | <span class="n">y1</span><span class="p">,</span><span class="n">y2</span> <span class="o">=</span> <span class="n">x1</span><span class="o">+</span><span class="mf">1.5</span><span class="p">,</span> <span class="mf">2.5</span><span class="o">*</span><span class="n">x2</span><span class="o">+</span><span class="mi">3</span> |
---|
639 | <span class="n">M1</span> <span class="o">=</span> <span class="n">_Linear</span><span class="p">(</span><span class="s">'M1'</span><span class="p">,</span><span class="n">a</span><span class="o">=</span><span class="p">[</span><span class="mi">1</span><span class="p">,</span><span class="mi">3</span><span class="p">],</span><span class="n">c</span><span class="o">=</span><span class="p">[</span><span class="mi">1</span><span class="p">,</span><span class="mi">3</span><span class="p">])</span> |
---|
640 | <span class="n">M2</span> <span class="o">=</span> <span class="n">_Linear</span><span class="p">(</span><span class="s">'M2'</span><span class="p">,</span><span class="n">a</span><span class="o">=</span><span class="p">[</span><span class="mi">1</span><span class="p">,</span><span class="mi">3</span><span class="p">],</span><span class="n">c</span><span class="o">=</span><span class="s">'2*M1.c'</span><span class="p">)</span> |
---|
641 | <span class="k">if</span> <span class="bp">False</span><span class="p">:</span> <span class="c"># Unbounded</span> |
---|
642 | <span class="n">M1</span><span class="o">.</span><span class="n">a</span> <span class="o">=</span> <span class="p">[</span><span class="o">-</span><span class="n">inf</span><span class="p">,</span><span class="n">inf</span><span class="p">]</span> |
---|
643 | <span class="n">M1</span><span class="o">.</span><span class="n">c</span> <span class="o">=</span> <span class="p">[</span><span class="o">-</span><span class="n">inf</span><span class="p">,</span><span class="n">inf</span><span class="p">]</span> |
---|
644 | <span class="n">M2</span><span class="o">.</span><span class="n">a</span> <span class="o">=</span> <span class="p">[</span><span class="o">-</span><span class="n">inf</span><span class="p">,</span><span class="n">inf</span><span class="p">]</span> |
---|
645 | <span class="n">D1</span> <span class="o">=</span> <span class="n">park</span><span class="o">.</span><span class="n">Data1D</span><span class="p">(</span><span class="n">x</span><span class="o">=</span><span class="n">x1</span><span class="p">,</span> <span class="n">y</span><span class="o">=</span><span class="n">y1</span><span class="p">)</span> |
---|
646 | <span class="n">D2</span> <span class="o">=</span> <span class="n">park</span><span class="o">.</span><span class="n">Data1D</span><span class="p">(</span><span class="n">x</span><span class="o">=</span><span class="n">x2</span><span class="p">,</span> <span class="n">y</span><span class="o">=</span><span class="n">y2</span><span class="p">)</span> |
---|
647 | <span class="c"># Construct the assembly</span> |
---|
648 | <span class="n">assembly</span> <span class="o">=</span> <span class="n">park</span><span class="o">.</span><span class="n">Assembly</span><span class="p">([(</span><span class="n">M1</span><span class="p">,</span><span class="n">D1</span><span class="p">),(</span><span class="n">M2</span><span class="p">,</span><span class="n">D2</span><span class="p">)])</span> |
---|
649 | <span class="k">return</span> <span class="n">assembly</span> |
---|
650 | |
---|
651 | <span class="k">class</span> <span class="nc">_Sphere</span><span class="p">(</span><span class="n">park</span><span class="o">.</span><span class="n">Model</span><span class="p">):</span> |
---|
652 | <span class="n">parameters</span> <span class="o">=</span> <span class="p">[</span><span class="s">'a'</span><span class="p">,</span><span class="s">'b'</span><span class="p">,</span><span class="s">'c'</span><span class="p">,</span><span class="s">'d'</span><span class="p">,</span><span class="s">'e'</span><span class="p">]</span> |
---|
653 | <span class="k">def</span> <span class="nf">eval</span><span class="p">(</span><span class="bp">self</span><span class="p">,</span><span class="n">x</span><span class="p">):</span> |
---|
654 | <span class="k">return</span> <span class="bp">self</span><span class="o">.</span><span class="n">a</span><span class="o">*</span><span class="n">x</span><span class="o">**</span><span class="mi">2</span><span class="o">+</span><span class="bp">self</span><span class="o">.</span><span class="n">b</span><span class="o">*</span><span class="n">x</span><span class="o">+</span><span class="bp">self</span><span class="o">.</span><span class="n">c</span> <span class="o">+</span> <span class="n">exp</span><span class="p">(</span><span class="bp">self</span><span class="o">.</span><span class="n">d</span><span class="p">)</span> <span class="o">-</span> <span class="mi">3</span><span class="o">*</span><span class="n">sin</span><span class="p">(</span><span class="bp">self</span><span class="o">.</span><span class="n">e</span><span class="p">)</span> |
