""" Unit tests for dispersion functionality of C++ model classes """ import unittest, math, numpy class TestCylinder(unittest.TestCase): """ Testing C++ Cylinder model """ def setUp(self): from sans.models.CylinderModel import CylinderModel self.model= CylinderModel() self.model.setParam('scale', 1.0) self.model.setParam('radius', 20.0) self.model.setParam('length', 400.0) self.model.setParam('contrast', 3.e-6) self.model.setParam('background', 0.0) self.model.setParam('cyl_theta', 0.0) self.model.setParam('cyl_phi', 0.0) def test_simple(self): self.assertAlmostEqual(self.model.run(0.001), 450.355, 3) self.assertAlmostEqual(self.model.runXY([0.001,0.001]), 452.299, 3) def test_constant(self): from sans.models.dispersion_models import DispersionModel disp = DispersionModel() self.model.setParam('scale', 10.0) self.model.set_dispersion('radius', disp) self.model.dispersion['radius']['width'] = 5.0 self.model.dispersion['radius']['npts'] = 100 self.assertAlmostEqual(self.model.run(0.001), 4527.47250339, 3) self.assertAlmostEqual(self.model.runXY([0.001, 0.001]), 4546.997777604715, 3) def test_gaussian(self): from sans.models.dispersion_models import GaussianDispersion disp = GaussianDispersion() self.model.set_dispersion('radius', disp) self.model.dispersion['radius']['width'] = 5.0 self.model.dispersion['radius']['npts'] = 100 self.model.setParam('scale', 10.0) self.assertAlmostEqual(self.model.run(0.001), 4723.32213339, 3) self.assertAlmostEqual(self.model.runXY([0.001,0.001]), 4743.56, 2) def test_clone(self): from sans.models.dispersion_models import GaussianDispersion disp = GaussianDispersion() self.model.set_dispersion('radius', disp) self.model.dispersion['radius']['width'] = 5.0 self.model.dispersion['radius']['npts'] = 100 self.model.setParam('scale', 10.0) new_model = self.model.clone() self.assertAlmostEqual(new_model.run(0.001), 4723.32213339, 3) self.assertAlmostEqual(new_model.runXY([0.001,0.001]), 4743.56, 2) def test_gaussian_zero(self): from sans.models.dispersion_models import GaussianDispersion disp = GaussianDispersion() self.model.set_dispersion('radius', disp) self.model.dispersion['radius']['width'] = 0.0 self.model.dispersion['radius']['npts'] = 100 self.model.setParam('scale', 1.0) self.assertAlmostEqual(self.model.run(0.001), 450.355, 3) self.assertAlmostEqual(self.model.runXY([0.001,0.001]), 452.299, 3) def test_array(self): """ Perform complete rotational average and compare to 1D """ from sans.models.dispersion_models import ArrayDispersion disp_ph = ArrayDispersion() disp_th = ArrayDispersion() values_ph = numpy.zeros(100) values_th = numpy.zeros(100) weights = numpy.zeros(100) for i in range(100): values_ph[i]=(2.0*math.pi/99.0*i) values_th[i]=(math.pi/99.0*i) weights[i]=(1.0) disp_ph.set_weights(values_ph, weights) disp_th.set_weights(values_th, weights) self.model.set_dispersion('cyl_theta', disp_th) self.model.set_dispersion('cyl_phi', disp_ph) val_1d = self.model.run(math.sqrt(0.0002)) val_2d = self.model.runXY([0.01,0.01]) self.assertTrue(math.fabs(val_1d-val_2d)/val_1d < 0.02) class TestCoreShellCylinder(unittest.TestCase): """ Testing C++ Cylinder model """ def setUp(self): from sans.models.CoreShellCylinderModel import CoreShellCylinderModel self.model= CoreShellCylinderModel() self.model.setParam('scale', 1.0) self.model.setParam('radius', 20.0) self.model.setParam('thickness', 10.0) self.model.setParam('length', 400.0) self.model.setParam('core_sld', 1.e-6) self.model.setParam('shell_sld', 4.e-6) self.model.setParam('solvent_sld', 