static void get_conventional_lattice(double lattice[3][3],
SPGCONST Spacegroup *spacegroup)
{
int i, j;
double metric[3][3];
Pointgroup pointgroup;
pointgroup = ptg_get_pointgroup(spacegroup->pointgroup_number);
for (i = 0; i < 3; i++) {
for (j = 0; j < 3; j++) {
lattice[i][j] = 0;
}
}
mat_get_metric(metric, spacegroup->bravais_lattice);
debug_print("bravais lattice\n");
debug_print_matrix_d3(spacegroup->bravais_lattice);
debug_print("%s\n", spacegroup->setting);
switch (pointgroup.holohedry) {
case TRICLI:
set_tricli(lattice, metric);
break;
case MONOCLI: /* b-axis is the unique axis. */
set_monocli(lattice, metric);
break;
case ORTHO:
set_ortho(lattice, metric);
break;
case TETRA:
set_tetra(lattice, metric);
break;
case TRIGO:
if (spacegroup->setting[0] == 'R') {
set_rhomb(lattice, metric);
} else {
set_trigo(lattice, metric);
}
break;
case HEXA:
set_trigo(lattice, metric);
break;
case CUBIC:
set_cubic(lattice, metric);
break;
case HOLOHEDRY_NONE:
break;
}
}
static int get_conventional_lattice(double lattice[3][3],
const Holohedry holohedry,
SPGCONST double bravais_lattice[3][3])
{
int i, j;
double metric[3][3];
for (i = 0; i < 3; i++) {
for (j = 0; j < 3; j++) {
lattice[i][j] = 0;
}
}
mat_get_metric(metric, bravais_lattice);
switch (holohedry) {
case TRICLI:
mat_copy_matrix_d3(lattice, bravais_lattice);
break;
case MONOCLI: /* b-axis is the unique axis. */
set_monocli(lattice, metric);
break;
case ORTHO:
set_ortho(lattice, metric);
break;
case TETRA:
set_tetra(lattice, metric);
break;
case RHOMB:
set_rhomb(lattice, metric);
break;
case TRIGO:
set_trigo(lattice, metric);
break;
case HEXA:
set_trigo(lattice, metric);
break;
case CUBIC:
set_cubic(lattice, metric);
break;
case NONE:
break;
}
return 1;
}