---|
655 | |
---|
656 | <span class="k">def</span> <span class="nf">example5</span><span class="p">():</span> |
---|
657 | <span class="kn">import</span> <span class="nn">numpy</span> |
---|
658 | <span class="kn">import</span> <span class="nn">park</span> |
---|
659 | <span class="kn">from</span> <span class="nn">numpy</span> <span class="kn">import</span> <span class="n">inf</span> |
---|
660 | <span class="c"># Make some fake data</span> |
---|
661 | <span class="n">x</span> <span class="o">=</span> <span class="n">numpy</span><span class="o">.</span><span class="n">linspace</span><span class="p">(</span><span class="mi">0</span><span class="p">,</span><span class="mi">1</span><span class="p">,</span><span class="mi">11</span><span class="p">)</span> |
---|
662 | <span class="c"># Define a shared model</span> |
---|
663 | <span class="n">S</span> <span class="o">=</span> <span class="n">_Sphere</span><span class="p">(</span><span class="n">a</span><span class="o">=</span><span class="mi">1</span><span class="p">,</span><span class="n">b</span><span class="o">=</span><span class="mi">2</span><span class="p">,</span><span class="n">c</span><span class="o">=</span><span class="mi">3</span><span class="p">,</span><span class="n">d</span><span class="o">=</span><span class="mi">4</span><span class="p">,</span><span class="n">e</span><span class="o">=</span><span class="mi">5</span><span class="p">)</span> |
---|
664 | <span class="n">y</span> <span class="o">=</span> <span class="n">S</span><span class="o">.</span><span class="n">eval</span><span class="p">(</span><span class="n">x1</span><span class="p">)</span> |
---|
665 | <span class="n">Sfit</span> <span class="o">=</span> <span class="n">_Sphere</span><span class="p">(</span><span class="n">a</span><span class="o">=</span><span class="p">[</span><span class="o">-</span><span class="n">inf</span><span class="p">,</span><span class="n">inf</span><span class="p">],</span><span class="n">b</span><span class="o">=</span><span class="p">[</span><span class="o">-</span><span class="n">inf</span><span class="p">,</span><span class="n">inf</span><span class="p">],</span><span class="n">c</span><span class="o">=</span><span class="p">[</span><span class="o">-</span><span class="n">inf</span><span class="p">,</span><span class="n">inf</span><span class="p">],</span><span class="n">d</span><span class="o">=</span><span class="p">[</span><span class="o">-</span><span class="n">inf</span><span class="p">,</span><span class="n">inf</span><span class="p">],</span><span class="n">e</span><span class="o">=</span><span class="p">[</span><span class="o">-</span><span class="n">inf</span><span class="p">,</span><span class="n">inf</span><span class="p">])</span> |
---|
666 | <span class="n">D</span> <span class="o">=</span> <span class="n">park</span><span class="o">.</span><span class="n">Data1D</span><span class="p">(</span><span class="n">x</span><span class="o">=</span><span class="n">x</span><span class="p">,</span> <span class="n">y</span><span class="o">=</span><span class="n">y</span><span class="p">)</span> |
---|
667 | <span class="c"># Construct the assembly</span> |
---|
668 | <span class="n">assembly</span> <span class="o">=</span> <span class="n">park</span><span class="o">.</span><span class="n">Assembly</span><span class="p">([(</span><span class="n">Sfit</span><span class="p">,</span><span class="n">D</span><span class="p">)])</span> |
---|
669 | <span class="k">return</span> <span class="n">assembly</span> |
---|
670 | |
---|
671 | <span class="k">def</span> <span class="nf">test</span><span class="p">():</span> |
---|
672 | <span class="n">assembly</span> <span class="o">=</span> <span class="n">example</span><span class="p">()</span> |
---|
673 | <span class="k">assert</span> <span class="n">assembly</span><span class="p">[</span><span class="mi">0</span><span class="p">]</span><span class="o">.</span><span class="n">parameterset</span><span class="o">.</span><span class="n">name</span> <span class="o">==</span> <span class="s">'M1'</span> |
---|
674 | |
---|
675 | <span class="c"># extract the fitting parameters</span> |
---|
676 | <span class="n">pars</span> <span class="o">=</span> <span class="p">[</span><span class="n">p</span><span class="o">.</span><span class="n">name</span> <span class="k">for</span> <span class="n">p</span> <span class="ow">in</span> <span class="n">assembly</span><span class="o">.</span><span class="n">fit_parameters</span><span class="p">()]</span> |
