GunnCost.hh

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//
// (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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/// @brief  metric for Gunn moves
/// @author Oliver Lange ( olange@u.washington.edu )
/// @date   Wed Aug 22 12:08:31 2007
///

#ifndef INCLUDED_protocols_frag_picker_scores_GunnCost_HH
#define INCLUDED_protocols_frag_picker_scores_GunnCost_HH


// Project Headers
#include <core/types.hh>
#include <core/pose/Pose.fwd.hh>

#ifdef WIN32
#include <core/pose/Pose.hh> // WIN32 INCLUDE
#endif

// Utility headers
#include <utility/vector1.fwd.hh>

#include <utility/vector1.hh>


namespace protocols {
namespace frag_picker {
namespace scores {

using namespace core;

struct GunnTuple {
public:
  GunnTuple() {
    q1 = 0;
    q2 = 0;
    q3 = 0;
    q4 = 0;
    q5 = 0;
    q6 = 0;
  }
  core::Real q1, q2, q3, q4, q5, q6;
};

class GunnCost  {
public:
  GunnCost() : cutoff_(7.0) {}
  GunnCost( core::Real cutoff ) : cutoff_( cutoff) {}
  ~GunnCost() {}

  void compute_gunn( core::pose::Pose const& pose, core::Size begin, core::Size end, GunnTuple &data);
  core::Real score_tuple( GunnTuple const& g1, GunnTuple const& g2 );

private:
  Real cutoff_;
//  utility::vector1< core::pose::PoseOP > various_length_poses_;
};


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

#endif