source: sasview/sansmodels/src/sans/models/test/utest_dispersity.py @ 69b4027

ESS_GUIESS_GUI_DocsESS_GUI_batch_fittingESS_GUI_bumps_abstractionESS_GUI_iss1116ESS_GUI_iss879ESS_GUI_iss959ESS_GUI_openclESS_GUI_orderingESS_GUI_sync_sascalccostrafo411magnetic_scattrelease-4.1.1release-4.1.2release-4.2.2release_4.0.1ticket-1009ticket-1094-headlessticket-1242-2d-resolutionticket-1243ticket-1249ticket885unittest-saveload
Last change on this file since 69b4027 was 18b89c4, checked in by Jae Cho <jhjcho@…>, 14 years ago

updated some param values because of the changes of libigor (contrast not used no longer)
  • Property mode set to 100644
File size: 18.9 KB
Line 
1"""
2    Unit tests for dispersion functionality of
3    C++ model classes
4"""
5
6import unittest, math, numpy
7
8class TestCylinder(unittest.TestCase):
9    """
10        Testing C++ Cylinder model
11    """
12    def setUp(self):
13        from sans.models.CylinderModel import CylinderModel
14        self.model= CylinderModel()
15       
16        self.model.setParam('scale', 1.0)
17        self.model.setParam('radius', 20.0)
18        self.model.setParam('length', 400.0)
19        self.model.setParam('sldCyl', 4.e-6)
20        self.model.setParam('sldSolv', 1.e-6)
21        self.model.setParam('background', 0.0)
22        self.model.setParam('cyl_theta', 0.0)
23        self.model.setParam('cyl_phi', 0.0)
24       
25    def test_simple(self):
26        self.assertAlmostEqual(self.model.run(0.001), 450.355, 3)
27        self.assertAlmostEqual(self.model.runXY([0.001,0.001]), 452.299, 3)
28       
29    def test_constant(self):
30        from sans.models.dispersion_models import DispersionModel
31        disp = DispersionModel()
32        self.model.setParam('scale', 10.0)
33        self.model.set_dispersion('radius', disp)
34        self.model.dispersion['radius']['width'] = 5.0
35        self.model.dispersion['radius']['npts'] = 100
36        self.model.dispersion['radius']['nsigmas'] = 2.5
37       
38        self.assertAlmostEqual(self.model.run(0.001), 1.021051*4527.47250339, 3)
39        self.assertAlmostEqual(self.model.runXY([0.001, 0.001]), 1.021048*4546.997777604715, 2)
40       
41    def test_gaussian(self):
42        from sans.models.dispersion_models import GaussianDispersion
43        disp = GaussianDispersion()
44        self.model.set_dispersion('radius', disp)
45        self.model.dispersion['radius']['width'] = 5.0
46        self.model.dispersion['radius']['npts'] = 100
47        self.model.dispersion['radius']['nsigmas'] = 2.5
48        self.model.setParam('scale', 10.0)
49       
50        self.assertAlmostEqual(self.model.run(0.001), 1.1804794*4723.32213339, 3)
51        self.assertAlmostEqual(self.model.runXY([0.001,0.001]), 1.180454*4743.56, 2)
52       
53    def test_clone(self):
54        from sans.models.dispersion_models import GaussianDispersion
55        disp = GaussianDispersion()
56        self.model.set_dispersion('radius', disp)
57        self.model.dispersion['radius']['width'] = 5.0
58        self.model.dispersion['radius']['npts'] = 100
59        self.model.dispersion['radius']['nsigmas'] = 2.5
60        self.model.setParam('scale', 10.0)
61       
62        new_model = self.model.clone()
63        self.assertAlmostEqual(new_model.run(0.001), 1.1804794*4723.32213339, 3)
64        self.assertAlmostEqual(new_model.runXY([0.001,0.001]), 1.180454*4743.56, 2)
65       
66    def test_gaussian_zero(self):
67        from sans.models.dispersion_models import GaussianDispersion
68        disp = GaussianDispersion()
