static void reduce_topology_x(int gnx, atom_id index[],
gmx_mtop_t *mtop, rvec x[], rvec v[])
{
t_topology top;
gmx_bool *bKeep;
atom_id *invindex;
int i;
top = gmx_mtop_t_to_t_topology(mtop);
bKeep = bKeepIt(gnx, top.atoms.nr, index);
invindex = invind(gnx, top.atoms.nr, index);
reduce_block(bKeep, &(top.cgs), "cgs");
reduce_block(bKeep, &(top.mols), "mols");
reduce_blocka(invindex, bKeep, &(top.excls), "excls");
reduce_rvec(gnx, index, x);
reduce_rvec(gnx, index, v);
reduce_atom(gnx, index, top.atoms.atom, top.atoms.atomname,
&(top.atoms.nres), top.atoms.resinfo);
for (i = 0; (i < F_NRE); i++)
{
reduce_ilist(invindex, bKeep, &(top.idef.il[i]),
interaction_function[i].nratoms,
interaction_function[i].name);
}
top.atoms.nr = gnx;
mtop->nmoltype = 1;
snew(mtop->moltype, mtop->nmoltype);
mtop->moltype[0].name = mtop->name;
mtop->moltype[0].atoms = top.atoms;
for (i = 0; i < F_NRE; i++)
{
mtop->moltype[0].ilist[i] = top.idef.il[i];
}
mtop->moltype[0].atoms = top.atoms;
mtop->moltype[0].cgs = top.cgs;
mtop->moltype[0].excls = top.excls;
mtop->nmolblock = 1;
snew(mtop->molblock, mtop->nmolblock);
mtop->molblock[0].type = 0;
mtop->molblock[0].nmol = 1;
mtop->molblock[0].natoms_mol = top.atoms.nr;
mtop->molblock[0].nposres_xA = 0;
mtop->molblock[0].nposres_xB = 0;
mtop->natoms = top.atoms.nr;
}
static STATEMENT *reduce_statement(MODULE *module, FUNCTION *func, BLOCK *block, STATEMENT *stmt)
{
if (stmt == NULL)
return stmt;
if (tree_is_type(stmt, STMT_ASSIGN))
{
EXPRESSION *expr = tree_get_child(stmt, 1);
expr = simplify_expression(module, func, block, expr, stmt);
tree_get_child(stmt, 1) = expr;
}
else if (tree_is_type(stmt, STMT_IF))
{
EXPRESSION *cond = tree_get_child(stmt, 0);
cond = simplify_expression(module, func, block, cond, stmt);
tree_get_child(stmt, 0) = cond;
reduce_block(module, func, tree_get_child(stmt, 1));
reduce_block(module, func, tree_get_child(stmt, 2));
}
else if (tree_is_type(stmt, STMT_WHILE))
{
EXPRESSION *cond = tree_get_child(stmt, 0);
BLOCK *body = tree_get_child(stmt, 1);
if (!is_atomic(cond))
{
EXPRESSION *old_cond = cond;
cond = atomise_expression(module, func, block, cond, stmt);
tree_get_child(stmt, 0) = cond;
STATEMENT *new_assign = make_assignment(cond, CAST_TO_EXPRESSION(tree_copy(old_cond)), CAST_TO_AST(cond)->source_line);
tree_add_child(body, new_assign);
}
reduce_block(module, func, body);
}
else if (tree_is_type(stmt, STMT_RETURN))
{
EXPRESSION *expr = tree_get_child(stmt, 0);
expr = atomise_expression(module, func, block, expr, stmt);
tree_get_child(stmt, 0) = expr;
}
else if (tree_is_type(stmt, STMT_RESTART))
{
/* Do nothing. */
}
else
error("Not sure how to reduce statement of type %d\n", tree_type(stmt));
return stmt;
}
static int reduce_block(MODULE *module, FUNCTION *func, BLOCK *block)
{
int i;
int size;
if (block == NULL)
return 0;
size = tree_num_children(block);
for (i = 0; i < tree_num_children(block); i++)
{
STATEMENT *stmt = tree_get_child(block, i);
if (tree_is_type(stmt, STMT_BLOCK))
reduce_block(module, func, CAST_TO_BLOCK(stmt));
else
reduce_statement(module, func, block, stmt);
if (size != tree_num_children(block))
{
size = tree_num_children(block);
i--;
}
}
return 1;
}
int reduce(MODULE *module, FUNCTION *func)
{
int changed;
if (has_graph(func))
changed = reduce_graph(module, func, func->graph);
else
changed = reduce_block(module, func, tree_get_child(func, 0));
return changed;
}
