void arow::update(
const common::sfv_t& sfv,
double alpha,
double beta) {
util::concurrent::scoped_wlock lk(storage_->get_lock());
for (common::sfv_t::const_iterator it = sfv.begin(); it != sfv.end(); ++it) {
const std::string& feature = it->first;
double val = it->second;
storage::feature_val2_t val2;
storage_->get2_nolock(feature, val2);
storage::val2_t current_val(0.0, 1.0);
if (val2.size() > 0) {
current_val = val2[0].second;
}
storage_->set2_nolock(
feature,
"+",
storage::val2_t(current_val.v1 + alpha * current_val.v2 * val,
current_val.v2 - beta * current_val.v2 * current_val.v2* val * val));
}
}
// load a Protein Data Bank file. Each line corresponds to a single atom
bool ProteinComplex::LoadPDB2(bfs::path filename)
{
bfs::ifstream infile(filename);
std::string current_line;
if(!infile.is_open())
{
std::cout << "File not found: " << filename.string() <<"\n";
return false;
}
while (!infile.eof())
{
std::getline(infile, current_line);
if (!infile.eof())
{
if(current_line.substr(0, 4) == "ATOM")
break;
}
}
while (!infile.eof())
{
if(current_line.substr(0, 4) == "ATOM")
{
AtomData current_atom;
std::istringstream current_val(current_line.substr(6, 5));
current_val >> current_atom.atom_num;
current_val.clear();
current_val.str(current_line.substr(12, 4));
current_val >> current_atom.atom_type;
current_val.clear();
current_val.str(current_line.substr(17, 3));
current_val >> current_atom.residue_type;
current_val.clear();
current_val.str(current_line.substr(21, 1));
current_val >> current_atom.chain_id;
current_val.clear();
current_val.str(current_line.substr(22, 4));
current_val >> current_atom.residue_num;
current_val.clear();
current_val.str(current_line.substr(30, 8));
current_val >> current_atom.x_cd;
current_val.clear();
current_val.str(current_line.substr(38, 8));
current_val >> current_atom.y_cd;
current_val.clear();
current_val.str(current_line.substr(46, 8));
current_val >> current_atom.z_cd;
current_val.clear();
current_val.str(current_line.substr(54, 6));
current_val >> current_atom.occupancy;
current_val.clear();
current_val.str(current_line.substr(60, 6));
current_val >> current_atom.temp_factor;
current_val.clear();
current_val.str(current_line.substr(76, 2));
current_val >> current_atom.atom_element;
current_val.clear();
InsertAtomData(current_atom);
std::getline(infile, current_line);
}
else
