LOCAL bool check_curve3d(
CURVE *c,
INTERFACE *intfc)
{
BOND *b;
BOND_TRI **bts, **bts0;
NODE *ns, *ne;
SURFACE *s, **ss;
TRI *tri, **tris;
bool status = YES;
char warn[1024];
int nsides, nbts, i;
int ntris;
(void) sprintf(warn,"WARNING in check_curve3d(), curve %llu inconsistent ",
curve_number(c));
if (c->interface != intfc)
{
(void) printf("%s c->interface (%llu) != intfc (%llu)\n",
warn,interface_number(c->interface),
interface_number(intfc));
status = NO;
}
ns = c->start;
if (!pointer_is_in_array(c,ns->out_curves))
{
(void) printf("%s curve in not in start node (%llu) "
"out_curves\n",warn,node_number(ns));
status = NO;
}
ne = c->end;
if (!pointer_is_in_array(c,ne->in_curves))
{
(void) printf("%s curve in not in end node (%llu) "
"in_curves\n",warn,node_number(ne));
status = NO;
}
if (ns->posn != c->first->start)
{
(void) printf("%s ns->posn != c->first->start\n"
"c->first->start = %llu, "
"ns = %llu, ns->posn = %llu\n",
warn,point_number(c->first->start),
node_number(ns),point_number(ns->posn));
status = NO;
}
if (ne->posn != c->last->end)
{
(void) printf("%s ne->posn != c->last->end\n"
"c->last->end = %llu, "
"ne = %llu, ne->posn = %llu\n",
warn,point_number(c->last->end),
node_number(ne),point_number(ne->posn));
print_general_vector("c->last->end", Coords(c->last->end), 3, "\n");
print_general_vector("ne->posn", Coords(ne->posn), 3, "\n");
print_curve(c);
status = NO;
}
if (!Boundary_point(ns->posn))
{
(void) printf("%s ns->posn (ns = %llu, ns->posn = %llu) is not a "
"boundary point\n",
warn,node_number(ns),point_number(ns->posn));
status = NO;
}
if (!Boundary_point(ne->posn))
{
(void) printf("%s ne->posn (ne = %llu, ne->posn = %llu) is not a "
"boundary point\n",
warn,node_number(ne),point_number(ne->posn));
status = NO;
}
if (!Boundary_point(c->first->start))
{
(void) printf("%s c->first->start = %llu is not a "
"boundary point\n",
warn,point_number(c->first->start));
status = NO;
}
if (!Boundary_point(c->last->end))
{
(void) printf("%s c->last->end = %llu is not a "
"boundary point\n",
warn,point_number(c->last->end));
status = NO;
}
for (ss = c->pos_surfaces; ss && *ss; ++ss)
{
if (!pointer_is_in_array(c,(*ss)->pos_curves))
{
(void) printf("%s curve in not s->pos_curves "
" s = %llu but s is in c->neg_surfaces\n",
warn,surface_number(*ss));
status = NO;
}
}
for (ss = c->neg_surfaces; ss && *ss; ++ss)
{
if (!pointer_is_in_array(c,(*ss)->neg_curves))
{
(void) printf("%s curve in not s->neg_curves "
" s = %llu but s is in c->neg_surfaces\n",
warn,surface_number(*ss));
status = NO;
}
}
b = c->first;
bts0 = Btris(b);
for (nbts = 0, bts = Btris(b); bts && *bts; ++nbts, ++bts);
if (nbts == 0)
{
if (c->pos_surfaces || c->neg_surfaces)
{
(void) printf("%s curve has no bond tris but is "
"connected to some surface\n",warn);
status = NO;
}
}
if (c->first->prev != NULL)
{
(void) printf("%s c->first->prev != NULL\n",warn);
print_bond(c->first);
print_bond(c->first->prev);
status = NO;
}
if (c->last->next != NULL)
{
(void) printf("%s c->last->next != NULL\n",warn);
print_bond(c->last);
print_bond(c->last->next);
status = NO;
}
for (b = c->first; b != NULL; b = b->next)
{
if (b->next && b->next->start != b->end)
{
(void) printf("%s bond pair (%llu -> %llu) point pointers "
"inconsistent\n",
warn,bond_number(b,intfc),
bond_number(b->next,intfc));
print_bond(b);
print_bond(b->next);
status = NO;
}
if (!Boundary_point(b->start))
{
(void) printf("%s b->start = %llu is not a "
"boundary point\n",
warn,point_number(b->start));
print_bond(b);
status = NO;
}
if (!Boundary_point(b->end))
{
(void) printf("%s b->end = %llu is not a "
"boundary point\n",
warn,point_number(b->end));
print_bond(b);
status = NO;
