import numpy as np import pytest import scipy as sp from scipy.stats import shapiro import openmc import openmc.lib def test_t_percentile(): # Permutations include 1 DoF, 2 DoF, and > 2 DoF # We will test 5 p-values at 3-DoF values test_ps = [0.02, 0.4, 0.5, 0.6, 0.98] test_dfs = [1, 2, 5] # The reference solutions come from Scipy ref_ts = [[sp.stats.t.ppf(p, df) for p in test_ps] for df in test_dfs] test_ts = [[openmc.lib.math.t_percentile(p, df) for p in test_ps] for df in test_dfs] # The 5 DoF approximation in openmc.lib.math.t_percentile is off by up to # 8e-3 from the scipy solution, so test that one separately with looser # tolerance assert np.allclose(ref_ts[:-1], test_ts[:-1]) assert np.allclose(ref_ts[-1], test_ts[-1], atol=1e-2) def test_calc_pn(): max_order = 10 test_xs = np.linspace(-1., 1., num=5, endpoint=True) # Reference solutions from scipy ref_vals = np.array([sp.special.eval_legendre(n, test_xs) for n in range(0, max_order + 1)]) test_vals = [] for x in test_xs: test_vals.append(openmc.lib.math.calc_pn(max_order, x).tolist()) test_vals = np.swapaxes(np.array(test_vals), 0, 1) assert np.allclose(ref_vals, test_vals) def test_evaluate_legendre(): max_order = 10 # Coefficients are set to 1, but will incorporate the (2l+1)/2 norm factor # for the reference solution test_coeffs = [0.5 * (2. * l + 1.) for l in range(max_order + 1)] test_xs = np.linspace(-1., 1., num=5, endpoint=True) ref_vals = np.polynomial.legendre.legval(test_xs, test_coeffs) # Set the coefficients back to 1s for the test values since # evaluate legendre incorporates the (2l+1)/2 term on its own test_coeffs = [1. for l in range(max_order + 1)] test_vals = np.array([openmc.lib.math.evaluate_legendre(test_coeffs, x) for x in test_xs]) assert np.allclose(ref_vals, test_vals) def test_calc_rn(): max_order = 10 test_ns = np.array([i for i in range(0, max_order + 1)]) azi = 0.1 # Longitude pol = 0.2 # Latitude test_uvw = np.array([np.sin(pol) * np.cos(azi), np.sin(pol) * np.sin(azi), np.cos(pol)]) # Reference solutions from the equations ref_vals = [] def coeff(n, m): return np.sqrt((2. * n + 1) * sp.special.factorial(n - m) / (sp.special.factorial(n + m))) def pnm_bar(n, m, mu): val = coeff(n, m) if m != 0: val *= np.sqrt(2.) val *= sp.special.lpmv([m], [n], [mu]) return val[0] ref_vals = [] for n in test_ns: for m in range(-n, n + 1): if m < 0: ylm = pnm_bar(n, np.abs(m), np.cos(pol)) * \ np.sin(np.abs(m) * azi) else: ylm = pnm_bar(n, m, np.cos(pol)) * np.cos(m * azi) # Un-normalize for comparison ylm /= np.sqrt(2. * n + 1.) ref_vals.append(ylm) test_vals = [] test_vals = openmc.lib.math.calc_rn(max_order, test_uvw) assert np.allclose(ref_vals, test_vals) def test_calc_zn(): n = 10 rho = 0.5 phi = 0.5 # Reference solution from running the C++ implementation ref_vals = np.array([ 1.00000000e+00, 2.39712769e-01, 4.38791281e-01, 2.10367746e-01, -5.00000000e-01, 1.35075576e-01, 1.24686873e-01, -2.99640962e-01, -5.48489101e-01, 8.84215021e-03, 5.68310892e-02, -4.20735492e-01, -1.25000000e-01, -2.70151153e-01, -2.60091773e-02, 1.87022545e-02, -3.42888902e-01, 1.49820481e-01, 2.74244551e-01, -2.43159131e-02, -2.50357380e-02, 2.20500013e-03, -1.98908812e-01, 4.07587508e-01, 4.37500000e-01, 2.61708929e-01, 9.10321205e-02, -1.54686328e-02, -2.74049397e-03, -7.94845816e-02, 