Anchor.hh

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/// @file protocols/AnchoredDesign/Anchor.hh
/// @brief header for Anchor
/// @author Steven Lewis

#ifndef INCLUDED_protocols_anchored_design_Anchor_hh
#define INCLUDED_protocols_anchored_design_Anchor_hh

// Unit Headers
#include <protocols/anchored_design/Anchor.fwd.hh>

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

// Utility Headers
#include <core/types.hh>
#include <utility/pointer/ReferenceCount.hh>

// C++ Headers
#include <string>

#include <utility/vector1.hh>


namespace protocols{
namespace anchored_design{

///@brief Anchor class provides for the "anchor" part of a scaffold in anchored interface design
///@details Anchor class implements the code to read in an anchor file, stores the definition of the anchor, and provides access methods for setting move maps.  It reads in PDB-keyed information, but converts it to pose resid information and internally stores only the latter.
class Anchor : public utility::pointer::ReferenceCount
{

public:
  ///@brief default ctor uses option system to set anchorfile; can't set start and end until a pose is available
  Anchor();

  ///@brief input constructor for arbitrary anchor, if you know resids; ignores anchorfile datum
  Anchor( core::Size const start, core::Size const end );

  ///@brief input constructor from pose and anchorfile
  Anchor( core::pose::Pose const & pose, std::string const & filename );

  ///@brief input constructor from pose, assumes anchorfile
  Anchor( core::pose::Pose const & pose );

  virtual ~Anchor();

  ///@brief copy ctor
  Anchor( Anchor const & rhs );

  ///@brief assignment operator
  Anchor & operator=( Anchor const & rhs );

  ///@brief method to read an anchor file. Pose is necessary to reference against
  void read_anchorfile(core::pose::Pose const & pose, std::string const & filename);

  ///@brief method to read an anchor file. Pose is necessary to reference against.  Checks internal data for filename.
  void read_anchorfile(core::pose::Pose const & pose);

  ///@brief returns start of anchor (as pose resid)
  inline core::Size start() const { return start_; }
  ///@brief returns end of anchor (as pose resid)
  inline core::Size end() const { return end_; }

  //option system replacement
  ///@brief setter for filename for anchorfile
  void set_filename(std::string const & filename);
  ///@brief getter for filename for anchorfile
  std::string const & get_filename() const;
  ///@brief read option system into internal data
  void read_options();

private:

  //Anchor class converts pdb info to pose resid and stores here
  ///@brief start in pose resid terms
  core::Size start_;
  ///@brief end in pose resid terms
  core::Size end_;
  ///@brief filename source for anchorfile
  std::string anchorfile_;

}; //class Anchor

}//AnchoredDesign
}//protocols

#endif //INCLUDED_protocols_AnchoredDesign_Anchor_HH