Align_RotamerEvaluator.hh

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// -*- mode:c++;tab-width:2;indent-tabs-mode:t;show-trailing-whitespace:t;rm-trailing-spaces:t -*-
// 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
// (c) addressed to University of Washington UW TechTransfer, email: license@u.washington.edu.

/// @file Align_RotamerEvaluator
/// @author James Thompson

#ifndef INCLUDED_protocols_comparative_modeling_Align_RotamerEvaluator_hh
#define INCLUDED_protocols_comparative_modeling_Align_RotamerEvaluator_hh

#include <protocols/comparative_modeling/Align_RotamerEvaluator.fwd.hh>

#include <protocols/evaluation/AlignEvaluator.hh>

#include <core/sequence/SequenceAlignment.fwd.hh>
#include <core/io/silent/silent.fwd.hh>
#include <core/pose/Pose.fwd.hh>

#include <core/types.hh>

#include <utility/vector1.hh>


namespace protocols {
namespace comparative_modeling {

class Align_RotamerEvaluator : public protocols::evaluation::AlignEvaluator {

public:
  Align_RotamerEvaluator(
    core::pose::PoseCOP native_pose,
    std::string tag = "rot_",
    core::Real const chi_dev = 30,
    core::sequence::SequenceAlignmentOP aln = 0
  );

  ~Align_RotamerEvaluator();

  virtual void apply(
    core::pose::Pose & pose,
    std::string tag,
    core::io::silent::SilentStruct & ss
  ) const;

  virtual core::Real apply(
    core::pose::Pose & /*pose*/
  ) const {
    return 0;
  }

  core::Real chi_dev() const;

private:
  core::pose::PoseCOP native_pose_;
  std::string tag_;
  core::Real chi_dev_;
  core::sequence::SequenceAlignmentOP aln_;
}; // Align_RotamerEvaluator

} // comparative_modeling
} // protocols

#endif