RotamerDumpMover.hh

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// vi: set ts=2 noet:
//
// (c) Copyright Rosetta Commons Member Institutions.
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// (c) The Rosetta software is developed by the contributing members of the Rosetta Commons.
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/// @file   protocols/RotamerDump/RotamerDumpMover.hh
/// @author Sam DeLuca

#ifndef INCLUDED_protocols_RotamerDump_RotamerDumpMOver_HH
#define INCLUDED_protocols_RotamerDump_RotamerDumpMOver_HH

#include <protocols/RotamerDump/RotamerDumpMover.fwd.hh>
#include <core/pack/task/TaskFactory.fwd.hh>
#include <core/pack/task/PackerTask.fwd.hh>
#include <core/scoring/ScoreFunction.fwd.hh>
#include <protocols/moves/Mover.hh>
// AUTO-REMOVED #include <core/pose/Pose.hh>
#include <core/pack/rotamer_set/RotamerSets.fwd.hh>
// AUTO-REMOVED #include <core/pack/interaction_graph/InteractionGraphBase.hh>

#include <core/pack/interaction_graph/InteractionGraphBase.fwd.hh>
#include <utility/vector1.hh>


namespace protocols {
namespace RotamerDump {

/// @brief a mover for dumping interaction graph information.  The information is appended to the current job.
class RotamerDumpMover : public protocols::moves::Mover
{
public:

  RotamerDumpMover(core::pack::task::TaskFactoryOP task_factory, core::scoring::ScoreFunctionOP score_function);
  virtual void apply(core::pose::Pose & pose);
  virtual std::string get_name() const ;

private:
  /// @brief dump the one body energy table
  std::string get_onebody_energy_table(core::pack::interaction_graph::InteractionGraphBaseOP ig,core::pack::rotamer_set::RotamerSetsOP rotamer_sets);

  /// @brief dump the two body energy table
  std::string get_twobody_energy_table(core::pack::interaction_graph::InteractionGraphBaseOP ig,core::pack::rotamer_set::RotamerSetsOP rotamer_sets);
  /// @brief dump the xyz coordinates of every atom in every rotamer
  std::string get_xyz_coord_table(core::pack::rotamer_set::RotamerSetsOP rotamer_sets);
  /// @brief return the interaction nodes selected by the annealer.  This function does not modify the pose.
  std::string get_annealer_pick_table(core::pack::interaction_graph::InteractionGraphBaseOP ig, core::pack::rotamer_set::RotamerSetsOP rotamer_sets, core::pose::Pose & pose, core::pack::task::PackerTaskCOP task);

  core::pack::task::TaskFactoryOP task_factory_;
  core::scoring::ScoreFunctionOP score_function_;

};

}
}

#endif