69        self.model.set_dispersion('radius', disp)
70        self.model.dispersion['radius']['width'] = 0.0
71        self.model.dispersion['radius']['npts'] = 100
72        self.model.dispersion['radius']['nsigmas'] = 2.5
73        self.model.setParam('scale', 1.0)
74       
75        self.assertAlmostEqual(self.model.run(0.001), 450.355, 3)
76        self.assertAlmostEqual(self.model.runXY([0.001,0.001]), 452.299, 3)
77       
78    def test_array(self):
79        """
80            Perform complete rotational average and
81            compare to 1D
82        """
83        from sans.models.dispersion_models import ArrayDispersion
84        disp_ph = ArrayDispersion()
85        disp_th = ArrayDispersion()
86       
87        values_ph = numpy.zeros(100)
88        values_th = numpy.zeros(100)
89        weights   = numpy.zeros(100)
90        for i in range(100):
91            values_ph[i]=(360/99.0*i)
92            values_th[i]=(180/99.0*i)
93            weights[i]=(1.0)
94       
95        disp_ph.set_weights(values_ph, weights)
96        disp_th.set_weights(values_th, weights)
97       
98        self.model.set_dispersion('cyl_theta', disp_th)
99        self.model.set_dispersion('cyl_phi', disp_ph)
100       
101        val_1d = self.model.run(math.sqrt(0.0002))
102        val_2d = self.model.runXY([0.01,0.01]) 
103       
104        self.assertTrue(math.fabs(val_1d-val_2d)/val_1d < 0.02)
105       
106class TestCoreShellCylinder(unittest.TestCase):
107    """
108        Testing C++ Cylinder model
109    """
110    def setUp(self):
111        from sans.models.CoreShellCylinderModel import CoreShellCylinderModel
112        self.model= CoreShellCylinderModel()
113       
114        self.model.setParam('scale', 1.0)
115        self.model.setParam('radius', 20.0)
116        self.model.setParam('thickness', 10.0)
117        self.model.setParam('length', 400.0)
118        self.model.setParam('core_sld', 1.e-6)
119        self.model.setParam('shell_sld', 4.e-6)
120        self.model.setParam('solvent_sld', 1.e-6)
121        self.model.setParam('background', 0.0)
122        self.model.setParam('axis_theta', 0.0)
123        self.model.setParam('axis_phi', 0.0)
124       
125    def test_simple(self):
126        """
127            Test simple 1D and 2D values
128            Numbers taken from model that passed validation, before
129            the update to C++ underlying class.
130        """
131        self.assertAlmostEqual(self.model.run(0.001), 353.55013216754583, 3)
132        self.assertAlmostEqual(self.model.runXY([0.001,0.001]), 355.25355270620543, 3)
133       
134    def test_dispersion(self):
135        """
136            Test with dispersion
137        """
138        from sans.models.DisperseModel import DisperseModel
139        disp = DisperseModel(self.model, ['radius', 'thickness', 'length'], [5, 2, 50])
140        disp.setParam('n_pts', 10)
141        self.assertAlmostEqual(disp.run(0.001), 358.44062724936009, 3)
142        self.assertAlmostEqual(disp.runXY([0.001,0.001]), 360.22673635224584, 3)
143
144    def test_new_disp(self):
145        from sans.models.dispersion_models import GaussianDispersion
146        disp_rm = GaussianDispersion()
147        self.model.set_dispersion('radius', disp_rm)
148        self.model.dispersion['radius']['width'] = 5.0
149        self.model.dispersion['radius']['npts'] = 10
150        self.model.dispersion['radius']['nsigmas'] = 2.5
151
152        disp_rr = GaussianDispersion()
153        self.model.set_dispersion('thickness', disp_rr)
154        self.model.dispersion['thickness']['width'] = 2.
