def setUp(self): self.invertor = Invertor() self.invertor.d_max = 100.0 # Test array self.ntest = 5 self.x_in = np.arange(1, self.ntest+1, dtype='d')
def setUp(self): self.invertor = Invertor() self.invertor.d_max = 100.0 # Test array self.ntest = 5 self.x_in = numpy.ones(self.ntest) for i in range(self.ntest): self.x_in[i] = 1.0 * (i + 1)
def setUp(self): self.invertor = Invertor() self.invertor.d_max = 100.0 # Test array self.ntest = 5 self.x_in = numpy.ones(self.ntest) for i in range(self.ntest): self.x_in[i] = 1.0*(i+1)
def _fit_pr(self, evt): """ """ # Generate P(r) for sphere radius = 60.0 d_max = 2 * radius r = pylab.arange(0.01, d_max, d_max / 51.0) M = len(r) y = np.zeros(M) pr_err = np.zeros(M) total = 0.0 for j in range(M): value = self.pr_theory(r[j], radius) total += value y[j] = value pr_err[j] = math.sqrt(y[j]) y = y / total * d_max / len(r) # Perform fit pr = Invertor() pr.d_max = d_max pr.alpha = 0 pr.x = r pr.y = y pr.err = pr_err out, cov = pr.pr_fit() for i in range(len(out)): print("%g +- %g" % (out[i], math.sqrt(cov[i][i]))) # Show input P(r) title = "Pr" new_plot = Data1D(pr.x, pr.y, dy=pr.err) new_plot.name = "P_{obs}(r)" new_plot.xaxis("\\rm{r}", 'A') new_plot.yaxis("\\rm{P(r)} ", "cm^{-3}") new_plot.group_id = "P_{obs}(r)" new_plot.id = "P_{obs}(r)" new_plot.title = title self.parent.update_theory(data_id=self.data_id, theory=new_plot) wx.PostEvent(self.parent, NewPlotEvent(plot=new_plot, title=title)) # Show P(r) fit self.show_pr(out, pr) # Show I(q) fit q = pylab.arange(0.001, 0.1, 0.01 / 51.0) self.show_iq(out, pr, q)
class TestFiguresOfMerit(unittest.TestCase): def setUp(self): self.invertor = Invertor() self.invertor.d_max = 100.0 # Test array self.ntest = 5 self.x_in = numpy.ones(self.ntest) for i in range(self.ntest): self.x_in[i] = 1.0*(i+1) x, y, err = load("sphere_80.txt") # Choose the right d_max... self.invertor.d_max = 160.0 # Set a small alpha self.invertor.alpha = .0007 # Set data self.invertor.x = x self.invertor.y = y self.invertor.err = err # Perform inversion #out, cov = self.invertor.invert(10) self.out, self.cov = self.invertor.lstsq(10) def test_positive(self): """ Test whether P(r) is positive """ self.assertEqual(self.invertor.get_positive(self.out), 1) def test_positive_err(self): """ Test whether P(r) is at least 1 sigma greater than zero for all r-values """ self.assertTrue(self.invertor.get_pos_err(self.out, self.cov)>0.9)
def setUp(self): self.invertor = Invertor() self.invertor.d_max = 100.0 # Test array self.ntest = 5 self.x_in = np.arange(1, self.ntest+1, dtype='d') x, y, err = load(find("sphere_80.txt")) # Choose the right d_max... self.invertor.d_max = 160.0 # Set a small alpha self.invertor.alpha = .0007 # Set data self.invertor.x = x self.invertor.y = y self.invertor.err = err # Perform inversion #out, cov = self.invertor.invert(10) self.out, self.cov = self.invertor.lstsq(10)
class TestFiguresOfMerit(unittest.TestCase): def setUp(self): self.invertor = Invertor() self.invertor.d_max = 100.0 # Test array self.ntest = 5 self.x_in = numpy.ones(self.ntest) for i in range(self.ntest): self.x_in[i] = 1.0 * (i + 1) x, y, err = load("sphere_80.txt") # Choose the right d_max... self.invertor.d_max = 160.0 # Set a small alpha self.invertor.alpha = .0007 # Set data self.invertor.x = x self.invertor.y = y self.invertor.err = err # Perform inversion #out, cov = self.invertor.invert(10) self.out, self.cov = self.invertor.lstsq(10) def test_positive(self): """ Test whether P(r) is positive """ self.assertEqual(self.invertor.get_positive(self.out), 1) def test_positive_err(self): """ Test whether P(r) is at least 1 sigma greater than zero for all r-values """ self.assertTrue(self.invertor.get_pos_err(self.out, self.cov) > 0.9)
