Exemplo n.º 1
0
ParticleIndexPairs GridClosePairsFinder::get_close_pairs(
    kernel::Model *m, const kernel::ParticleIndexes &ca,
    const kernel::ParticleIndexes &cb) const {
  IMP_OBJECT_LOG;
  set_was_used(true);
  kernel::ParticleIndexPairs out;
  internal::ParticleIndexHelper::fill_close_pairs(
      internal::ParticleIndexHelper::get_particle_set(ca.begin(), ca.end(), 0),
      internal::ParticleIndexHelper::get_particle_set(cb.begin(), cb.end(), 1),
      internal::ParticleIndexTraits(m, get_distance()),
      internal::ParticleIndexPairSink(m, access_pair_filters(), out));
  return out;
}
Exemplo n.º 2
0
ParticleIndexPairs GridClosePairsFinder::get_close_pairs(
    kernel::Model *m, const kernel::ParticleIndexes &c) const {
  IMP_OBJECT_LOG;
  set_was_used(true);
  IMP_LOG_TERSE("Rebuilding NBL with Grid and cutoff " << get_distance()
                                                       << std::endl);
  kernel::ParticleIndexPairs out;
  internal::ParticleIndexHelper::fill_close_pairs(
      internal::ParticleIndexHelper::get_particle_set(c.begin(), c.end(), 0),
      internal::ParticleIndexTraits(m, get_distance()),
      internal::ParticleIndexPairSink(m, access_pair_filters(), out));
  return out;
}