4.75368705e-01, 7.11647284e-02, 1.30266162e-01, 3.37106977e-02, 1.06401886e-01, -7.31606787e-03, -2.95625975e-03, -1.10250006e-02, 3.55194307e-01, -1.44627826e-01, -2.89062500e-01, -9.28644588e-02, -1.62557358e-01, 7.73431638e-02, -2.55329539e-03, -1.90923851e-03, 1.57578403e-02, 1.72995854e-01, -3.66267690e-01, -1.81657333e-01, -3.32521518e-01, -2.59738162e-02, -2.31580576e-01, 4.20673902e-02, -4.11710546e-04, -9.36449487e-04, 1.92156884e-02, 2.82515641e-02, -3.90713738e-01, -1.69280296e-01, -8.98437500e-02, -1.08693628e-01, 1.78813094e-01, -1.98191857e-01, 1.65964201e-02, 2.77013853e-04]) test_vals = openmc.lib.math.calc_zn(n, rho, phi) assert np.allclose(ref_vals, test_vals) def test_calc_zn_rad(): n = 10 rho = 0.5 # Reference solution from running the C++ implementation ref_vals = np.array([ 1.00000000e+00, -5.00000000e-01, -1.25000000e-01, 4.37500000e-01, -2.89062500e-01,-8.98437500e-02]) test_vals = openmc.lib.math.calc_zn_rad(n, rho) assert np.allclose(ref_vals, test_vals) def test_rotate_angle(): uvw0 = np.array([1., 0., 0.]) phi = 0. mu = 0. # reference: mu of 0 pulls the vector the bottom, so: ref_uvw = np.array([0., 0., -1.]) test_uvw = openmc.lib.math.rotate_angle(uvw0, mu, phi) assert np.array_equal(ref_uvw, test_uvw) # Repeat for mu = 1 (no change) mu = 1. ref_uvw = np.array([1., 0., 0.]) test_uvw = openmc.lib.math.rotate_angle(uvw0, mu, phi) assert np.array_equal(ref_uvw, test_uvw) # Now to test phi is None mu = 0.9 phi = None prn_seed = 1 # When seed = 1, phi will be sampled as 1.9116495709698769 # The resultant reference is from hand-calculations given the above ref_uvw = [0.9, -0.422746750548505, 0.10623175090659095] test_uvw = openmc.lib.math.rotate_angle(uvw0, mu, phi, prn_seed) assert np.allclose(ref_uvw, test_uvw) def test_maxwell_spectrum(): prn_seed = 1 T = 0.5 ref_val = 0.27767406743161277 test_val = openmc.lib.math.maxwell_spectrum(T, prn_seed) assert ref_val == test_val def test_watt_spectrum(): prn_seed = 1 a = 0.5 b = 0.75 ref_val = 0.30957476387766697 test_val = openmc.lib.math.watt_spectrum(a, b, prn_seed) assert ref_val == test_val def test_normal_dist(): # When standard deviation is zero, sampled value should be mean prn_seed = 1 mean = 14.08 stdev = 0.0 ref_val = 14.08 test_val = openmc.lib.math.normal_variate(mean, stdev, prn_seed) assert ref_val == pytest.approx(test_val) # Use Shapiro-Wilk test to ensure normality of sampled vairates stdev = 1.0 samples = [] num_samples = 10000 for _ in range(num_samples): # sample the normal distribution from openmc samples.append(openmc.lib.math.normal_variate(mean, stdev, prn_seed)) prn_seed += 1 stat, p = shapiro(samples) assert p > 0.05 def test_broaden_wmp_polynomials(): # Two branches of the code to worry about, beta > 6 and otherwise # beta = sqrtE * dopp # First lets do beta > 6 test_E = 0.5 test_dopp = 100. # approximately U235 at room temperature n = 6 ref_val = [2., 1.41421356, 1.0001, 0.70731891, 0.50030001, 0.353907] test_val = openmc.lib.math.broaden_wmp_polynomials(test_E, test_dopp, n) assert np.allclose(ref_val, test_val) # now beta < 6 test_dopp = 5. ref_val = [1.99999885, 1.41421356, 1.04, 0.79195959, 0.6224, 0.50346003] test_val = openmc.lib.math.broaden_wmp_polynomials(test_E, test_dopp, n) assert np.allclose(ref_val, test_val)