CustomScoreSelector.cc

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// vi: set ts=2 noet:
//
// (c) Copyright Rosetta Commons Member Institutions.
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/// @file   protocols/frag_picker/CustomScoreSelector.hh
/// @brief provides a selector that picks best fragments based on their total score
/// @author Dominik Gront (dgront@chem.uw.edu.pl)

#include <protocols/frag_picker/CustomScoreSelector.hh>

#include <protocols/frag_picker/FragmentSelectingRule.hh>

// package headers
#include <protocols/frag_picker/FragmentCandidate.hh>
#include <protocols/frag_picker/scores/FragmentScoreMap.fwd.hh>
#include <protocols/frag_picker/scores/FragmentScoreManager.hh>
#include <utility/vector1.hh>
// utility headers
#include <core/types.hh>
#include <basic/Tracer.hh>

namespace protocols {
namespace frag_picker {

static basic::Tracer trCustomScoreSelector("protocols.frag_picker.CustomScoreSelector");

typedef utility::vector1<std::pair< ScoredCandidate, core::Real> > ExtraScoreVector;

bool sort_function( ExtraScoreVector::value_type p1, ExtraScoreVector::value_type p2 ) {
  return ( p1.second < p2.second );
}

void CustomScoreSelector::select_fragments(
   ScoredCandidatesVector1 const& input_canditates,
   ScoredCandidatesVector1& output_selection )
{
  Size n = frags_per_pos();
  if (n > input_canditates.size())
    n = input_canditates.size();
  trCustomScoreSelector.Debug << "Selecting " << n << "fragments from "
      << input_canditates.size() << " candidates" << std::endl;
  ExtraScoreVector tmp;
  scores::FragmentScoreMapOP map = scoring_scheme_->create_empty_map();
  for (Size i=1; i<=input_canditates.size(); i++) {
    scoring_scheme_->do_caching(input_canditates[i].first->get_chunk());
    scoring_scheme_->score_fragment( input_canditates[i].first, map );
    core::Real v = scoring_scheme_->total_score( map );
    scoring_scheme_->clean_up();
    ExtraScoreVector::value_type p(input_canditates[i], v);
    tmp.push_back( p );
  }

  std::sort(tmp.begin(), tmp.end(), sort_function);
  for (Size i = 1; i <= n; i++) {
    output_selection.push_back( tmp[i].first );
  }
}


} // frag_picker
} // protocols