Ejemplo n.º 1
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ModelObjectsTemp CoreClosePairContainer::do_get_inputs() const {
  ModelObjectsTemp ret;
  ret.push_back(c_);
  ret.push_back(score_state_);
  ret.push_back(moved_);
  return ret;
}
Ejemplo n.º 2
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ModelObjectsTemp CoreClosePairContainer::get_score_state_inputs()
    const {
  ParticleIndexes all = c_->get_all_possible_indexes();
  ModelObjectsTemp ret = IMP::get_particles(get_model(), all);
  for (unsigned int i = 0; i < get_number_of_pair_filters(); ++i) {
    ret += get_pair_filter(i)->get_inputs(get_model(), all);
  }
  ret += cpf_->get_inputs(get_model(), all);
  ret.push_back(c_);
  ret.push_back(moved_);
  return ret;
}
Ejemplo n.º 3
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ModelObjectsTemp RevoluteJointMover::do_get_inputs() const {
  ModelObjectsTemp ret;
  core::RigidMembers tmp(joints_[0]->get_parent_node().get_rigid_members());
  for (unsigned int i = 0; i < tmp.size(); ++i)
      ret.push_back(tmp[i]); //->get_particle());
  for (unsigned int j = 0; j < joints_.size(); ++j) {
      tmp = joints_[j]->get_child_node().get_rigid_members();
      for (unsigned int i = 0; i < tmp.size(); ++i)
          ret.push_back(tmp[i]); //->get_particle());
  }
  return ret;
}
Ejemplo n.º 4
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ModelObjectsTemp ConnectivityRestraint::do_get_inputs() const {
  if (!sc_) return ModelObjectsTemp();
  ModelObjectsTemp ret;
  ret += ps_->get_inputs(get_model(), sc_->get_all_possible_indexes());
  ret.push_back(sc_);
  return ret;
}
Ejemplo n.º 5
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ModelObjectsTemp MovedSingletonContainer::get_score_state_inputs() const {
  ModelObjectsTemp ret =
      IMP::get_particles(get_model(), pc_->get_indexes());
  ret.push_back(pc_);
  ret += get_extra_inputs();
  return ret;
}
Ejemplo n.º 6
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ModelObjectsTemp EnvelopePenetrationRestraint::do_get_inputs() const {
  ModelObjectsTemp pt;
  for (ParticleConstIterator it = particles_begin(); it != particles_end();
       ++it) {
    pt.push_back(*it);
  }
  return pt;
}
Ejemplo n.º 7
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ModelObjectsTemp KinematicForestScoreState::do_get_outputs() const {
  ModelObjectsTemp ret;
  ret += atoms_;
  for (unsigned int i = 0; i < rbs_.size(); i++) {
    ret.push_back(rbs_[i]);
  }
  return ret;
}
Ejemplo n.º 8
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kernel::ModelObjectsTemp RigidBodyUmbrella::do_get_inputs() const {
    kernel::Model *m = get_model();
    ModelObjectsTemp ret;
    //reference rb
    ret.push_back(m->get_particle(ref_));
    kernel::ParticleIndexes pref(
        RigidBody(m, ref_).get_member_indexes());
    for (unsigned i=0; i<pref.size(); i++)
        ret.push_back(m->get_particle(pref[i]));
    //target rb
    ret.push_back(m->get_particle(pi_));
    kernel::ParticleIndexes iref(
        RigidBody(m, pi_).get_member_indexes());
    for (unsigned i=0; i<iref.size(); i++)
        ret.push_back(m->get_particle(iref[i]));
    return ret;
}
ModelObjectsTemp DensityFillingRestraint::do_get_inputs() const {
  ModelObjectsTemp pt;
  for (ParticleConstIterator it = particles_begin(); it != particles_end();
       ++it) {
    pt.push_back(*it);
  }
  return pt;
}
Ejemplo n.º 10
0
IMPKINEMATICS_BEGIN_NAMESPACE

ModelObjectsTemp KinematicForestScoreState::do_get_inputs() const {
  ModelObjectsTemp ret;
  ret += atoms_;
  for (unsigned int i = 0; i < rbs_.size(); i++) {
    ret.push_back(rbs_[i]);
  }
  return ret;
}
ModelObjectsTemp GaussianProcessInterpolation::get_inputs()
    const {
  ModelObjectsTemp ret;
  ModelObjectsTemp ret1 = mean_function_->get_inputs();
  ret.insert(ret.end(), ret1.begin(), ret1.end());
  ret.push_back(sigma_);
  ModelObjectsTemp ret2 = covariance_function_->get_inputs();
  ret.insert(ret.end(), ret2.begin(), ret2.end());
  return ret;
}
Ejemplo n.º 12
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ModelObjectsTemp SameResiduePairFilter::do_get_inputs(
    Model *m, const ParticleIndexes &pis) const {
  ModelObjectsTemp ret = IMP::get_particles(m, pis);
  for (unsigned int i = 0; i < pis.size(); ++i) {
    if (Atom::get_is_setup(m, pis[i])) {
      Particle *parent = Hierarchy(m, pis[i]).get_parent();
      if (parent) {
        ret.push_back(parent);
      }
    }
  }
  return ret;
}
Ejemplo n.º 13
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ModelObjectsTemp BondedPairFilter::do_get_inputs(
    Model *m, const ParticleIndexes &pis) const {
  ModelObjectsTemp ret = IMP::get_particles(m, pis);
  for (unsigned int i = 0; i < pis.size(); ++i) {
    if (Bonded::get_is_setup(m, pis[i])) {
      Bonded b(m, pis[i]);
      for (unsigned int i = 0; i < b.get_number_of_bonds(); ++i) {
        ret.push_back(b.get_bond(i));
      }
    }
  }
  return ret;
}
Ejemplo n.º 14
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ModelObjectsTemp HelixRestraint::do_get_inputs() const {
  ModelObjectsTemp ps;
  Model *m = get_model();
  for (IMP::Vector<IMP::PointerMember<
         core::MultipleBinormalRestraint> >::const_iterator td = dihedral_rs_.begin();
       td != dihedral_rs_.end(); ++td){
    ModelObjectsTemp bps = (*td)->get_inputs();
    ps.insert(ps.end(), bps.begin(), bps.end());
  }
  for (ParticleIndexPairs::const_iterator tb = bonds_ON_.begin();
       tb != bonds_ON_.end(); ++tb) {
    ps.push_back(m->get_particle((*tb)[0]));
    ps.push_back(m->get_particle((*tb)[1]));
  }

  return ps;
}
Ejemplo n.º 15
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ModelObjectsTemp DummyPairContainer::do_get_inputs() const {
  ModelObjectsTemp ret =
      cpf_->get_inputs(get_model(), c_->get_indexes());
  ret.push_back(c_);
  return ret;
}
Ejemplo n.º 16
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ModelObjectsTemp ParticlesDummyRestraint::do_get_inputs() const {
  ModelObjectsTemp ret = container_->get_particles();
  ret.push_back(container_);
  return ret;
}
Ejemplo n.º 17
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ModelObjectsTemp MovedSingletonContainer::do_get_inputs() const {
  ModelObjectsTemp ret;
  ret.push_back(pc_);
  ret.push_back(score_state_);
  return ret;
}
Ejemplo n.º 18
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// We also need to know which particles are used (as some are
//   used, but don't create interactions).
ModelObjectsTemp Em2DRestraint::do_get_inputs() const {
  ModelObjectsTemp ret = particles_container_->get_particles();
  ret.push_back(particles_container_);
  return ret;
}