155        self.model.dispersion['thickness']['npts'] = 10
156        self.model.dispersion['thickness']['nsigmas'] = 2.5
157
158        disp_len = GaussianDispersion()
159        self.model.set_dispersion('length', disp_len)
160        self.model.dispersion['length']['width'] = 50.0
161        self.model.dispersion['length']['npts'] = 10
162        self.model.dispersion['length']['nsigmas'] = 2.5
163
164        self.assertAlmostEqual(self.model.run(0.001), 1.07832610*358.44062724936009, 3)
165        self.assertAlmostEqual(self.model.runXY([0.001,0.001]), 1.07844010*360.22673635224584, 3)
166       
167
168    def test_array(self):
169        """
170            Perform complete rotational average and
171            compare to 1D
172        """
173        from sans.models.dispersion_models import ArrayDispersion
174        disp_ph = ArrayDispersion()
175        disp_th = ArrayDispersion()
176       
177        values_ph = numpy.zeros(100)
178        values_th = numpy.zeros(100)
179        weights   = numpy.zeros(100)
180        for i in range(100):
181            values_ph[i]=(360/99.0*i)
182            values_th[i]=(180/99.0*i)
183            weights[i]=(1.0)
184       
185        disp_ph.set_weights(values_ph, weights)
186        disp_th.set_weights(values_th, weights)
187       
188        self.model.set_dispersion('axis_theta', disp_th)
189        self.model.set_dispersion('axis_phi', disp_ph)
190       
191        val_1d = self.model.run(math.sqrt(0.0002))
192        val_2d = self.model.runXY([0.01,0.01]) 
193       
194        self.assertTrue(math.fabs(val_1d-val_2d)/val_1d < 0.02)
195       
196       
197       
198class TestCoreShell(unittest.TestCase):
199    """
200        Testing C++ Cylinder model
201    """
202    def setUp(self):
203        from sans.models.CoreShellModel import CoreShellModel
204        self.model= CoreShellModel()
205       
206        self.model.setParam('scale', 1.0)
207        self.model.setParam('radius', 60.0)
208        self.model.setParam('thickness', 10.0)
209        self.model.setParam('core_sld', 1.e-6)
210        self.model.setParam('shell_sld', 2.e-6)
211        self.model.setParam('solvent_sld', 3.e-6)
212        self.model.setParam('background', 0.0)
213       
214    def test_simple(self):
215        """
216            Test simple 1D and 2D values
217            Numbers taken from model that passed validation, before
218            the update to C++ underlying class.
219        """
220        self.assertAlmostEqual(self.model.run(0.001), 381.27304697150055, 3)
221        self.assertAlmostEqual(self.model.runXY([0.001,0.001]), 380.93779156218682, 3)
222       
223    def test_dispersion(self):
224        """
225            Test with dispersion
226        """
227        from sans.models.DisperseModel import DisperseModel
228        disp = DisperseModel(self.model, ['radius', 'thickness'], [10, 2])
229        disp.setParam('n_pts', 10)
230        self.assertAlmostEqual(disp.run(0.001), 407.344127907553, 3)
231   
232    def test_new_disp(self):
233        from sans.models.dispersion_models import GaussianDispersion
234        disp_rm = GaussianDispersion()
235        self.model.set_dispersion('radius', disp_rm)
236        self.model.dispersion['radius']['width'] = 10.
237        self.model.dispersion['radius']['npts'] = 10
238        self.model.dispersion['radius']['nsigmas'] = 2.5
239
240        disp_rr = GaussianDispersion()
241        self.model.set_dispersion('thickness', disp_rr)
242        self.model.dispersion['thickness']['width'] = 2.
243        self.model.dispersion['thickness']['npts'] = 10
244        self.model.dispersion['thickness']['nsigmas'] = 2.5
245
246        self.assertAlmostEqual(self.model.run(0.001), 1.16747510*407.344127907553, 3)
247
248       
249class TestEllipsoid(unittest.TestCase):
250    """
251        Testing C++ Cylinder model
252    """
253    def setUp(self):
254        from sans.models.EllipsoidModel import EllipsoidModel
255        self.model= EllipsoidModel()
256       
257        self.model.setParam('scale', 1.0)
258        self.model.setParam('radius_a', 20.0)
259        self.model.setParam('radius_b', 400.0)
260        self.model.setParam('sldEll', 4.e-6)
261        self.model.setParam('sldSolv', 1.e-6)
262        self.model.setParam('background', 0.0)
263        self.model.setParam('axis_theta', 89.95445)
264        self.model.setParam('axis_phi', 0.0)
265       
266    def test_simple(self):
267        """
268            Test simple 1D and 2D values
269            Numbers taken from model that passed validation, before
270            the update to C++ underlying class.
