SymAtomTreeMinimizer.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:
//
// This file is part of the Rosetta software suite and is made available under license.
// The Rosetta software is developed by the contributing members of the Rosetta Commons consortium.
// (C) 199x-2009 Rosetta Commons participating institutions and developers.
// For more information, see http://www.rosettacommons.org/.

/// @file   core/optimization/AtomTreeMinimizer.hh
/// @brief  High-level atom tree minimizer class for symmetrical minimization
/// @author Ingemar Andre

#ifndef INCLUDED_core_optimization_symmetry_SymAtomTreeMinimizer_hh
#define INCLUDED_core_optimization_symmetry_SymAtomTreeMinimizer_hh


// Package headers
#include <core/optimization/MinimizerOptions.fwd.hh>
// AUTO-REMOVED #include <core/optimization/types.hh>
#include <core/optimization/AtomTreeMinimizer.hh>
// Symmetry
#include <core/conformation/symmetry/SymmetryInfo.fwd.hh>
#include <core/conformation/symmetry/SymmetricConformation.fwd.hh>

// Project headers
#include <core/kinematics/MoveMap.fwd.hh>
#include <core/pose/Pose.fwd.hh>
#include <core/scoring/ScoreFunction.fwd.hh>

#include <utility/vector1.hh>



namespace core {
namespace optimization {
namespace symmetry {

/// @brief High-level atom tree minimizer class
class SymAtomTreeMinimizer : public core::optimization::AtomTreeMinimizer
{

public:

typedef conformation::symmetry::SymmetricConformation SymmetricConformation;
typedef conformation::symmetry::SymmetryInfo SymmetryInfoOP;

public:

  // c-tor
  SymAtomTreeMinimizer(){};

  /// @brief Override the base class implementation.  Non-const.
  virtual
  Real
  run(
    pose::Pose & pose,
    kinematics::MoveMap const & move_map,
    scoring::ScoreFunction const & scorefxn,
    MinimizerOptions const & options
  );

  static
  void
  make_assymetric_movemap(
    pose::Pose & pose,
    kinematics::MoveMap const & move_map_sym,
    kinematics::MoveMap & move_map_asym
  );

  static
  void
  make_semisymmetric_movemap(
    pose::Pose & pose,
    kinematics::MoveMap const & move_map_sym,
    kinematics::MoveMap & move_map_semisym
  );

}; // SymAtomTreeMinimizer

} // symmetry
} // namespace optimization
} // namespace core


#endif // INCLUDED_core_optimization_symmetry_AtomTreeMinimizer_HH