Esempi in C++ (Cpp) per get_connected_pairs

Esempio n. 1

File: MSConnectivityRestraint.cpp Progetto: j-ma-bu-l-l-ock/imp

Restraints MSConnectivityRestraint::do_create_current_decomposition() const {
  ParticlePairsTemp pp = get_connected_pairs();
  Restraints ret(pp.size());
  for (unsigned int i = 0; i < pp.size(); ++i) {
    IMP_NEW(PairRestraint, pr, (ps_, pp[i]));
    std::ostringstream oss;
    oss << get_name() << " " << i;
    pr->set_name(oss.str());
    ret[i] = pr;
  }
  return ret;
}

Esempio n. 2

File: MSConnectivityRestraint.cpp Progetto: j-ma-bu-l-l-ock/imp

double MSConnectivityScore::score(DerivativeAccumulator *accum) const {
  EdgeSet edges = get_connected_pairs();
  double sc = 0;
  for (EdgeSet::iterator p = edges.begin(); p != edges.end(); ++p) {
    if (accum) {
      sc += my_evaluate(
          ps_,
          restraint_.particle_matrix_.get_particle(p->first).get_particle(),
          restraint_.particle_matrix_.get_particle(p->second).get_particle(),
          accum);
    } else {
      sc += restraint_.particle_matrix_.get_distance(p->first, p->second);
    }
  }
  return sc;
}

Esempio n. 3

File: ConnectivityRestraint.cpp Progetto: apolitis/imp

kernel::Restraints ConnectivityRestraint::do_create_current_decomposition()
    const {
  kernel::ParticlePairsTemp pp = get_connected_pairs();
  kernel::Restraints ret;
  for (unsigned int i = 0; i < pp.size(); ++i) {
    IMP_NEW(PairRestraint, pr, (ps_, pp[i]));
    double score = pr->evaluate(false);
    /** We want to keep the edge even if it has weight 0 */
    if (score == 0) pr->set_last_score(.00001);
    std::ostringstream oss;
    oss << get_name() << " " << i;
    pr->set_name(oss.str());
    ret.push_back(pr);
  }
  return ret;
}