/**
 *  \file DopePairScore.cpp
 *  \brief Dope score
 *
 *  Copyright 2007-2013 IMP Inventors. All rights reserved.
 *
 */

#include <IMP/atom/DopePairScore.h>
#include <IMP/atom/Atom.h>
#include <IMP/atom/Residue.h>

IMPATOM_BEGIN_NAMESPACE


namespace {
void add_dope_score_data(Atom atom) {
  int type;
  Residue rd= get_residue(atom);
  std::string atom_string=atom.get_atom_type().get_string();
  std::string residue_string= rd.get_residue_type().get_string();
  std::string score_type = residue_string + '_' + atom_string;
  if (!DopeType::get_key_exists(score_type)) {
    type=-1;
  } else {
    //std::cout << "Type for " << atom << " is "
    //  << DopeType(score_type) << std::endl;
    type= DopeType(score_type).get_index();
  }
  if (type==-1 && atom.get_element() != H) {
    IMP_LOG_TERSE( "Failed to find type for "
            << atom << " " << rd << std::endl);
  }
  if (atom->has_attribute(score_functor::Dope::get_dope_type_key())) {
    IMP_USAGE_CHECK(atom->get_value(score_functor::Dope::get_dope_type_key())
                    == type,
                    "Atom " << atom << " already has dope score type "
                    << "but it is not correct. Got "
                    << atom->get_value(score_functor::Dope::get_dope_type_key())
                    << " expected " << type);
  } else {
    atom->add_attribute(score_functor::Dope::get_dope_type_key(), type);
  }
}
}

void add_dope_score_data(Hierarchy h) {
  Hierarchies atoms= get_by_type(h, ATOM_TYPE);
  for (unsigned int i= 0; i< atoms.size(); ++i) {
    add_dope_score_data(Atom(atoms[i]));
  }
}


IMPATOM_END_NAMESPACE