idealize.hh

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// vi: set ts=2 noet:
//
// (c) Copyright Rosetta Commons Member Institutions.
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/// @file src/protocols/idealize/idealize.hh
/// @brief protocols for idealizing a Pose
/// @author


#ifndef INCLUDED_protocols_idealize_idealize_hh
#define INCLUDED_protocols_idealize_idealize_hh

#include <core/types.hh>
#include <core/pose/Pose.fwd.hh>
#include <core/scoring/ScoreFunction.fwd.hh>

#include <utility/vector1_bool.hh>

#include <utility/vector1.hh>



namespace protocols {
namespace idealize {

void
dihedral_distance(
  core::pose::Pose const & pose1,
  core::pose::Pose const & pose2,
  utility::vector1< bool > const & use_pos,
  core::Real & avg_bb_angle_dev,
  core::Real & max_bb_angle_dev,
  core::Real & avg_chi_angle_dev,
  core::Real & max_chi_angle_dev
);

void
basic_idealize(
  core::pose::Pose & pose,
  utility::vector1< core::Size > pos_list, // local copy
  core::scoring::ScoreFunction const & scorefxn,
  bool const fast,
  bool const chainbreaks = false // to maintain previous behavior (abrelax and ?  may use idealizer to close chainbreaks)
);

} // idealize
} // protocols

#endif