def setUp(self): self.invertor = Invertor() x, y, err = load(find('sphere_80.txt')) # Choose the right d_max... self.invertor.d_max = 160.0 # Set a small alpha self.invertor.alpha = .0007 # Set data self.invertor.x = x self.invertor.y = y self.invertor.err = err self.invertor.nfunc = 15 self.explo = DistExplorer(self.invertor)
def setUp(self): self.invertor = Invertor() self.invertor.d_max = 100.0 # Test array self.ntest = 5 self.x_in = numpy.ones(self.ntest) for i in range(self.ntest): self.x_in[i] = 1.0 * (i + 1) x, y, err = load("sphere_80.txt") # Choose the right d_max... self.invertor.d_max = 160.0 # Set a small alpha self.invertor.alpha = .0007 # Set data self.invertor.x = x self.invertor.y = y self.invertor.err = err # Perform inversion #out, cov = self.invertor.invert(10) self.out, self.cov = self.invertor.lstsq(10)
def setUp(self): self.invertor = Invertor() self.invertor.d_max = 100.0 # Test array self.ntest = 5 self.x_in = numpy.ones(self.ntest) for i in range(self.ntest): self.x_in[i] = 1.0*(i+1) x, y, err = load("sphere_80.txt") # Choose the right d_max... self.invertor.d_max = 160.0 # Set a small alpha self.invertor.alpha = .0007 # Set data self.invertor.x = x self.invertor.y = y self.invertor.err = err # Perform inversion #out, cov = self.invertor.invert(10) self.out, self.cov = self.invertor.lstsq(10)
class TestErrorConditions(unittest.TestCase): def setUp(self): self.invertor = Invertor() self.invertor.d_max = 100.0 # Test array self.ntest = 5 self.x_in = numpy.ones(self.ntest) for i in range(self.ntest): self.x_in[i] = 1.0*(i+1) def test_negative_errs(self): """ Test an inversion for which we know the answer """ x, y, err = load("data_error_1.txt") # Choose the right d_max... self.invertor.d_max = 160.0 # Set a small alpha self.invertor.alpha = .0007 # Set data self.invertor.x = x self.invertor.y = y self.invertor.err = err # Perform inversion out, cov = self.invertor.lstsq(10) def test_zero_errs(self): """ Have zero as an error should raise an exception """ x, y, err = load("data_error_2.txt") # Set data self.invertor.x = x self.invertor.y = y self.invertor.err = err # Perform inversion self.assertRaises(RuntimeError, self.invertor.invert, 10) def test_invalid(self): """ Test an inversion for which we know the answer """ x, y, err = load("data_error_1.txt") # Set data self.invertor.x = x self.invertor.y = y err = numpy.zeros(len(x)-1) self.invertor.err = err # Perform inversion self.assertRaises(RuntimeError, self.invertor.invert, 10) def test_zero_q(self): """ One of the q-values is zero. An exception should be raised. """ x, y, err = load("data_error_3.txt") # Set data self.assertRaises(ValueError, self.invertor.__setattr__, 'x', x) def test_zero_Iq(self): """ One of the I(q) points has a value of zero Should not complain or crash. """ x, y, err = load("data_error_4.txt") # Set data self.invertor.x = x self.invertor.y = y self.invertor.err = err # Perform inversion out, cov = self.invertor.lstsq(10) def test_negative_q(self): """ One q value is negative. Makes not sense, but should not complain or crash. """ x, y, err = load("data_error_5.txt") # Set data self.invertor.x = x self.invertor.y = y self.invertor.err = err # Perform inversion out, cov = self.invertor.lstsq(10) def test_negative_Iq(self): """ One I(q) value is negative. Makes not sense, but should not complain or crash. """ x, y, err = load("data_error_6.txt") # Set data self.invertor.x = x self.invertor.y = y self.invertor.err = err # Perform inversion out, cov = self.invertor.lstsq(10) def test_nodata(self): """ No data was loaded. Should not complain. """ out, cov = self.invertor.lstsq(10)