1.e-6) self.model.setParam('background', 0.0) self.model.setParam('axis_theta', 0.0) self.model.setParam('axis_phi', 0.0) def test_simple(self): """ Test simple 1D and 2D values Numbers taken from model that passed validation, before the update to C++ underlying class. """ self.assertAlmostEqual(self.model.run(0.001), 353.55013216754583, 3) self.assertAlmostEqual(self.model.runXY([0.001,0.001]), 355.25355270620543, 3) def test_dispersion(self): """ Test with dispersion """ from sans.models.DisperseModel import DisperseModel disp = DisperseModel(self.model, ['radius', 'thickness', 'length'], [5, 2, 50]) disp.setParam('n_pts', 10) self.assertAlmostEqual(disp.run(0.001), 358.44062724936009, 3) self.assertAlmostEqual(disp.runXY([0.001,0.001]), 360.22673635224584, 3) def test_new_disp(self): from sans.models.dispersion_models import GaussianDispersion disp_rm = GaussianDispersion() self.model.set_dispersion('radius', disp_rm) self.model.dispersion['radius']['width'] = 5.0 self.model.dispersion['radius']['npts'] = 10 disp_rr = GaussianDispersion() self.model.set_dispersion('thickness', disp_rr) self.model.dispersion['thickness']['width'] = 2. self.model.dispersion['thickness']['npts'] = 10 disp_len = GaussianDispersion() self.model.set_dispersion('length', disp_len) self.model.dispersion['length']['width'] = 50.0 self.model.dispersion['length']['npts'] = 10 self.assertAlmostEqual(self.model.run(0.001), 358.44062724936009, 3) self.assertAlmostEqual(self.model.runXY([0.001,0.001]), 360.22673635224584, 3) def test_array(self): """ Perform complete rotational average and compare to 1D """ from sans.models.dispersion_models import ArrayDispersion disp_ph = ArrayDispersion() disp_th = ArrayDispersion() values_ph = numpy.zeros(100) values_th = numpy.zeros(100) weights = numpy.zeros(100) for i in range(100): values_ph[i]=(2.0*math.pi/99.0*i) values_th[i]=(math.pi/99.0*i) weights[i]=(1.0) disp_ph.set_weights(values_ph, weights) disp_th.set_weights(values_th, weights) self.model.set_dispersion('axis_theta', disp_th) self.model.set_dispersion('axis_phi', disp_ph) val_1d = self.model.run(math.sqrt(0.0002)) val_2d = self.model.runXY([0.01,0.01]) self.assertTrue(math.fabs(val_1d-val_2d)/val_1d < 0.02) class TestCoreShell(unittest.TestCase): """ Testing C++ Cylinder model """ def setUp(self): from sans.models.CoreShellModel import CoreShellModel self.model= CoreShellModel() self.model.setParam('scale', 1.0) self.model.setParam('radius', 60.0) self.model.setParam('thickness', 10.0) self.model.setParam('core_sld', 1.e-6) self.model.setParam('shell_sld', 2.e-6) self.model.setParam('solvent_sld', 3.e-6) self.model.setParam('background', 0.0) def test_simple(self): """ Test simple 1D and 2D values Numbers taken from model that passed validation, before the update to C++ underlying class. """ self.assertAlmostEqual(self.model.run(0.001), 381.27304697150055, 3) self.assertAlmostEqual(self.model.runXY([0.001,0.001]), 380.93779156218682, 3) def test_dispersion(self): """ Test with dispersion """ from sans.models.DisperseModel import DisperseModel disp = DisperseModel(self.model, ['radius', 'thickness'], [10, 2]) disp.setParam('n_pts', 10) self.assertAlmostEqual(disp.run(0.001), 407.344127907553, 3) def test_new_disp(self): from sans.models.dispersion_models import GaussianDispersion disp_rm = GaussianDispersion() self.model.set_dispersion('radius', disp_rm) self.model.dispersion['radius']['width'] = 10. self.model.dispersion['radius']['npts'] = 10 disp_rr = GaussianDispersion() self.model.set_dispersion('thickness', disp_rr) self.model.dispersion['thickness']['width'] = 2. self.model.dispersion['thickness']['npts'] = 10 self.assertAlmostEqual(self.model.run(0.001), 407.344127907553, 3) class TestEllipsoid(unittest.TestCase): """ Testing C++ Cylinder model """ def setUp(self): from sans.models.EllipsoidModel import EllipsoidModel self.model= EllipsoidModel() self.model.setParam('scale', 1.0) self.model.setParam('radius_a', 20.0) self.model.setParam('radius_b', 400.0) self.model.setParam('contrast', 3.e-6) self.model.setParam('background', 0.0) self.model.setParam('axis_theta', 1.57) self.model.setParam('axis_phi', 0.0) def test_simple(self): """ Test simple 1D and 2D values Numbers taken from model that passed validation, before the update to C++ underlying class. """ self.assertAlmostEqual(self.model.run(0.001), 11808.842896863147, 3) self.assertAlmostEqual(self.model.runXY([0.001,0.001]), 11681.990374929677, 3) def test_dispersion(self): """ Test with dispersion """ from sans.models.DisperseModel import DisperseModel disp = DisperseModel(self.model, ['radius_a', 'radius_b'], [5, 50]) disp.setParam('n_pts', 10) self.assertAlmostEqual(disp.run(0.001), 11948.72581312305, 3) self.assertAlmostEqual(disp.runXY([0.001,0.001]), 11811.972359807551, 3) def test_new_disp(self): from sans.models.dispersion_models import GaussianDispersion disp_rm = GaussianDispersion() self.model.set_dispersion('radius_a', disp_rm) self.model.dispersion['radius_a']['width'] = 5.0 self.model.dispersion['radius_a']['npts'] = 10 disp_rr = GaussianDispersion() self.model.set_dispersion('radius_b', disp_rr) self.model.dispersion['radius_b']['width'] = 50. self.model.dispersion['radius_b']['npts'] = 10 self.assertAlmostEqual(self.model.run(0.001), 11948.72581312305, 3) self.assertAlmostEqual(self.model.runXY([0.001,0.001]), 11811.972359807551, 3) def test_array(self): """ Perform complete rotational average and compare to 1D """ from sans.models.dispersion_models import ArrayDispersion disp_ph = ArrayDispersion() disp_th = ArrayDispersion() values_ph = numpy.zeros(100) values_th = numpy.zeros(100) weights = numpy.zeros(100) for i in range(100): values_ph[i]=(2.0*math.pi/99.0*i) values_th[i]=(math.pi/99.0*i) weights[i]=(1.0) disp_ph.set_weights(values_ph, weights) disp_th.set_weights(values_th, weights) self.model.set_dispersion('axis_theta', disp_th) self.model.set_dispersion('axis_phi', disp_ph) val_1d = self.model.run(math.sqrt(0.0002)) val_2d = self.model.runXY([0.01,0.01]) self.assertTrue(math.fabs(val_1d-val_2d)/val_1d < 0.02) class TestSphere(unittest.TestCase): """ Testing C++ Cylinder model """ def setUp(self): from sans.models.SphereModel import SphereModel self.model= SphereModel() self.model.setParam('scale', 1.0) self.model.setParam('radius', 60.0) self.model.setParam('contrast', 1) self.model.setParam('background', 0.0) def test_simple(self): """ Test simple 1D and 2D values Numbers taken from model that passed validation, before the update to C++ underlying class. """ self.assertAlmostEqual(self.model.run(0.001), 90412744456148.094, 3) self.assertAlmostEqual(self.model.runXY([0.001,0.001]), 90347660670656.391, 3) def test_dispersion(self): """ Test with dispersion """ from sans.models.DisperseModel import DisperseModel disp = DisperseModel(self.model, ['radius'], [10]) disp.setParam('n_pts', 10) self.assertAlmostEqual(disp.run(0.001), 96795008379475.25, 3) def test_new_disp(self): from sans.models.dispersion_models import GaussianDispersion disp_rm = GaussianDispersion() self.model.set_dispersion('radius', disp_rm) self.model.dispersion['radius']['width'] = 10.0 self.model.dispersion['radius']['npts'] = 10 self.assertAlmostEqual(self.model.run(0.001), 96795008379475.25, 3) class TestEllipticalCylinder(unittest.TestCase): """ Testing C++ Cylinder model """ def setUp(self): from sans.models.EllipticalCylinderModel import EllipticalCylinderModel self.model= EllipticalCylinderModel() self.model.setParam('scale', 1.0) self.model.setParam('r_minor', 20.0) self.model.setParam('r_ratio', 1.5) self.model.setParam('length', 400.0) self.model.setParam('contrast', 3.e-6) self.model.setParam('background', 0.0) self.model.setParam('cyl_theta', 1.57) self.model.setParam('cyl_phi', 0.0) self.model.setParam('cyl_psi', 0.0) def test_simple(self): """ Test simple 1D and 2D values Numbers taken from model that passed validation, before the update to C++ underlying class. """ self.assertAlmostEqual(self.model.run(0.001), 675.50440232504991, 3) self.assertAlmostEqual(self.model.runXY([0.001,0.001]), 669.5173937622792, 3) def test_dispersion(self): """ Test with dispersion """ from sans.models.DisperseModel import DisperseModel disp = DisperseModel(self.model, ['r_minor', 'r_ratio', 'length'], [5, 0.25, 50]) disp.setParam('n_pts', 10) self.assertAlmostEqual(disp.run(0.001), 711.18048194151925, 3) self.assertAlmostEqual(disp.runXY([0.001,0.001]), 704.63525988095705, 3) def test_new_disp(self): from sans.models.dispersion_models import GaussianDispersion disp_rm = GaussianDispersion() self.model.set_dispersion('r_minor', disp_rm) self.model.dispersion['r_minor']['width'] = 5.0 self.model.dispersion['r_minor']['npts'] = 10 disp_rr = GaussianDispersion() self.model.set_dispersion('r_ratio', disp_rr) self.model.dispersion['r_ratio']['width'] = 0.25 self.model.dispersion['r_ratio']['npts'] = 10 disp_len = GaussianDispersion() self.model.set_dispersion('length', disp_len) self.model.dispersion['length']['width'] = 50.0 self.model.dispersion['length']['npts'] = 10 self.assertAlmostEqual(self.model.run(0.001), 711.18048194151925, 3) self.assertAlmostEqual(self.model.runXY([0.001,0.001]), 704.63525988095705, 3) def test_array(self): """ Perform complete rotational average and compare to 1D """ from sans.models.dispersion_models import ArrayDispersion disp_ph = ArrayDispersion() disp_th = ArrayDispersion() disp_ps = ArrayDispersion() values_ph = numpy.zeros(100) values_th = numpy.zeros(100) values_ps = numpy.zeros(100) weights = numpy.zeros(100) for i in range(100): values_ps[i]=(2.0*math.pi/99.0*i) values_ph[i]=(2.0*math.pi/99.0*i) values_th[i]=(math.pi/99.0*i) weights[i]=(1.0) disp_ph.set_weights(values_ph, weights) disp_th.set_weights(values_th, weights) disp_ps.set_weights(values_ps, weights) self.model.set_dispersion('cyl_theta', disp_th) self.model.set_dispersion('cyl_phi', disp_ph) self.model.set_dispersion('cyl_psi', disp_ps) val_1d = self.model.run(math.sqrt(0.0002)) val_2d = self.model.runXY([0.01,0.01]) self.assertTrue(math.fabs(val_1d-val_2d)/val_1d < 0.02) class TestDispModel(unittest.TestCase): def setUp(self): from sans.models.CylinderModel import CylinderModel self.model = CylinderModel() def test_disp_params(self): self.assertEqual(self.model.dispersion['radius']['width'], 0.0) self.model.setParam('radius.width', 5.0) self.assertEqual(self.model.dispersion['radius']['width'], 5.0) self.assertEqual(self.model.getParam('radius.width'), 5.0) self.assertEqual(self.model.dispersion['radius']['type'], 'gaussian') if __name__ == '__main__': unittest.main()