SlideIntoSurface.hh

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//     rm-trailing-spaces:t -*-
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//
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/// @file SurfaceOrientMover.hh
/// @brief <add a description of the class>
/// @author Robin A Thottungal (rathottungal@gmail.com)

#ifndef INCLUDED_protocols_surface_docking_SlideIntoSurface_hh
#define INCLUDED_protocols_surface_docking_SlideIntoSurface_hh

// Unit Headers

// Package headers
#include <protocols/surface_docking/SurfaceParameters.fwd.hh>
#include <protocols/moves/Mover.hh>
#include <core/scoring/ScoreFunction.fwd.hh>

// Project headers
#include <core/types.hh>
#include <core/pose/Pose.fwd.hh>

// ObjexxFCL Headers

// Utility Headers

// C++ Headers
#include <string>
#include <map>
#include <list>

//Auto Headers
#include <sstream>

namespace protocols {
namespace surface_docking {

class SlideIntoSurface : public moves::Mover {

public:

  SlideIntoSurface();

  SlideIntoSurface(core::Size const rb_jump);

  //destructor
  ~SlideIntoSurface();

  /// virtual functions that get overloaded or
  //                           called from the inheriting classes
  void apply( core::pose::Pose & );

  virtual std::string get_name() const;

private:
  core::scoring::ScoreFunctionOP scorefxn_;
  // which jump to use for docking
  core::Size rb_jump_;
  };

/// @brief Slides docking partners together by monitoring fa_rep.
/// @details
///   If partners are already touching, no change is made.
///   Separation will be 1A or less after calling this function.
class FaSlideIntoSurface : public moves::Mover
{
public:
  FaSlideIntoSurface();
  FaSlideIntoSurface( core::Size const rb_jump);
      //protocols::surface_docking::SurfaceParametersOP surfParams);

  //destructor
  ~FaSlideIntoSurface();

  virtual void apply( core::pose::Pose & pose );
  virtual std::string get_name() const;

private:
  core::Size rb_jump_;
  core::scoring::ScoreFunctionOP scorefxn_;
  core::Real tolerance_; ///< how accurate do you want to be?
  protocols::surface_docking::SurfaceParametersOP surfaceParams_;
};


/// @brief Moves the protein away from the surface.
/// @details
class FaSlideAwayFromSurface : public moves::Mover
{
public:
  FaSlideAwayFromSurface();
  FaSlideAwayFromSurface( core::Size const rb_jump);

  //destructor
  ~FaSlideAwayFromSurface();

  virtual void apply( core::pose::Pose & pose );
  virtual std::string get_name() const;

private:
  core::scoring::ScoreFunctionOP scorefxn_;
  core::Size rb_jump_;
  core::Real tolerance_;

};


} // surfaceDockingProtocols
} // protocols

#endif