class TestBasicComponent(unittest.TestCase): def setUp(self): self.invertor = Invertor() self.invertor.d_max = 100.0 # Test array self.ntest = 5 self.x_in = numpy.ones(self.ntest) for i in range(self.ntest): self.x_in[i] = 1.0 * (i + 1) def test_has_bck_flag(self): """ Tests the has_bck flag operations """ self.assertEqual(self.invertor.has_bck, False) self.invertor.has_bck = True self.assertEqual(self.invertor.has_bck, True) def doit_float(): self.invertor.has_bck = 2.0 def doit_str(): self.invertor.has_bck = 'a' self.assertRaises(ValueError, doit_float) self.assertRaises(ValueError, doit_str) def testset_dmax(self): """ Set and read d_max """ value = 15.0 self.invertor.d_max = value self.assertEqual(self.invertor.d_max, value) def testset_alpha(self): """ Set and read alpha """ value = 15.0 self.invertor.alpha = value self.assertEqual(self.invertor.alpha, value) def testset_x_1(self): """ Setting and reading the x array the hard way """ # Set x self.invertor.x = self.x_in # Read it back npts = self.invertor.get_nx() x_out = numpy.ones(npts) self.invertor.get_x(x_out) for i in range(self.ntest): self.assertEqual(self.x_in[i], x_out[i]) def testset_x_2(self): """ Setting and reading the x array the easy way """ # Set x self.invertor.x = self.x_in # Read it back x_out = self.invertor.x for i in range(self.ntest): self.assertEqual(self.x_in[i], x_out[i]) def testset_y(self): """ Setting and reading the y array the easy way """ # Set y self.invertor.y = self.x_in # Read it back y_out = self.invertor.y for i in range(self.ntest): self.assertEqual(self.x_in[i], y_out[i]) def testset_err(self): """ Setting and reading the err array the easy way """ # Set err self.invertor.err = self.x_in # Read it back err_out = self.invertor.err for i in range(self.ntest): self.assertEqual(self.x_in[i], err_out[i]) def test_iq(self): """ Test iq calculation """ q = 0.11 v1 = 8.0 * math.pi**2 / q * self.invertor.d_max * math.sin( q * self.invertor.d_max) v1 /= (math.pi**2 - (q * self.invertor.d_max)**2.0) pars = numpy.ones(1) self.assertAlmostEqual(self.invertor.iq(pars, q), v1, 2) def test_pr(self): """ Test pr calculation """ r = 10.0 v1 = 2.0 * r * math.sin(math.pi * r / self.invertor.d_max) pars = numpy.ones(1) self.assertAlmostEqual(self.invertor.pr(pars, r), v1, 2) def test_getsetters(self): self.invertor.new_data = 1.0 self.assertEqual(self.invertor.new_data, 1.0) self.assertEqual(self.invertor.test_no_data, None) def test_slitsettings(self): self.invertor.slit_width = 1.0 self.assertEqual(self.invertor.slit_width, 1.0) self.invertor.slit_height = 2.0 self.assertEqual(self.invertor.slit_height, 2.0) def test_inversion(self): """ Test an inversion for which we know the answer """ x, y, err = load("sphere_80.txt") # Choose the right d_max... self.invertor.d_max = 160.0 # Set a small alpha self.invertor.alpha = 1e-7 # Set data self.invertor.x = x self.invertor.y = y self.invertor.err = err # Perform inversion out, cov = self.invertor.invert_optimize(10) #out, cov = self.invertor.invert(10) # This is a very specific case # We should make sure it always passes self.assertTrue(self.invertor.chi2 / len(x) < 200.00) # Check the computed P(r) with the theory # for shpere of radius 80 x = numpy.arange(0.01, self.invertor.d_max, self.invertor.d_max / 51.0) y = numpy.zeros(len(x)) dy = numpy.zeros(len(x)) y_true = numpy.zeros(len(x)) sum = 0.0 sum_true = 0.0 for i in range(len(x)): #y[i] = self.invertor.pr(out, x[i]) (y[i], dy[i]) = self.invertor.pr_err(out, cov, x[i]) sum += y[i] if x[i] < 80.0: y_true[i] = pr_theory(x[i], 80.0) else: y_true[i] = 0 sum_true += y_true[i] y = y / sum * self.invertor.d_max / len(x) dy = dy / sum * self.invertor.d_max / len(x) y_true = y_true / sum_true * self.invertor.d_max / len(x) chi2 = 0.0 for i in range(len(x)): res = (y[i] - y_true[i]) / dy[i] chi2 += res * res try: self.assertTrue(chi2 / 51.0 < 10.0) except: print("chi2 =", chi2 / 51.0) raise def test_lstsq(self): """ Test an inversion for which we know the answer """ x, y, err = load("sphere_80.txt") # Choose the right d_max... self.invertor.d_max = 160.0 # Set a small alpha self.invertor.alpha = .005 # Set data self.invertor.x = x self.invertor.y = y self.invertor.err = err # Perform inversion #out, cov = self.invertor.invert(10) out, cov = self.invertor.lstsq(10) # This is a very specific case # We should make sure it always passes try: self.assertTrue(self.invertor.chi2 / len(x) < 200.00) except: print("Chi2(I(q)) =", self.invertor.chi2 / len(x)) raise # Check the computed P(r) with the theory # for shpere of radius 80 x = numpy.arange(0.01, self.invertor.d_max, self.invertor.d_max / 51.0) y = numpy.zeros(len(x)) dy = numpy.zeros(len(x)) y_true = numpy.zeros(len(x)) sum = 0.0 sum_true = 0.0 for i in range(len(x)): #y[i] = self.invertor.pr(out, x[i]) (y[i], dy[i]) = self.invertor.pr_err(out, cov, x[i]) sum += y[i] if x[i] < 80.0: y_true[i] = pr_theory(x[i], 80.0) else: y_true[i] = 0 sum_true += y_true[i] y = y / sum * self.invertor.d_max / len(x) dy = dy / sum * self.invertor.d_max / len(x) y_true = y_true / sum_true * self.invertor.d_max / len(x) chi2 = 0.0 for i in range(len(x)): res = (y[i] - y_true[i]) / dy[i] chi2 += res * res try: self.assertTrue(chi2 / 51.0 < 50.0) except: print("chi2(P(r)) =", chi2 / 51.0) raise # Test the number of peaks self.assertEqual(self.invertor.get_peaks(out), 1) def test_q_zero(self): """ Test error condition where a point has q=0 """ x, y, err = load("sphere_80.txt") x[0] = 0.0 # Choose the right d_max... self.invertor.d_max = 160.0 # Set a small alpha self.invertor.alpha = 1e-7 # Set data def doit(): self.invertor.x = x self.assertRaises(ValueError, doit) def test_q_neg(self): """ Test error condition where a point has q<0 """ x, y, err = load("sphere_80.txt") x[0] = -0.2 # Choose the right d_max... self.invertor.d_max = 160.0 # Set a small alpha self.invertor.alpha = 1e-7 # Set data self.invertor.x = x self.invertor.y = y self.invertor.err = err # Perform inversion out, cov = self.invertor.invert(4) try: self.assertTrue(self.invertor.chi2 > 0) except: print("Chi2 =", self.invertor.chi2) raise def test_Iq_zero(self): """ Test error condition where a point has q<0 """ x, y, err = load("sphere_80.txt") y[0] = 0.0 # Choose the right d_max... self.invertor.d_max = 160.0 # Set a small alpha self.invertor.alpha = 1e-7 # Set data self.invertor.x = x self.invertor.y = y self.invertor.err = err # Perform inversion out, cov = self.invertor.invert(4) try: self.assertTrue(self.invertor.chi2 > 0) except: print("Chi2 =", self.invertor.chi2) raise def no_test_time(self): x, y, err = load("sphere_80.txt") # Choose the right d_max... self.invertor.d_max = 160.0 # Set a small alpha self.invertor.alpha = 1e-7 # Set data self.invertor.x = x self.invertor.y = y self.invertor.err = err # time scales like nfunc**2 # on a Lenovo Intel Core 2 CPU T7400 @ 2.16GHz, # I get time/(nfunc)**2 = 0.022 sec out, cov = self.invertor.invert(15) t16 = self.invertor.elapsed out, cov = self.invertor.invert(30) t30 = self.invertor.elapsed t30s = t30 / 30.0**2 self.assertTrue((t30s - t16 / 16.0**2) / t30s < 1.2) def test_clone(self): self.invertor.x = self.x_in clone = self.invertor.clone() for i in range(len(self.x_in)): self.assertEqual(self.x_in[i], clone.x[i]) def test_save(self): x, y, err = load("sphere_80.txt") # Choose the right d_max... self.invertor.d_max = 160.0 # Set a small alpha self.invertor.alpha = .0007 # Set data self.invertor.x = x self.invertor.y = y self.invertor.err = err # Perform