Пример #1
0
void gen_subsets(Subsets &s, const Subset &x, int n, int p, int m) {
	int i;
	Subset x2;
	
	if(x.size() == m) {
		s.push_back(x);
		
		//Debug
		//draw(x);
		//cout << endl;
		
		return;
	}
	
	for(i = p; i <= n; i++) {
		x2 = x;

		x2.push_back(i);
		
		gen_subsets(s, x2, n, i + 1, m);
	}
}
Пример #2
0
SubsetGraph get_restraint_graph(ScoringFunctionAdaptor in,
                                const ParticleStatesTable *pst) {
  RestraintsTemp rs =
      IMP::create_decomposition(in->create_restraints());
  // ScoreStatesTemp ss= get_required_score_states(rs);
  SubsetGraph ret(rs.size());  // + ss.size());
  IMP_LOG_TERSE("Creating restraint graph on " << rs.size() << " restraints."
                                               << std::endl);
  boost::unordered_map<Particle *, int> map;
  SubsetGraphVertexName pm = boost::get(boost::vertex_name, ret);
  DependencyGraph dg = get_dependency_graph(rs[0]->get_model());
  DependencyGraphVertexIndex index = IMP::get_vertex_index(dg);
  /*IMP_IF_LOG(VERBOSE) {
    IMP_LOG_VERBOSE( "dependency graph is \n");
    IMP::internal::show_as_graphviz(dg, std::cout);
    }*/
  Subset ps = pst->get_subset();
  for (unsigned int i = 0; i < ps.size(); ++i) {
    ParticlesTemp t = get_dependent_particles(
        ps[i], ParticlesTemp(ps.begin(), ps.end()), dg, index);
    for (unsigned int j = 0; j < t.size(); ++j) {
      IMP_USAGE_CHECK(map.find(t[j]) == map.end(),
                      "Currently particles which depend on more "
                          << "than one particle "
                          << "from the input set are not supported."
                          << "  Particle \"" << t[j]->get_name()
                          << "\" depends on \"" << ps[i]->get_name()
                          << "\" and \""
                          << ps[map.find(t[j])->second]->get_name() << "\"");
      map[t[j]] = i;
    }
    IMP_IF_LOG(VERBOSE) {
      IMP_LOG_VERBOSE("Particle \"" << ps[i]->get_name() << "\" controls ");
      for (unsigned int i = 0; i < t.size(); ++i) {
        IMP_LOG_VERBOSE("\"" << t[i]->get_name() << "\" ");
      }
      IMP_LOG_VERBOSE(std::endl);
    }
  }
  for (unsigned int i = 0; i < rs.size(); ++i) {
    ParticlesTemp pl = IMP::get_input_particles(rs[i]->get_inputs());
    std::sort(pl.begin(), pl.end());
    pl.erase(std::unique(pl.begin(), pl.end()), pl.end());
    Subset os(pl);
    for (unsigned int j = 0; j < pl.size(); ++j) {
      pl[j] = ps[map[pl[j]]];
    }
    std::sort(pl.begin(), pl.end());
    pl.erase(std::unique(pl.begin(), pl.end()), pl.end());
    Subset s(pl);
    IMP_LOG_VERBOSE("Subset for restraint " << rs[i]->get_name() << " is " << s
                                            << " from " << os << std::endl);
    pm[i] = s;
  }
  /*ScoreStatesTemp ss= get_required_score_states(rs);
    for (ScoreStatesTemp::const_iterator it= ss.begin();
    it != ss.end(); ++it) {
    ParticlesTemp pl= (*it)->get_input_particles();
    add_edges(ps, pl, map, *it, ret);
    ParticlesTemp opl= (*it)->get_output_particles();
    add_edges(ps, opl, map, *it, ret);
    }
    IMP_INTERNAL_CHECK(boost::num_vertices(ret) == ps.size(),
    "Wrong number of vertices "
    << boost::num_vertices(ret)
    << " vs " << ps.size());*/
  for (unsigned int i = 0; i < boost::num_vertices(ret); ++i) {
    for (unsigned int j = 0; j < i; ++j) {
      if (get_intersection(pm[i], pm[j]).size() > 0) {
        boost::add_edge(i, j, ret);
        IMP_LOG_VERBOSE("Connecting " << rs[i]->get_name() << " with "
                                      << rs[j]->get_name() << std::endl);
      }
    }
  }
  return ret;
}