void amino_acid_delete(AminoAcid *aa)
{
int i;
for(i = 0; i < array_size(aa->atoms); i++)
{
Atom *a = (Atom *)array_get(aa->atoms, i);
atom_delete(a);
}
array_delete(aa->atoms);
aa->N = NULL;
aa->CA = NULL;
aa->C = NULL;
free(aa);
}
error atom_set(atom_set_t *s,
atom_t a,
const unsigned char *block,
size_t length)
{
error err;
atom_t newa;
loc *p, *q;
loc t;
assert(s);
assert(a != atom_NOT_FOUND);
assert(block);
assert(length > 0);
if (!s->locpools)
return error_ATOM_SET_EMPTY;
assert(s->l_used >= 1);
if (!ATOMVALID(a))
return error_ATOM_OUT_OF_RANGE;
err = atom_new(s, block, length, &newa);
if (err == error_ATOM_NAME_EXISTS && newa == a)
/* setting an atom to its existing data is ignored */
return error_OK;
else if (err)
return err;
atom_delete(s, a);
/* now transpose old and new atoms */
p = &ATOMLOC(a);
q = &ATOMLOC(newa);
t = *p;
*p = *q;
*q = t;
return error_OK;
}
void atom_delete_block(atom_set_t *set,
const unsigned char *block,
size_t length)
{
atom_delete(set, atom_for_block(set, block, length));
}
