TorsionBinSimilarity.hh

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// vi: set ts=2 noet:
//
// (c) Copyright Rosetta Commons Member Institutions.
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// (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/TorsionBin.hh
/// @brief  scores a fragment based on scores for a probability over torsion bins.
/// @author James Thompson

#ifndef INCLUDED_protocols_frag_picker_scores_TorsionBinSimilarity_hh
#define INCLUDED_protocols_frag_picker_scores_TorsionBinSimilarity_hh

// type headers
#include <core/types.hh>

#include <protocols/frag_picker/VallChunk.fwd.hh>
#include <protocols/frag_picker/scores/CachingScoringMethod.hh>
#include <utility/vector1_bool.hh>
#include <iostream>

#include <utility/vector1.hh>




namespace protocols {
namespace frag_picker {
namespace scores {

typedef utility::vector1< utility::vector1 < Real > > Matrix;

class TorsionBinSimilarity;
typedef utility::pointer::owning_ptr< TorsionBinSimilarity > TorsionBinSimilarityOP;
typedef utility::pointer::owning_ptr< TorsionBinSimilarity const > TorsionBinSimilarityCOP;

/// @brief scores a fragment by torsion bin similarity
class TorsionBinSimilarity: public CachingScoringMethod {
public:

  TorsionBinSimilarity(
    Size priority,
    Real lowest_acceptable_value,
    bool use_lowest,
    utility::vector1< utility::vector1< core::Real > > query_bin_probs,
    Size sequence_length,
    Size longest_vall_chunk
  ) :
    CachingScoringMethod(
      priority, lowest_acceptable_value, use_lowest,
      "TorsionBin"
    ),
    query_len_( sequence_length ),
    query_bin_probs_( query_bin_probs )
  {
    for ( Size i = 1; i <= query_len_; ++i ) {
      utility::vector1< Real > row(longest_vall_chunk);
      scores_.push_back(row);
    }
  }

  void do_caching(VallChunkOP);

  void clean_up() {};

  /// @brief Computes the score
  virtual bool cached_score(FragmentCandidateOP, FragmentScoreMapOP);

private:
  char torsion2big_bin_(
    core::Real const phi,
    core::Real const psi,
    core::Real const omega
  ) const;

  Size bin_index_( char const bin_name ) const;

protected:
  Matrix scores_;

private:
  std::string name_;
  Size query_len_;
  utility::vector1< utility::vector1< core::Real > > query_bin_probs_;
  std::string cached_scores_id_;
}; // TorsionBinSimilarity

/// @brief  Maker class that produces a new TorsionBin object
class MakeTorsionBinSimilarity: public MakeFragmentScoringMethod {
public:

  MakeTorsionBinSimilarity() :
    MakeFragmentScoringMethod("TorsionBinSimilarity")
  {}

  FragmentScoringMethodOP make(
    Size priority,
    Real lowest_acceptable_value,
    bool use_lowest,
    FragmentPickerOP picker,
    std::string /* prediction_id */
  );
};

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

#endif /* INCLUDED_protocols_frag_picker_scores_TorsionBin_HH */