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#include <cmath>
#include <cstdlib>
#include <gtest/gtest.h>
extern "C" {
#include "debug.h"
#include "delaunay.h"
#include "mathfunc.h"
#include "utils.h"
}
TEST(Delaunay, Delaunay_reduce_layer) {
double min_lattice[3][3];
// Unimodular matrix
double lattice[3][3] = {
{1, 0, 0},
{0, 37, 10},
{0, 11, 3},
};
int const aperiodic_axis = 0;
double const symprec = 1e-5;
del_layer_delaunay_reduce(min_lattice, lattice, aperiodic_axis, symprec);
// Shortest vectors in the periodic plane are [0, 1, 0] and [0, 0, 1]
for (int i = 0; i < 3; ++i) {
double sum = fabs(min_lattice[0][i]) + fabs(min_lattice[1][i]) +
fabs(min_lattice[2][i]);
EXPECT_FLOAT_EQ(sum, 1);
}
}
TEST(Delaunay, Delaunay_reduce) {
double min_lattice[3][3];
double lattice[3][3] = {
{-2.2204639179669590, -4.4409278359339179, 179.8575773553236843},
{1.2819854407640749, 0.0, 103.8408207018900669},
{10.5158083946732219, 0.0, 883.3279051525505565},
};
double inv_lat[3][3], tmat[3][3], metric[3][3];
int int_tmat[3][3];
auto setenv_result = setenv("SPGLIB_NUM_ATTEMPTS", "100", 1);
ASSERT_EQ(setenv_result, 0);
double const symprec = 1e-5;
int succeeded = del_delaunay_reduce(min_lattice, lattice, symprec);
// Default get_num_attempts() == 1000 --> succeeded == 1.
// With get_num_attempts() == 100 --> succeeded == 0.
EXPECT_EQ(succeeded, 0);
setenv_result = setenv("SPGLIB_NUM_ATTEMPTS", "1000", 1);
ASSERT_EQ(setenv_result, 0);
succeeded = del_delaunay_reduce(min_lattice, lattice, symprec);
EXPECT_EQ(succeeded, 1);
mat_get_metric(metric, min_lattice);
if (HasFailure()) {
printf("min_lattice\n");
show_matrix_3d(min_lattice);
printf("tmat\n");
show_matrix_3d(tmat);
printf("metric tensor\n");
show_matrix_3d(metric);
return;
}
mat_inverse_matrix_d3(inv_lat, lattice, symprec);
mat_multiply_matrix_d3(tmat, inv_lat, min_lattice);
mat_cast_matrix_3d_to_3i(int_tmat, tmat);
// tmat must be almost integers.
for (int i = 0; i < 3; ++i) {
for (int j = 0; j < 3; ++j) {
EXPECT_NEAR(int_tmat[i][j], tmat[i][j], 1e-8);
}
}
EXPECT_FLOAT_EQ(metric[0][0] + metric[1][1] + metric[2][2], 156.599853);
}
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