FragmentScoreMap.hh

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// vi: set ts=2 noet:
//
// (c) Copyright Rosetta Commons Member Institutions.
// (c) This file is part of the Rosetta software suite and is made available under license.
// (c) The Rosetta software is developed by the contributing members of the Rosetta Commons.
// (c) For more information, see http://www.rosettacommons.org. Questions about this can be
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/// @file   protocols/frag_picker/scores/FragmentScoreMap.hh
/// @brief
/// @author Dominik Gront (dgront@chem.uw.edu.pl)

#ifndef INCLUDED_protocols_frag_picker_scores_FragmentScoreMap_hh
#define INCLUDED_protocols_frag_picker_scores_FragmentScoreMap_hh

// package headers
#include <protocols/frag_picker/scores/FragmentScoreMap.fwd.hh>
// AUTO-REMOVED #include <protocols/frag_picker/scores/FragmentScoreManager.fwd.hh>

// utility headers
#include <utility/pointer/ReferenceCount.hh>
#include <core/types.hh>
#include <utility/vector1_bool.hh>


namespace protocols {
namespace frag_picker {
namespace scores {

using namespace core;

/// @brief holds all small scores (score components) for a given fragment
/// @detailed each scoring method puts its own result into the map. The total score
/// is a dot product of the vector from this map and a vector of weights
class FragmentScoreMap: public utility::pointer::ReferenceCount {

public:

  /// @brief creates a new map for a given number of components
  /// @detailed usually the new map should be created by FragmentScoreManager::create_empty_map()
  inline FragmentScoreMap(Size n_componens) {
    small_scores_.resize(n_componens);
    was_modified_ = false;
    recent_total_ = 0.0;
    recent_quota_score_ = 999.999;
  }

  /// @brief creates a new deep copy of this map
  FragmentScoreMapOP clone() const {
    FragmentScoreMapOP f = new FragmentScoreMap(small_scores_.size());
    for (Size i = 1; i <= small_scores_.size(); i++)
      f->small_scores_[i] = small_scores_[i];
    f->was_modified_ = was_modified_;
    f->recent_total_ = recent_total_;

    return f;
  }

  inline Size size() const { return small_scores_.size(); }

  inline Real at(Size score_index) const { return small_scores_[score_index]; };

  /// @brief returns the vector of score components
  inline utility::vector1<Real>& get_score_components() const {
    return const_cast<utility::vector1<Real> &> (small_scores_);
  }

  /// @brief sets a new score value for a given component
  inline void set_score_component(Real score_value, Size component_id) {
    small_scores_[component_id] = score_value;
    was_modified_ = true;
  }

  /// @brief returns the total score that has been evaluated recently
  /// @detailed the method does not compute anything. You must check if the map has been
  /// modified after the last total score calculation. If so, you must recompute the total again
  inline Real get_most_recent_total_score() {
    return recent_total_;
  }

  /// @brief If the map has been modified, the total score it holds is not up-to-date and must be recalculated
  inline bool was_modified() {
    return was_modified_;
  }

  inline Real get_quota_score() { return recent_quota_score_; }

  inline void set_quota_score(Real quota_score) { recent_quota_score_ = quota_score; }

private:
  utility::vector1<Real> small_scores_;
  Real recent_total_;
  Real recent_quota_score_;
  bool was_modified_;
  friend class FragmentScoreManager;
};

} // scores
} // frag_picker
} // protocols

#endif /* INCLUDED_protocols_frag_picker_scores_FragmentScoreMap_HH */