inversion out, cov = self.invertor.lstsq(10) # Save f_name = "test_output.txt" self.invertor.to_file(f_name) # Load self.invertor.from_file(f_name) self.assertEqual(self.invertor.d_max, 160.0) self.assertEqual(self.invertor.alpha, 0.0007) self.assertEqual(self.invertor.chi2, 836.797) self.assertAlmostEqual(self.invertor.pr(self.invertor.out, 10.0), 903.31577041, 4) if os.path.isfile(f_name): os.remove(f_name) def test_qmin(self): self.invertor.q_min = 1.0 self.assertEqual(self.invertor.q_min, 1.0) self.invertor.q_min = None self.assertEqual(self.invertor.q_min, None) def test_qmax(self): self.invertor.q_max = 1.0 self.assertEqual(self.invertor.q_max, 1.0) self.invertor.q_max = None self.assertEqual(self.invertor.q_max, None)
class TestErrorConditions(unittest.TestCase): def setUp(self): self.invertor = Invertor() self.invertor.d_max = 100.0 # Test array self.ntest = 5 self.x_in = numpy.ones(self.ntest) for i in range(self.ntest): self.x_in[i] = 1.0 * (i + 1) def test_negative_errs(self): """ Test an inversion for which we know the answer """ x, y, err = load("data_error_1.txt") # Choose the right d_max... self.invertor.d_max = 160.0 # Set a small alpha self.invertor.alpha = .0007 # Set data self.invertor.x = x self.invertor.y = y self.invertor.err = err # Perform inversion out, cov = self.invertor.lstsq(10) def test_zero_errs(self): """ Have zero as an error should raise an exception """ x, y, err = load("data_error_2.txt") # Set data self.invertor.x = x self.invertor.y = y self.invertor.err = err # Perform inversion self.assertRaises(RuntimeError, self.invertor.invert, 10) def test_invalid(self): """ Test an inversion for which we know the answer """ x, y, err = load("data_error_1.txt") # Set data self.invertor.x = x self.invertor.y = y err = numpy.zeros(len(x) - 1) self.invertor.err = err # Perform inversion self.assertRaises(RuntimeError, self.invertor.invert, 10) def test_zero_q(self): """ One of the q-values is zero. An exception should be raised. """ x, y, err = load("data_error_3.txt") # Set data self.assertRaises(ValueError, self.invertor.__setattr__, 'x', x) def test_zero_Iq(self): """ One of the I(q) points has a value of zero Should not complain or crash. """ x, y, err = load("data_error_4.txt") # Set data self.invertor.x = x self.invertor.y = y self.invertor.err = err # Perform inversion out, cov = self.invertor.lstsq(10) def test_negative_q(self): """ One q value is negative. Makes not sense, but should not complain or crash. """ x, y, err = load("data_error_5.txt") # Set data self.invertor.x = x self.invertor.y = y self.invertor.err = err # Perform inversion out, cov = self.invertor.lstsq(10) def test_negative_Iq(self): """ One I(q) value is negative. Makes not sense, but should not complain or crash. """ x, y, err = load("data_error_6.txt") # Set data self.invertor.x = x self.invertor.y = y self.invertor.err = err # Perform inversion out, cov = self.invertor.lstsq(10) def test_nodata(self): """ No data was loaded. Should not complain. """ out, cov = self.invertor.lstsq(10)
class TestBasicComponent(unittest.TestCase): def setUp(self): self.invertor = Invertor() self.invertor.d_max = 100.0 # Test array self.ntest = 5 self.x_in = numpy.ones(self.ntest) for i in range(self.ntest): self.x_in[i] = 1.0*(i+1) def test_est_bck_flag(self): """ Tests the est_bck flag operations """ self.assertEqual(self.invertor.est_bck, False) self.invertor.est_bck=True self.assertEqual(self.invertor.est_bck, True) def doit_float(): self.invertor.est_bck = 2.0 def doit_str(): self.invertor.est_bck = 'a' self.assertRaises(ValueError, doit_float) self.assertRaises(ValueError, doit_str) def testset_dmax(self): """ Set and read d_max """ value = 15.0 self.invertor.d_max = value self.assertEqual(self.invertor.d_max, value) def testset_alpha(self): """ Set and read alpha """ value = 15.0 self.invertor.alpha = value self.assertEqual(self.invertor.alpha, value) def testset_x_1(self): """ Setting and reading the x array the hard way """ # Set x self.invertor.x = self.x_in # Read it back npts = self.invertor.get_nx() x_out = numpy.ones(npts) self.invertor.get_x(x_out) for i in range(self.ntest): self.assertEqual(self.x_in[i], x_out[i]) def testset_x_2(self): """ Setting and reading the x array the easy way """ # Set x self.invertor.x = self.x_in # Read it back x_out = self.invertor.x for i in range(self.ntest): self.assertEqual(self.x_in[i], x_out[i]) def testset_y(self): """ Setting and reading the y array the easy way """ # Set y self.invertor.y = self.x_in # Read it back y_out = self.invertor.y for i in range(self.ntest): self.assertEqual(self.x_in[i], y_out[i]) def testset_err(self): """ Setting and reading the err array the easy way """ # Set err self.invertor.err = self.x_in # Read it back err_out = self.invertor.err for i in range(self.ntest): self.assertEqual(self.x_in[i], err_out[i]) def test_iq(self): """ Test iq calculation """ q = 0.11 v1 = 8.0*math.pi**2/q * self.invertor.d_max *math.sin(q*self.invertor.d_max) v1 /= ( math.pi**2 - (q*self.invertor.d_max)**2.0 ) pars = numpy.ones(1) self.assertAlmostEqual(self.invertor.iq(pars, q), v1, 2) def test_pr(self): """ Test pr calculation """ r = 10.0 v1 = 2.0*r*math.sin(math.pi*r/self.invertor.d_max) pars = numpy.ones(1) self.assertAlmostEqual(self.invertor.pr(pars, r), v1, 2) def test_getsetters(self): self.invertor.new_data = 1.0 self.assertEqual(self.invertor.new_data, 1.0) self.assertEqual(self.invertor.test_no_data, None) def test_slitsettings(self): self.invertor.slit_width = 1.0 self.assertEqual(self.invertor.slit_width, 1.0) self.invertor.slit_height = 2.0 self.assertEqual(self.invertor.slit_height, 2.0) def test_inversion(self): """ Test an inversion for which we know the answer """ x, y, err = load("sphere_80.txt") # Choose the right d_max... self.invertor.d_max = 160.0 # Set a small alpha self.invertor.alpha = 1e-7 # Set data self.invertor.x = x self.invertor.y = y self.invertor.err = err # Perform inversion out, cov = self.invertor.invert_optimize(10) #out, cov = self.invertor.invert(10) # This is a very specific case # We should make sure it always passes self.assertTrue(self.invertor.chi2/len(x)<200.00) # Check the computed P(r) with the theory # for shpere of radius 80 x = numpy.arange(0.01, self.invertor.d_max, self.invertor.d_max/51.0) y = numpy.zeros(len(x)) dy = numpy.zeros(len(x)) y_true = numpy.zeros(len(x)) sum = 0.0 sum_true = 0.0 for i in range(len(x)): #y[i] = self.invertor.pr(out, x[i]) (y[i], dy[i]) = self.invertor.pr_err(out, cov, x[i]) sum += y[i] if x[i]<80.0: y_true[i] = pr_theory(x[i], 80.0) else: y_true[i] = 0 sum_true += y_true[i] y = y/sum*self.invertor.d_max/len(x) dy = dy/sum*self.invertor.d_max/len(x) y_true = y_true/sum_true*self.invertor.d_max/len(x) chi2 = 0.0 for i in range(len(x)): res = (y[i]-y_true[i])/dy[i] chi2 += res*res try: self.assertTrue(chi2/51.0<10.0) except: print("chi2 =", chi2/51.0) raise def test_lstsq(self): """ Test an inversion for which we know the answer """ x, y, err = load("sphere_80.txt") # Choose the right d_max... self.invertor.d_max = 160.0 # Set a small alpha self.invertor.alpha = .005 # Set data self.invertor.x = x self.invertor.y = y self.invertor.err = err # Perform inversion #out, cov = self.invertor.invert(10) out, cov = self.invertor.lstsq(10) # This is a very specific case # We should make sure it always passes try: self.assertTrue(self.invertor.chi2/len(x)<200.00) except: print("Chi2(I(q)) =", self.invertor.chi2/len(x)) raise # Check the computed P(r) with the theory # for shpere of radius 80 x = numpy.arange(0.01, self.invertor.d_max, self.invertor.d_max/51.0) y = numpy.zeros(len(x)) dy = numpy.zeros(len(x)) y_true = numpy.zeros(len(x)) sum = 0.0 sum_true = 0.0 for i in range(len(x)): #y[i] = self.invertor.pr(out, x[i]) (y[i], dy[i]) = self.invertor.pr_err(out, cov, x[i]) sum += y[i] if x[i]<80.0: y_true[i] = pr_theory(x[i], 80.0) else: y_true[i] = 0 sum_true += y_true[i] y = y/sum*self.invertor.d_max/len(x) dy = dy/sum*self.invertor.d_max/len(x) y_true = y_true/sum_true*self.invertor.d_max/len(x) chi2 = 0.0 for i in range(len(x)): res = (y[i]-y_true[i])/dy[i] chi2 += res*res try: self.assertTrue(chi2/51.0<50.0) except: print("chi2(P(r)) =", chi2/51.0) raise # Test the number of peaks self.assertEqual(self.invertor.get_peaks(out), 1) def test_q_zero(self): """ Test error condition where a point has q=0 """ x, y, err = load("sphere_80.txt") x[0] = 0.0 # Choose the right d_max... self.invertor.d_max = 160.0 # Set a small alpha self.invertor.alpha = 1e-7 # Set data def doit(): self.invertor.x = x self.assertRaises(ValueError, doit) def test_q_neg(self): """ Test error condition where a point has q<0 """ x, y, err = load("sphere_80.txt") x[0] = -0.2 # Choose the right d_max... self.invertor.d_max = 160.0 # Set a small alpha self.invertor.alpha = 1e-7 # Set data self.invertor.x = x self.invertor.y = y self.invertor.err = err # Perform inversion out, cov = self.invertor.invert(4) try: self.assertTrue(self.invertor.chi2>0) except: print("Chi2 =", self.invertor.chi2) raise def test_Iq_zero(self): """ Test error condition where a point has q<0 """ x, y, err = load("sphere_80.txt") y[0] = 0.0 # Choose the right d_max... self.invertor.d_max = 160.0 # Set a small alpha self.invertor.alpha = 1e-7 # Set data self.invertor.x = x self.invertor.y = y self.invertor.err = err # Perform inversion out, cov = self.invertor.invert(4) try: self.assertTrue(self.invertor.chi2>0) except: print("Chi2 =", self.invertor.chi2) raise def no_test_time(self): x, y, err = load("sphere_80.txt") # Choose the right d_max... self.invertor.d_max = 160.0 # Set a small alpha self.invertor.alpha = 1e-7 # Set data self.invertor.x = x self.invertor.y = y self.invertor.err = err # time scales like nfunc**2 # on a Lenovo Intel Core 2 CPU T7400 @ 2.16GHz, # I get time/(nfunc)**2 = 0.022 sec out, cov = self.invertor.invert(15) t16 = self.invertor.elapsed out, cov = self.invertor.invert(30) t30 = self.invertor.elapsed t30s = t30/30.0**2 self.assertTrue( (t30s-t16/16.0**2)/t30s <1.2 ) def test_clone(self): self.invertor.x = self.x_in clone = self.invertor.clone() for i in range(len(self.x_in)): self.assertEqual(self.x_in[i], clone.x[i]) def test_save(self): x, y, err = load("sphere_80.txt") # Choose the right d_max... self.invertor.d_max = 160.0 # Set a small alpha self.invertor.alpha = .0007 # Set data self.invertor.x = x self.invertor.y = y self.invertor.err = err # Perform inversion out, cov = self.invertor.lstsq(10) # Save f_name = "test_output.txt" self.invertor.to_file(f_name) # Load self.invertor.from_file(f_name) self.assertEqual(self.invertor.d_max, 160.0) self.assertEqual(self.invertor.alpha, 0.0007) self.assertEqual(self.invertor.chi2, 836.797) self.assertAlmostEqual(self.invertor.pr(self.invertor.out, 10.0), 903.31577041, 4) if os.path.isfile(f_name): os.remove(f_name) def test_qmin(self): self.invertor.q_min = 1.0 self.assertEqual(self.invertor.q_min, 1.0) self.invertor.q_min = None self.assertEqual(self.invertor.q_min, None) def test_qmax(self): self.invertor.q_max = 1.0 self.assertEqual(self.invertor.q_max, 1.0) self.invertor.q_max = None self.assertEqual(self.invertor.q_max, None)
