LoopRefineInnerCycle.hh

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/// @file protocols/loops/loop_mover/refine/LoopRefineInnerCycle.hh
/// @brief Abstract class to define interface for all types of "inner cycle" operations used for loop refinement.
/// @detailed
///
/// @author Brian D. Weitzner ( brian.weitzner@gmail.com )


#ifndef INCLUDED_protocols_loops_loop_mover_refine_LoopRefineInnerCycle_HH
#define INCLUDED_protocols_loops_loop_mover_refine_LoopRefineInnerCycle_HH

// Unit headers
#include <protocols/loops/loop_mover/refine/LoopRefineInnerCycle.fwd.hh>
#include <protocols/moves/Mover.hh>

// Package headers
// #include <protocols/loops/loop_mover/LoopMover.fwd.hh>
#include <protocols/loops/loop_mover/refine/LoopMover_CCD.fwd.hh>
#include <protocols/loops/Loops.fwd.hh>

// Project headers
#include <core/kinematics/MoveMap.fwd.hh>
#include <core/pack/task/TaskFactory.fwd.hh>
#include <core/scoring/ScoreFunction.fwd.hh>
#include <protocols/moves/MonteCarlo.fwd.hh>

// Utility headers
#include <utility/vector1.fwd.hh>

// C++ headers
#include <iostream>

namespace protocols {
namespace loops {
namespace loop_mover {
namespace refine {

class LoopRefineInnerCycle: public moves::Mover {
public: // boiler plate / virtuals
  // default constructor
  LoopRefineInnerCycle();

  // copy constructor
  LoopRefineInnerCycle( LoopRefineInnerCycle const & rhs );

  // assignment operator
  LoopRefineInnerCycle & operator=( LoopRefineInnerCycle const & rhs );

  // destructor
  virtual ~LoopRefineInnerCycle();

  // constructor with arguments
  LoopRefineInnerCycle(
    LoopMover_Refine_CCDAP loop_mover,
    moves::MonteCarloOP mc,
    core::scoring::ScoreFunctionOP scorefxn,
    core::pack::task::TaskFactoryOP tf
  );
  
  virtual void apply( Pose & ) = 0;
  virtual std::string get_name() const;

  ///@brief This mover retains state such that a fresh version is needed if the input Pose is about to change
  virtual bool reinitialize_for_new_input() const;

  /// @brief Associates relevant options with the LoopRefineInnerCycle class
  static void register_options();
  
  // NOTE: The clone() and fresh_instance() virtual methods are omitted because this class is abstract

public: // printing methods
  virtual void show( std::ostream & out=std::cout );
  friend std::ostream & operator<<(std::ostream& out, LoopRefineInnerCycle const & loop_refine_inner_cycle );

public: // class-specific public methods
  bool debug() const;
  void set_debug( bool debug );

  moves::MonteCarloOP mc() const;
  virtual void set_mc( moves::MonteCarloOP mc);

  core::scoring::ScoreFunctionOP scorefxn() const;
  virtual void set_scorefxn( core::scoring::ScoreFunctionOP scorefxn);

  core::pack::task::TaskFactoryOP task_factory() const;
  virtual void set_task_factory( core::pack::task::TaskFactoryOP tf );

  LoopMover_Refine_CCDAP loop_mover() const;
  virtual void set_loop_mover( LoopMover_Refine_CCDAP new_owner_in_town );

protected:
  core::kinematics::MoveMapOP movemap() const;
  void set_movemap( core::kinematics::MoveMapOP movemap );

  Loops get_one_random_loop() const;

  void setup_objects( Pose const & pose );

private: // methods
  void init();
  void init(
    LoopMover_Refine_CCDAP loop_mover,
    moves::MonteCarloOP mc,
    core::scoring::ScoreFunctionOP scorefxn,
    core::pack::task::TaskFactoryOP tf
  );

  void init_for_equal_operator_and_copy_constructor( LoopRefineInnerCycle & lhs, LoopRefineInnerCycle const & rhs);
  void init_options();

private: // data
  bool debug_;

  LoopMover_Refine_CCDAP loop_mover_that_owns_me_; // access pointer prevents strong reference cycle
  moves::MonteCarloOP mc_;
  core::scoring::ScoreFunctionOP scorefxn_;
  core::pack::task::TaskFactoryOP tf_;

  mutable core::kinematics::MoveMapOP movemap_;

}; // class LoopRefineInnerCycle

} // namespace refine
} // namespace loop_mover
} // namespace loops
} // namespace protocols

#endif // INCLUDED_protocols_loops_loop_mover_refine_LoopRefineInnerCycle_HH