271        """
272        self.assertAlmostEqual(self.model.run(0.001), 11808.842896863147, 3)
273        self.assertAlmostEqual(self.model.runXY([0.001,0.001]), 11681.990374929677, 3)
274
275    def test_dispersion(self):
276        """
277            Test with dispersion
278        """
279        from sans.models.DisperseModel import DisperseModel
280        disp = DisperseModel(self.model, ['radius_a', 'radius_b'], [5, 50])
281        disp.setParam('n_pts', 10)
282
283        self.assertAlmostEqual(disp.run(0.001), 11948.72581312305, 3)
284        self.assertAlmostEqual(disp.runXY([0.001,0.001]), 11811.972359807551, 3)
285       
286    def test_new_disp(self):
287        from sans.models.dispersion_models import GaussianDispersion
288        disp_rm = GaussianDispersion()
289        self.model.set_dispersion('radius_a', disp_rm)
290        self.model.dispersion['radius_a']['width'] = 5.0
291        self.model.dispersion['radius_a']['npts'] = 10
292        self.model.dispersion['radius_a']['nsigmas'] = 2.5
293
294        disp_rr = GaussianDispersion()
295        self.model.set_dispersion('radius_b', disp_rr)
296        self.model.dispersion['radius_b']['width'] = 50.
297        self.model.dispersion['radius_b']['npts'] = 10
298        self.model.dispersion['radius_b']['nsigmas'] = 2.5
299
300        self.assertAlmostEqual(self.model.run(0.001), 1.10650710*11948.72581312305, 3)
301        self.assertAlmostEqual(self.model.runXY([0.001,0.001]), 1.105898*11811.972359807551, 2)
302
303    def test_array(self):
304        """
305            Perform complete rotational average and
306            compare to 1D
307        """
308        from sans.models.dispersion_models import ArrayDispersion
309        disp_ph = ArrayDispersion()
310        disp_th = ArrayDispersion()
311       
312        values_ph = numpy.zeros(100)
313        values_th = numpy.zeros(100)
314        weights   = numpy.zeros(100)
315        for i in range(100):
316            values_ph[i]=(360/99.0*i)
317            values_th[i]=(180/99.0*i)
318            weights[i]=(1.0)
319       
320        disp_ph.set_weights(values_ph, weights)
321        disp_th.set_weights(values_th, weights)
322       
323        self.model.set_dispersion('axis_theta', disp_th)
324        self.model.set_dispersion('axis_phi', disp_ph)
325       
326        val_1d = self.model.run(math.sqrt(0.0002))
327        val_2d = self.model.runXY([0.01,0.01]) 
328       
329        self.assertTrue(math.fabs(val_1d-val_2d)/val_1d < 0.02)
330       
331       
332       
333class TestSphere(unittest.TestCase):
334    """
335        Testing C++ Cylinder model
336    """
337    def setUp(self):
338        from sans.models.SphereModel import SphereModel
339        self.model= SphereModel()
340       
341        self.model.setParam('scale', 1.0)
342        self.model.setParam('radius', 60.0)
343        self.model.setParam('sldSph', 2.0e-06)
344        self.model.setParam('sldSolv', 1.0e-6)
345        self.model.setParam('background', 0.0)
346       
347    def test_simple(self):
348        """
349            Test simple 1D and 2D values
350            Numbers taken from model that passed validation, before
351            the update to C++ underlying class.
352        """
353        self.assertAlmostEqual(self.model.run(0.001), 90412744456148.094, 3)
354        self.assertAlmostEqual(self.model.runXY([0.001,0.001]), 90347660670656.391, 1)
355
356    def test_dispersion(self):
357        """
358            Test with dispersion
359        """
360        from sans.models.DisperseModel import DisperseModel
361        disp = DisperseModel(self.model, ['radius'], [10])
362        disp.setParam('n_pts', 10)
363        self.assertAlmostEqual(disp.run(0.001), 96795008379475.25, 1)
364       
365    def test_new_disp(self):
366        from sans.models.dispersion_models import GaussianDispersion
367        disp_rm = GaussianDispersion()
368        self.model.set_dispersion('radius', disp_rm)
369        self.model.dispersion['radius']['width'] = 10.0
370        self.model.dispersion['radius']['npts'] = 10
371        self.model.dispersion['radius']['nsigmas'] = 2.5
372
373        self.assertAlmostEqual(self.model.run(0.001), 1.19864810*96795008379475.25,3)
374       
375       
376       
377class TestEllipticalCylinder(unittest.TestCase):
378    """
379        Testing C++ Cylinder model
380    """
381    def setUp(self):
382        from sans.models.EllipticalCylinderModel import EllipticalCylinderModel
383        self.model= EllipticalCylinderModel()
384       
385        self.model.setParam('scale', 1.0)
386        self.model.setParam('r_minor', 20.0)
387        self.model.setParam('r_ratio', 1.5)
388        self.model.setParam('length', 400.0)
389        self.model.setParam('sldCyl', 4.0e-6)
390        self.model.setParam('sldSolv', 1.0e-6)
391        self.model.setParam('background', 0.0)
392        self.model.setParam('cyl_theta', 90)
393        self.model.setParam('cyl_phi', 0.0)
394        self.model.setParam('cyl_psi', 0.0)
395       
396    def test_simple(self):
397        """
398            Test simple 1D and 2D values
399            Numbers taken from model that passed validation, before
400            the update to C++ underlying class.
