Add regression test for Aluminum model

Author: ahojukka5

apps/aluminumNew/aluminumTest.cpp

@@ -0,0 +1,102 @@
+#include "Aluminum.hpp"
+#include "SeedGridFCC.hpp"
+#include <catch2/catch_test_macros.hpp>
+#include <catch2/matchers/catch_matchers_floating_point.hpp>
+#include <openpfc/openpfc.hpp>
+
+using namespace pfc;
+using namespace Catch::Matchers;
+
+/* Parameters from aluminumNew.json:
+{
+    "n0": -0.0060,
+    "alpha": 0.20,
+    "n_sol": -0.036,
+    "n_vap": -1.297,
+    "T_const": 980,
+    "T_min": 780,
+    "T_max": 1280,
+    "T0": 89285.0,
+    "Bx": 0.817900686921996,
+    "G_grid": 0,
+    "V_grid": 0,
+    "x_initial": 130,
+    "alpha_farTol": 0.001,
+    "alpha_highOrd": 0,
+    "lambda": 0.22,
+    "stabP": 0.0,
+    "shift_u": 1.0,
+    "shift_s": 0.0,
+    "p2_bar": 0.8286531831,
+    "p3_bar": -0.04204863,
+    "p4_bar": 0.007533,
+    "q20_bar": 0.016531729105214,
+    "q21_bar": 5.467,
+    "q30_bar": 1.7152418049986,
+    "q31_bar": 0.45,
+    "q40_bar": 0.787482
+}
+*/
+
+TEST_CASE("Aluminum functionality", "[Aluminum]") {
+  SECTION("Step model and calculate norm of the result") {
+    MPI_Worker worker(0, nullptr);
+    World world({32, 32, 32});
+    Decomposition decomp(world);
+    FFT fft(decomp);
+
+    Aluminum aluminum;
+    aluminum.set_n0(-0.0060);
+    aluminum.set_alpha(0.20);
+    aluminum.set_n_sol(-0.036);
+    aluminum.set_n_vap(-1.297);
+    aluminum.set_T_const(980);
+    aluminum.set_T_min(780);
+    aluminum.set_T_max(1280);
+    aluminum.set_T0(89285.0);
+    aluminum.set_Bx(0.817900686921996);
+    aluminum.set_G_grid(0);
+    aluminum.set_V_grid(0);
+    aluminum.set_x_initial(130);
+    aluminum.set_alpha_farTol(0.001);
+    aluminum.set_alpha_highOrd(0);
+    aluminum.set_lambda(0.22);
+    aluminum.set_stabP(0.0);
+    aluminum.set_shift_u(1.0);
+    aluminum.set_shift_s(0.0);
+    aluminum.set_p2_bar(0.8286531831);
+    aluminum.set_p3_bar(-0.04204863);
+    aluminum.set_p4_bar(0.007533);
+    aluminum.set_q20_bar(0.016531729105214);
+    aluminum.set_q21_bar(5.467);
+    aluminum.set_q30_bar(1.7152418049986);
+    aluminum.set_q31_bar(0.45);
+    aluminum.set_q40_bar(0.787482);
+    aluminum.set_fft(fft);
+    double dt = 1.0e-2;
+    aluminum.initialize(dt);
+
+    SeedGridFCC ic;
+    ic.set_Nx(1);
+    ic.set_Ny(2);
+    ic.set_Nz(2);
+    ic.set_X0(8.0);
+    ic.set_radius(4.0);
+    ic.set_amplitude(0.4);
+    ic.set_rho(-0.036);
+    ic.set_rseed(42);
+
+    std::vector<double> &psi = aluminum.get_real_field("psi");
+    std::fill(psi.begin(), psi.end(), -0.0060);
+    ic.apply(aluminum, 0.0);
+
+    std::array<double, 5> expected_norms{1297.08, 1250.21, 1209.28, 1173.19, 1141.09};
+    for (int i = 0; i < 5; ++i) {
+      double norm2 = 0.0;
+      for (auto &x : psi) norm2 += x * x;
+      std::cout << "norm: " << norm2 << std::endl;
+      REQUIRE_THAT(norm2, WithinAbs(expected_norms[i], 0.1));
+      aluminum.step(1.0);
+    }
+  }
+}