static PyObject * py_niggli_reduce(PyObject *self, PyObject *args)
{
PyArrayObject* lattice;
double eps;
if (!PyArg_ParseTuple(args, "Od", &lattice, &eps)) {
return NULL;
}
double *lat = (double(*))PyArray_DATA(lattice);
int result = niggli_reduce(lat, eps);
return PyLong_FromLong((long) result);
}
/* Return 0 if failed */
static int change_basis_tricli(int int_transform_mat[3][3],
SPGCONST double conv_lattice[3][3],
SPGCONST double primitive_lattice[3][3],
const double symprec)
{
int i, j;
double niggli_cell[9];
double smallest_lattice[3][3], inv_lattice[3][3], transform_mat[3][3];
for (i = 0; i < 3; i++) {
for (j = 0; j < 3; j++) {
niggli_cell[i * 3 + j] = conv_lattice[i][j];
}
}
if (! niggli_reduce(niggli_cell, symprec * symprec)) {
return 0;
}
for (i = 0; i < 3; i++) {
for (j = 0; j < 3; j++) {
smallest_lattice[i][j] = niggli_cell[i * 3 + j];
}
}
if (mat_get_determinant_d3(smallest_lattice) < 0) {
for (i = 0; i < 3; i++) {
for (j = 0; j < 3; j++) {
smallest_lattice[i][j] = -smallest_lattice[i][j];
}
}
}
mat_inverse_matrix_d3(inv_lattice, primitive_lattice, 0);
mat_multiply_matrix_d3(transform_mat, inv_lattice, smallest_lattice);
mat_cast_matrix_3d_to_3i(int_transform_mat, transform_mat);
return 1;
}
