#include "gtest/gtest.h" #include "cantera/numerics/polyfit.h" using namespace Cantera; double polyval(vector_fp& coeffs, double x) { double sum = 0; double xn = 1; for (size_t i = 0; i < coeffs.size(); i++) { sum += coeffs[i] * xn; xn *= x; } return sum; } TEST(Polyfit, exact_fit) { vector_fp x{0, 0.3, 1.0, 1.5, 2.0, 2.5}; vector_fp p(6); vector_fp w(6, -1.0); for (int i = 0; i < 20; i++) { vector_fp y{-1.1*i, cos(i), pow(-1,i), 3.2/(i+1), 0.1*i*i, sin(i)}; polyfit(6, 5, x.data(), y.data(), w.data(), p.data()); for (size_t j = 0; j < 6; j++) { EXPECT_NEAR(polyval(p, x[j]), y[j], 1e-10); } } } TEST(Polyfit, sequential) { vector_fp x{-1.0, 0.0, 0.5, 1.0, 1.5, 2.0, 3.0}; vector_fp y{0.6, 1.0, 0.8, 0.4, -0.1, -0.5, -1}; // Coefficients calculated using Numpy's polyfit function for polynomials // of degrees 0 - 5. std::vector PP{ {0.17142857142857154}, {0.66190476190476177, -0.49047619047619029}, {0.73605442176870761, -0.19387755102040838, -0.14829931972789107}, {1.0095838335334129, -0.22426970788315401, -0.51300520208083311, 0.12156862745098072}, {1.0121336003688943, -0.23102395749454527, -0.51552488317194212, 0.12746543334778632, -0.0014742014742014889}, {0.99812799812799835, -0.093488943488944404, -0.61193011193011071, 0.011452361452361514, 0.10963690963690906, -0.022222222222222105} }; double rms_prev = 1e10; for (size_t i = 0; i < PP.size(); i++) { size_t N = i + 1; vector_fp p(N); double rms = polyfit(7, i, x.data(), y.data(), nullptr, p.data()); EXPECT_LT(rms, rms_prev); rms_prev = rms; for (size_t j = 0; j < N; j++) { EXPECT_NEAR(PP[i][j], p[j], 1e-14); } } } TEST(Polyfit, weighted) { vector_fp x{-1.0, 0.0, 0.5, 1.0, 1.5, 2.0, 3.0}; vector_fp y{0.6, 1.0, 0.8, 0.4, -0.1, -0.5, -1}; vector_fp w{25, 1, 1, 1, 1, 1, 100}; // these are the squares of Numpy's weights // Coefficients calculated using Numpy's polyfit function for polynomials // of degrees 0 - 5. std::vector PP{ {-0.64153846153846139}, {0.24582603619381152, -0.41199065966141246}, {0.64897277949822718, -0.10796777523450461, -0.14749113594542437}, {1.0095165556633916, -0.22435606362053356, -0.51254844673169053, 0.12135217568551074}, {1.0121717322829622, -0.23147507683766383, -0.51492677362711337, 0.12728869689006062, -0.0014837700620763492}, {0.998127784554808, -0.093474983983779111, -0.61196784469972776, 0.011482911646053995, 0.10962944760868476, -0.022222284629403764} }; double rms_prev = 1e10; for (size_t i = 0; i < PP.size(); i++) { size_t N = i + 1; vector_fp p(N); double rms = polyfit(7, i, x.data(), y.data(), w.data(), p.data()); EXPECT_LT(rms, rms_prev); rms_prev = rms; for (size_t j = 0; j < N; j++) { EXPECT_NEAR(PP[i][j], p[j], 1e-14); } } }