---|
677 | <span class="k">assert</span> <span class="nb">set</span><span class="p">(</span><span class="n">pars</span><span class="p">)</span> <span class="o">==</span> <span class="nb">set</span><span class="p">([</span><span class="s">'M1.a'</span><span class="p">,</span><span class="s">'M1.c'</span><span class="p">,</span><span class="s">'M2.a'</span><span class="p">])</span> |
---|
678 | <span class="c"># Compute chisq and verify constraints are updated properly</span> |
---|
679 | <span class="k">assert</span> <span class="n">assembly</span><span class="p">([</span><span class="mi">1</span><span class="p">,</span><span class="mf">1.5</span><span class="p">,</span><span class="mf">2.5</span><span class="p">])</span> <span class="o">==</span> <span class="mi">0</span> |
---|
680 | <span class="k">assert</span> <span class="n">assembly</span><span class="p">[</span><span class="mi">0</span><span class="p">]</span><span class="o">.</span><span class="n">model</span><span class="o">.</span><span class="n">c</span> <span class="o">==</span> <span class="mf">1.5</span> <span class="ow">and</span> <span class="n">assembly</span><span class="p">[</span><span class="mi">1</span><span class="p">]</span><span class="o">.</span><span class="n">model</span><span class="o">.</span><span class="n">c</span> <span class="o">==</span> <span class="mi">3</span> |
---|
681 | |
---|
682 | <span class="c"># Try without constraints</span> |
---|
683 | <span class="n">assembly</span><span class="p">[</span><span class="mi">1</span><span class="p">]</span><span class="o">.</span><span class="n">set</span><span class="p">(</span><span class="n">c</span><span class="o">=</span><span class="mi">3</span><span class="p">)</span> |
---|
684 | <span class="n">assembly</span><span class="o">.</span><span class="n">fit_parameters</span><span class="p">()</span> <span class="c"># Fit parameters have changed</span> |
---|
685 | <span class="k">assert</span> <span class="n">assembly</span><span class="p">([</span><span class="mi">1</span><span class="p">,</span><span class="mf">1.5</span><span class="p">,</span><span class="mf">2.5</span><span class="p">])</span> <span class="o">==</span> <span class="mi">0</span> |
---|
686 | |
---|
687 | <span class="c"># Check that assembly.cov runs ... still need to check that it is correct!</span> |
---|
688 | <span class="n">C</span> <span class="o">=</span> <span class="n">assembly</span><span class="o">.</span><span class="n">cov</span><span class="p">(</span><span class="n">numpy</span><span class="o">.</span><span class="n">array</span><span class="p">([</span><span class="mi">1</span><span class="p">,</span><span class="mf">1.5</span><span class="p">,</span><span class="mf">2.5</span><span class="p">]))</span> |
---|
689 | |
---|
690 | <span class="k">if</span> <span class="n">__name__</span> <span class="o">==</span> <span class="s">"__main__"</span><span class="p">:</span> <span class="n">test</span><span class="p">()</span> |
---|
691 | </pre></div> |
---|
692 | |
---|
693 | </div> |
---|
694 | </div> |
---|
695 | </div> |
---|
696 | <div class="sphinxsidebar"> |
---|
697 | <div class="sphinxsidebarwrapper"> |
---|
698 | <div id="searchbox" style="display: none"> |
---|
699 | <h3>Quick search</h3> |
---|
700 | <form class="search" action="../../search.html" method="get"> |
---|
701 | <input type="text" name="q" /> |
---|
702 | <input type="submit" value="Go" /> |
---|
703 | <input type="hidden" name="check_keywords" value="yes" /> |
---|
704 | <input type="hidden" name="area" value="default" /> |
---|
705 | </form> |
---|
706 | <p class="searchtip" style="font-size: 90%"> |
---|
707 | Enter search terms or a module, class or function name. |
---|
708 | </p> |
---|
709 | </div> |
---|
710 | <script type="text/javascript">$('#searchbox').show(0);</script> |
---|
711 | </div> |
---|
712 | </div> |
---|
713 | <div class="clearer"></div> |
---|
714 | </div> |
---|
715 | <div class="related"> |
---|
716 | <h3>Navigation</h3> |
---|
717 | <ul> |
---|
718 | <li class="right" style="margin-right: 10px"> |
---|
719 | <a href="../../genindex.html" title="General Index" |
---|
720 | >index</a></li> |
---|
721 | <li class="right" > |
---|
722 | <a href="../../py-modindex.html" title="Python Module Index" |
---|
723 | >modules</a> |</li> |
---|
724 | <li><a href="../../index.html">SasView 3.0.0 documentation</a> »</li> |
---|
725 | <li><a href="../index.html" >Module code</a> »</li> |
---|
726 | </ul> |
---|
727 | </div> |
---|
728 | <div class="footer"> |
---|
729 | © Copyright 2013, The SasView Project. |
---|
730 | Created using <a href="http://sphinx-doc.org/">Sphinx</a> 1.2.3. |
---|
731 | </div> |
---|
732 | </body> |
---|
733 | </html> |
---|