}
for (i = 0, bts = Btris(b); bts && *bts; ++i, ++bts)
{
if ((i < nbts) &&
!(((*bts)->surface == bts0[i]->surface) &&
((*bts)->orient == bts0[i]->orient)))
{
(void) printf("%s inconsistent surface numbers on "
"bond tri\n",warn);
(void) printf("surface = %llu surface[%d] = %llu\n",
surface_number((*bts)->surface),i,
surface_number(bts0[i]->surface));
(void) printf("orient = %s orient[%d] = %s\n",
orientation_name((*bts)->orient),i,
orientation_name(bts0[i]->orient));
print_bond(b);
status = NO;
}
}
if (i != nbts)
{
(void) printf("%s inconsistent %d != %d number of bond tris "
"on bond\n",warn,i,nbts);
print_bond(b);
status = NO;
}
for (bts = Btris(b); bts && *bts; ++bts)
{
if ((*bts)->curve != c)
{
(void) printf("%s bond tri curve field (%llu) != c\n",
warn,curve_number((*bts)->curve));
print_bond(b);
status = NO;
}
if ((*bts)->bond != b)
{
(void) printf("%s bond tri bond field (%llu) != b (%llu)\n",
warn,bond_number((*bts)->bond,intfc),
bond_number(b,intfc));
print_bond(b);
status = NO;
}
tri = (*bts)->tri;
s = Surface_of_tri(tri);
if ((*bts)->surface != s)
{
(void) printf("%s bond tri surface field (%llu)"
"!= Surface_of_tri(tri) (%llu)\n",
warn,surface_number((*bts)->surface),
surface_number(s));
print_bond(b);
status = NO;
}
for (nsides = 0, i = 0; i < 3; ++i)
{
if (is_side_bdry(tri,i) && (b==Bond_on_side(tri,i)))
++nsides;
}
if (nsides == 0)
{
(void) printf("%s bond not found on tri side\n",warn);
print_bond(b);
print_tri(tri,intfc);
status = NO;
}
else if (nsides > 1)
{
(void) printf("%s bond found on multiple tri sides\n",warn);
print_bond(b);
print_tri(tri,intfc);
status = NO;
}
else
{
if (orientation_of_bond_at_tri(b,tri) != (*bts)->orient)
{
(void) printf("%s inconsistent orientation at "
"bond tri\n",warn);
print_tri(tri,intfc);
print_bond(b);
status = NO;
}
switch ((*bts)->orient)
{
case POSITIVE_ORIENTATION:
if (!pointer_is_in_array(c,s->pos_curves))
{
(void) printf("%s curve in not s->pos_curves "
" s = %llu\n",
warn,surface_number(s));
print_bond(b);
print_tri(tri,intfc);
status = NO;
}
if (!pointer_is_in_array(s,c->pos_surfaces))
{
(void) printf("%s surface in not c->pos_surfaces "
" s = %llu\n",
warn,surface_number(s));
print_bond(b);
print_tri(tri,intfc);
status = NO;
}
break;
case NEGATIVE_ORIENTATION:
if (!pointer_is_in_array(c,s->neg_curves))
{
(void) printf("%s curve in not s->neg_curves "
" s = %llu\n",
warn,surface_number(s));
print_bond(b);
print_tri(tri,intfc);
status = NO;
}
if (!pointer_is_in_array(s,c->neg_surfaces))
{
(void) printf("%s surface in not c->neg_surfaces "
" s = %llu\n",
warn,surface_number(s));
print_bond(b);
print_tri(tri,intfc);
status = NO;
}
break;
case ORIENTATION_NOT_SET:
(void) printf("%s inconsistent point and tri "
"points\n",warn);
print_bond(b);
print_tri(tri,intfc);
status = NO;
break;
}
}
if (b->prev)
{
TRI *t0, *t1;
ntris = set_tri_list_around_point(b->start,tri,&tris,intfc);
t0 = tris[0]; t1 = tris[ntris-1];
if (!(((side_of_tri_with_bond(b,t0) < 3) &&
(side_of_tri_with_bond(b->prev,t1) < 3))
||
((side_of_tri_with_bond(b,t1) < 3) &&
(side_of_tri_with_bond(b->prev,t0) < 3)))
)
{
(void) printf("%s, corrupt tri list at b->start\n",
warn);
(void) printf("Bond b\n"); print_bond(b);
(void) printf("Bond b->prev\n"); print_bond(b->prev);
print_tri(tri,intfc);
(void) printf("number of tris at point = %d\n",ntris);
for (i = 0; i < ntris; ++i)
{
(void) printf("tris[%d] - ",i);
print_tri(tris[i],intfc);
}
status = NO;
}
}
}
}
return status;
} /*end check_curve3d*/
int main(){
// seed random number
unsigned long int seed;
seed=time(NULL);
init_genrand(seed);
//read parameters from the input file
int L;
unsigned long int nsteps;
double T;
