static int
ref_nonsingle(struct saucy *s, struct coloring *c,
const int *adj, const int *edg, int cf)
{
int i, j, k, ret;
const int cb = cf + c->clen[cf];
const int size = cb - cf + 1;
/* Double check for nonsingles which became singles later */
if (cf == cb) {
return ref_singleton(s, c, adj, edg, cf);
}
/* Establish connected list */
memcpy(s->junk, c->lab + cf, size * sizeof(int));
for (i = 0; i < size; ++i) {
k = s->junk[i];
for (j = adj[k]; j != adj[k+1]; ++j) {
data_count(s, c, edg[j]);
}
}
/* Refine the cells we're connected to */
ret = refine_cell(s, c, ref_nonsingle_cell);
/* Clear the counts; use lab because junk was overwritten */
for (i = cf; i <= cb; ++i) {
k = c->lab[i];
for (j = adj[k]; j != adj[k+1]; ++j) {
s->ccount[edg[j]] = 0;
}
}
return ret;
}
static int
ref_singleton(struct saucy *s, struct coloring *c,
const int *adj, const int *edg, int cf)
{
int i, k = c->lab[cf];
/* Find the cells we're connected to, and mark our neighbors */
for (i = adj[k]; i != adj[k+1]; ++i) {
data_mark(s, c, edg[i]);
}
/* Refine the cells we're connected to */
return refine_cell(s, c, ref_single_cell);
}
/* Return 0 if failed */
int spg_refine_cell(double lattice[3][3],
double position[][3],
int types[],
const int num_atom,
const double symprec)
{
sym_set_angle_tolerance(-1.0);
return refine_cell(lattice,
position,
types,
num_atom,
symprec);
}
Cell * ref_refine_cell(SPGCONST Cell * cell,
const double symprec)
{
return refine_cell(cell, symprec);
}