ccd_closure.hh

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// 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.
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/// @file
/// @brief
/// @author


#ifndef INCLUDED_protocols_loops_loop_closure_ccd_ccd_closure_hh
#define INCLUDED_protocols_loops_loop_closure_ccd_ccd_closure_hh


// Package headers
#include <core/types.hh>
#include <core/pose/Pose.fwd.hh>
#include <core/kinematics/MoveMap.fwd.hh>

#include <utility/vector1.hh>

namespace protocols {
namespace loops {
namespace loop_closure {
namespace ccd {

int
fast_ccd_loop_closure(
  core::pose::Pose & pose,
  core::kinematics::MoveMap const & mm,
  int const loop_begin,
  int const loop_end,
  int const cutpoint,
  int const ii_cycles,
  core::Real const tolerance,
  bool const rama_check,
  core::Real const max_rama_score_increase,
  core::Real const max_total_delta_helix,
  core::Real const max_total_delta_strand,
  core::Real const max_total_delta_loop,
  core::Real & forward_deviation, // output
  core::Real & backward_deviation, // output
  core::Real & torsion_delta,
  core::Real & rama_delta
);

void
ccd_moves(
  int const total_moves,
  core::pose::Pose & pose,
  core::kinematics::MoveMap const & mm,
  int const loop_begin,
  int const loop_end,
  int const cutpoint
);

} // namespace ccd
} // namespace loop_closure
} // namespace loops
} // namespace protocols

#endif //INCLUDED_protocols_loops_loop_closure_ccd_ccd_closure_hh