/** Fill residue bonds using the bond library. */
void mdt_fill_residue_bonds(struct mdt_residue_bond_list *bondlist,
const struct mdt_library *mlib,
const struct mod_libraries *libs)
{
/* Consider only standard amino acids */
const int n_std_restyp = 20;
GHashTable *res_hash;
/* Do nothing if the information is already populated */
if (bondlist->nres > 0) {
return;
}
res_hash = make_residue_types(bondlist, n_std_restyp, libs);
make_atom_names(bondlist->bonds, mlib->atclass[1], res_hash);
init_distances(bondlist);
add_bonds(bondlist->bonds, mlib->atclass[1], res_hash);
g_hash_table_destroy(res_hash);
fill_distances(bondlist);
}
void CGameGraphBuilder::build_cross_table (const float &start, const float &amount)
{
Progress (start);
Msg ("Building cross table");
// CTimer timer;
// timer.Start ();
fill_marks (start + 0.000000f*amount,0.018725f*amount);
// Msg ("CT : %f",timer.GetElapsed_sec());
fill_distances (start + 0.018725f*amount,0.183732f*amount);
// Msg ("CT : %f",timer.GetElapsed_sec());
iterate_distances (start + 0.202457f*amount,0.757202f*amount);
// Msg ("CT : %f",timer.GetElapsed_sec());
save_cross_table (start + 0.959659f*amount,0.040327f*amount);
// Msg ("CT : %f",timer.GetElapsed_sec());
load_cross_table (start + 0.999986f*amount,0.000014f*amount);
// Msg ("CT : %f",timer.GetElapsed_sec());
Progress (start + amount);
}
