ScoreFunctionInfo.hh

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/// @file   core/scoring/ScoreFunction.hh
/// @brief  Score function class
/// @author Phil Bradley


#ifndef INCLUDED_core_scoring_ScoreFunctionInfo_hh
#define INCLUDED_core_scoring_ScoreFunctionInfo_hh


// Unit Headers
#include <core/scoring/ScoreFunctionInfo.fwd.hh>

// Package Headers
#include <core/scoring/EnergyMap.hh>
#include <core/scoring/ScoreFunction.fwd.hh>
#include <core/scoring/ContextGraphTypes.hh>
#include <core/scoring/methods/EnergyMethodOptions.fwd.hh>

// Project Headers
#include <core/types.hh>

// Utility Headers
#include <utility/pointer/ReferenceCount.hh>

#include <utility/vector1.hh>



namespace core {
namespace scoring {


/// Info on the scorefunction settings

/**
  This object is handed to the pose's Energies object and stored
  along with the cached energies. It is used in the next scoring
  evaluation to decide whether it's safe to reuse cached energies.

  It must describe the kinds of context that the Energies object provides
  to the scoring function.  If any scoring function requires a tenA
  neighbor graph, then that information is stored here.  If a scoring
  function requires a different kind of neighborness graph (think
  centroid mode), then this class will indicate the kind of storage.

  Finally, it must describe the maximum atom-to-atom distance cutoff that characterizes
  the energy function.

  So all we need is a constructor and an operator==

**/

class ScoreFunctionInfo : public utility::pointer::ReferenceCount
{

public:


  /// default constructor -- fill this in
  ScoreFunctionInfo();
  ScoreFunctionInfo( ScoreFunctionInfo const & src );
  virtual ~ScoreFunctionInfo();


  /// copy constructor -- fill this in
  ScoreFunctionInfo( ScoreFunction const & scorefxn );

  void initialize_from( ScoreFunction const & scorefxn );

  /// comparison -- fill this in
  friend
  bool
  operator==( ScoreFunctionInfo const & a, ScoreFunctionInfo const & b ) /* PHIL */;

  /// comparison -- fill this in
  inline
  friend
  bool
  operator!=( ScoreFunctionInfo const & a, ScoreFunctionInfo const & b ) {
    return ! ( operator == ( a, b ));
  }

  EnergyMap const &
  scores_present() const {
    return scores_present_;
  }

  Distance
  max_atomic_interaction_distance() const {
    return max_atomic_interaction_distance_;
  }

  Distance
  max_context_neighbor_cutoff() const {
    return max_context_neighbor_cutoff_;
  }

  bool
  requires_context_graph( ContextGraphType cgt ) const;

private:
  ScoreFunctionInfo const & operator = ( ScoreFunctionInfo const & rhs ); // private, unimplemented; make sure this isn't called, or implement it

private:

  Distance max_atomic_interaction_distance_;
  Distance max_context_neighbor_cutoff_;

  utility::vector1< bool > context_graphs_required_;
  EnergyMap scores_present_;

  methods::EnergyMethodOptionsOP energy_method_options_;

};


} // namespace scoring
} // namespace core


#endif // INCLUDED_core_scoring_ScoreFunction_HH