FILE *in_file = fopen("input.dat","r");
if (in_file == NULL ){
printf("Error! Could not open input file (input.dat: L, T, nsteps)\n");
return 2;
}
fscanf(in_file,"%i %lf %li", &L, &T, &nsteps);
fclose(in_file);
double K = 1.0 / T, inv_K = 1.0 / K, P_acc;
int N = L * L;
int ira = 0, masha = 0, new_masha;
int nb, ibond, delta_nb, Nb = 0, Nb_tot = 0;
unsigned long int step, Z = 0;
// build site->x and site->y tables
int x[N], y[N];
for (int site=0; site<N; site++){
x[site] = site - (site / L) * L;
y[site] = site / L;
}
// build neighbors table
int nbr[N][4];
for (int site=0; site<N; site++){
nbr[site][0] = (site / L) * L + (site + 1 + N) % L;
nbr[site][1] = (site + L) % N;
nbr[site][2] = (site / L) * L + (site - 1 + N) % L;
nbr[site][3] = (site - L + N) % N;
}
// initialize bond weights
int bonds[N * 2];
for (int b=0; b<N * 2; b++){
bonds[b] = 0;
}
// main Monte Carlo loop
for (step=0; step<nsteps; step++){
if (ira == masha){
ira = (int)floor(genrand() * N);
masha = ira;
Z += 1;
Nb_tot -= Nb;
}
// shift move -- start
new_masha = nbr[masha][(int)floor(genrand() * 4)];
ibond = bond_number(masha, new_masha, x, y, L);
nb = bonds[ibond];
if (genrand() < 0.5){
delta_nb = 1;
P_acc = K / (nb + 1.0);
}
else {
delta_nb = - 1;
P_acc = nb * inv_K;
}
if (genrand() < P_acc){
bonds[ibond] += delta_nb;
Nb += delta_nb;
masha = new_masha;
}
// shift move -- end
} // end MC loop
// print output
FILE *out_file = fopen("output.dat","w");
fprintf(out_file, "%4i %.12f %.12f %.12lf %.12lf\n", L, T, K, Z / (nsteps * 1.0), Nb_tot * T / (Z * N * 1.0));
fclose(out_file);
} //end main
LOCAL bool check_curve2d(
CURVE *c,
INTERFACE *intfc)
{
BOND *b;
NODE *ns, *ne;
bool status = YES;
char warn[1024];
(void) sprintf(warn,"WARNING in check_curve(), curve %llu inconsistent ",
curve_number(c));
if (c->interface != intfc)
{
(void) printf("%s c->interface (%llu) != intfc (%llu)\n",
warn,interface_number(c->interface),
interface_number(intfc));
status = NO;
}
ns = c->start;
if (!pointer_is_in_array(c,ns->out_curves))
{
(void) printf("%s curve in not in start node (%llu) "
"out_curves\n",warn,node_number(ns));
status = NO;
}
ne = c->end;
if (!pointer_is_in_array(c,ne->in_curves))
{
(void) printf("%s curve in not in end node (%llu) "
"in_curves\n",warn,node_number(ne));
status = NO;
}
if (ns->posn != c->first->start)
{
(void) printf("%s ns->posn != c->first->start\n"
"c->first->start = %llu, "
"ns = %llu, ns->posn = %llu\n",
warn,point_number(c->first->start),
node_number(ns),point_number(ns->posn));
status = NO;
}
if (ne->posn != c->last->end)
{
(void) printf("%s ne->posn != c->last->end\n"
"c->last->end = %llu, "
"ne = %llu, ne->posn = %llu\n",
warn,point_number(c->last->end),
node_number(ne),point_number(ne->posn));
status = NO;
}
if (c->first->prev != NULL)
{
(void) printf("%s c->first->prev != NULL\n",warn);
print_bond(c->first);
print_bond(c->first->prev);
status = NO;
}
if (c->last->next != NULL)
{
(void) printf("%s c->last->next != NULL\n",warn);
print_bond(c->last);
print_bond(c->last->next);
status = NO;
}
for (b = c->first; b != NULL; b = b->next)
{
if (b->next && b->next->start != b->end)
{
(void) printf("%s bond pair (%llu -> %llu) point pointers "
"inconsistent\n",
warn,bond_number(b,intfc),
bond_number(b->next,intfc));
print_bond(b);
print_bond(b->next);
status = NO;
}
if ((b->next && b->next->prev != b) ||
(b->prev && b->prev->next != b) ||
b->next == b || b->prev == b)
{
(void) printf("%s bond pair (%llu -> %llu) link pointers "
"inconsistent\n",
warn,bond_number(b,intfc),
bond_number(b->next,intfc));
print_bond(b);
print_bond(b->next);
return NO; /* this is a potential deadloop, so exit */
}
}
return status;
} /*end check_curve2d*/