401        """
402        self.assertAlmostEqual(self.model.run(0.001), 675.50440232504991, 3)
403        self.assertAlmostEqual(self.model.runXY([0.001,0.001]), 669.5173937622792, 0)
404       
405    def test_dispersion(self):
406        """
407            Test with dispersion
408        """
409        from sans.models.DisperseModel import DisperseModel
410        disp = DisperseModel(self.model, ['r_minor', 'r_ratio', 'length'], [5, 0.25, 50])
411        disp.setParam('n_pts', 10)
412        self.assertAlmostEqual(disp.run(0.001), 711.18048194151925, 3)
413        self.assertAlmostEqual(disp.runXY([0.001,0.001]), 704.63525988095705, 0)
414
415    def test_new_disp(self):
416        from sans.models.dispersion_models import GaussianDispersion
417        disp_rm = GaussianDispersion()
418        self.model.set_dispersion('r_minor', disp_rm)
419        self.model.dispersion['r_minor']['width'] = 5.0
420        self.model.dispersion['r_minor']['npts'] = 10
421        self.model.dispersion['r_minor']['nsigmas'] = 2.5
422
423        disp_rr = GaussianDispersion()
424        self.model.set_dispersion('r_ratio', disp_rr)
425        self.model.dispersion['r_ratio']['width'] = 0.25
426        self.model.dispersion['r_ratio']['npts'] = 10
427        self.model.dispersion['r_ratio']['nsigmas'] = 2.5
428
429        disp_len = GaussianDispersion()
430        self.model.set_dispersion('length', disp_len)
431        self.model.dispersion['length']['width'] = 50.0
432        self.model.dispersion['length']['npts'] = 10
433        self.model.dispersion['length']['nsigmas'] = 2.5
434
435        self.assertAlmostEqual(self.model.run(0.001), 1.23925910*711.18048194151925, 3)
436        self.assertAlmostEqual(self.model.runXY([0.001,0.001]), 1.238955*704.63525988095705, 0)
437       
438
439    def test_array(self):
440        """
441            Perform complete rotational average and
442            compare to 1D
443        """
444        from sans.models.dispersion_models import ArrayDispersion
445        disp_ph = ArrayDispersion()
446        disp_th = ArrayDispersion()
447        disp_ps = ArrayDispersion()
448       
449        values_ph = numpy.zeros(100)
450        values_th = numpy.zeros(100)
451        values_ps = numpy.zeros(100)
452        weights   = numpy.zeros(100)
453        for i in range(100):
454            values_ps[i]=(360/99.0*i)
455            values_ph[i]=(360/99.0*i)
456            values_th[i]=(180/99.0*i)
457            weights[i]=(1.0)
458       
459        disp_ph.set_weights(values_ph, weights)
460        disp_th.set_weights(values_th, weights)
461        disp_ps.set_weights(values_ps, weights)
462       
463        self.model.set_dispersion('cyl_theta', disp_th)
464        self.model.set_dispersion('cyl_phi', disp_ph)
465        self.model.set_dispersion('cyl_psi', disp_ps)
466       
467        val_1d = self.model.run(math.sqrt(0.0002))
468        val_2d = self.model.runXY([0.01,0.01]) 
469       
470        self.assertTrue(math.fabs(val_1d-val_2d)/val_1d < 0.02)
471       
472class TestDispModel(unittest.TestCase):
473    def setUp(self):
474        from sans.models.CylinderModel import CylinderModel
475        self.model = CylinderModel()
476       
477       
478    def test_disp_params(self):
479       
480        self.assertEqual(self.model.dispersion['radius']['width'], 0.0)
481        self.model.setParam('radius.width', 5.0)
482        self.assertEqual(self.model.dispersion['radius']['width'], 5.0)
483        self.assertEqual(self.model.getParam('radius.width'), 5.0)
484        self.assertEqual(self.model.dispersion['radius']['type'], 'gaussian')
485       
486 
487if __name__ == '__main__':
488    unittest.main()
489   
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