if len(toks) > 2: err = float(toks[2]) else: if scale is None: scale = 0.05 * math.sqrt(test_y) #scale = 0.05/math.sqrt(y) min_err = 0.01 * y err = scale * math.sqrt(test_y) + min_err #err = 0 data_x = np.append(data_x, test_x) data_y = np.append(data_y, test_y) data_err = np.append(data_err, err) except: logger.error(sys.exc_value) return data_x, data_y, data_err if __name__ == "__main__": invert = Invertor() x, y, erro = load("test/Cyl_A_D102.txt") invert.d_max = 102.0 invert.nfunc = 10 invert.x = x invert.y = y invert.err = erro # Testing estimator est = NTermEstimator(invert) print(est.num_terms())
def _create_plot_pr(self, estimate=False): """ Create and prepare invertor instance from a plottable data set. :param path: path of the file to read in """ # Sanity check if self.current_plottable is None: msg = "Please load a valid data set before proceeding." wx.PostEvent(self.parent, StatusEvent(status=msg)) return None # Get the data from the chosen data set and perform inversion pr = Invertor() pr.d_max = self.max_length pr.alpha = self.alpha pr.q_min = self.q_min pr.q_max = self.q_max pr.x = self.current_plottable.x pr.y = self.current_plottable.y pr.est_bck = self.est_bck pr.slit_height = self.slit_height pr.slit_width = self.slit_width pr.background = self.bck_val # Keep track of the plot window title to ensure that # we can overlay the plots pr.info["plot_group_id"] = self.current_plottable.group_id # Fill in errors if none were provided err = self.current_plottable.dy all_zeros = True if err is None: err = np.zeros(len(pr.y)) else: for i in range(len(err)): if err[i] > 0: all_zeros = False if all_zeros: scale = None min_err = 0.0 for i in range(len(pr.y)): # Scale the error so that we can fit over several decades of Q if scale is None: scale = 0.05 * math.sqrt(pr.y[i]) min_err = 0.01 * pr.y[i] err[i] = scale * math.sqrt(math.fabs(pr.y[i])) + min_err message = "The loaded file had no error bars, " message += "statistical errors are assumed." wx.PostEvent(self.parent, StatusEvent(status=message)) pr.err = err return pr
def _create_file_pr(self, data): """ Create and prepare invertor instance from a file data set. :param path: path of the file to read in """ # Reset the status bar so that we don't get mixed up # with old messages. #TODO: refactor this into a proper status handling wx.PostEvent(self.parent, StatusEvent(status='')) try: class FileData(object): x = None y = None err = None path = None def __init__(self, path): self.path = path self._current_file_data = FileData(data.path) self._current_file_data.x = data.x self._current_file_data.y = data.y self._current_file_data.err = data.dy x, y, err = data.x, data.y, data.dy except: load_error(sys.exc_value) return None # If the file contains no data, just return if x is None or len(x) == 0: load_error("The loaded file contains no data") return None # If we have not errors, add statistical errors if y is not None: if err is None or np.all(err) == 0: err = np.zeros(len(y)) scale = None min_err = 0.0 for i in range(len(y)): # Scale the error so that we can fit over several decades of Q if scale is None: scale = 0.05 * math.sqrt(y[i]) min_err = 0.01 * y[i] err[i] = scale * math.sqrt(math.fabs(y[i])) + min_err message = "The loaded file had no error bars, " message += "statistical errors are assumed." wx.PostEvent(self.parent, StatusEvent(status=message)) try: # Get the data from the chosen data set and perform inversion pr = Invertor() pr.d_max = self.max_length pr.alpha = self.alpha pr.q_min = self.q_min pr.q_max = self.q_max pr.x = x pr.y = y pr.err = err pr.est_bck = self.est_bck pr.slit_height = self.slit_height pr.slit_width = self.slit_width return pr except: load_error(sys.exc_value) return None