static void cmp_top(FILE *fp,t_topology *t1,t_topology *t2,real ftol, real abstol)
{
int i;
fprintf(fp,"comparing top\n");
if (t2) {
cmp_idef(fp,&(t1->idef),&(t2->idef),ftol,abstol);
cmp_atoms(fp,&(t1->atoms),&(t2->atoms),ftol,abstol);
cmp_block(fp,&t1->cgs,&t2->cgs,"cgs");
cmp_block(fp,&t1->mols,&t2->mols,"mols");
cmp_blocka(fp,&t1->excls,&t2->excls,"excls");
} else {
cmp_idef(fp,&(t1->idef),NULL,ftol,abstol);
cmp_atoms(fp,&(t1->atoms),NULL,ftol,abstol);
}
}
void cmp_top(FILE *fp, const t_topology *t1, const t_topology *t2, real ftol, real abstol)
{
fprintf(fp, "comparing top\n");
if (t2)
{
cmp_idef(fp, &(t1->idef), &(t2->idef), ftol, abstol);
cmp_atoms(fp, &(t1->atoms), &(t2->atoms), ftol, abstol);
cmp_block(fp, &t1->cgs, &t2->cgs, "cgs");
cmp_block(fp, &t1->mols, &t2->mols, "mols");
cmp_bool(fp, "bIntermolecularInteractions", -1, t1->bIntermolecularInteractions, t2->bIntermolecularInteractions);
cmp_blocka(fp, &t1->excls, &t2->excls, "excls");
}
else
{
cmp_idef(fp, &(t1->idef), NULL, ftol, abstol);
cmp_atoms(fp, &(t1->atoms), NULL, ftol, abstol);
}
}