EntityCorrespondence.hh

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// -*- mode:c++;tab-width:2;indent-tabs-mode:t;show-trailing-whitespace:t;rm-trailing-spaces:t -*-
// 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/pack_daemon/EntityCorrespondence.hh
/// @brief  declaration for class EntityCorrespondence
/// @author Andrew Leaver-Fay (aleaverfay@gmail.com)

#ifndef INCLUDED_protocols_pack_daemon_EntityCorrespondence_hh
#define INCLUDED_protocols_pack_daemon_EntityCorrespondence_hh

// Unit headers
#include <protocols/pack_daemon/EntityCorrespondence.fwd.hh>

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

// Utility headers
#include <utility/vector1.hh>
// AUTO-REMOVED #include <utility/io/izstream.fwd.hh>
#include <utility/pointer/ReferenceCount.hh>

// C++ headers
#include <list>
#include <iosfwd>

namespace protocols {
namespace pack_daemon {

class EntityCorrespondence : public utility::pointer::ReferenceCount {
public:
  typedef core::Size                Size;
  typedef std::list< Size >         ResIDList;
  typedef ResIDList::const_iterator ResIDListConstIter;
  typedef utility::pointer::ReferenceCount parent;
public:
  EntityCorrespondence();
  virtual ~EntityCorrespondence();
  EntityCorrespondence(EntityCorrespondence const &);
  EntityCorrespondence const & operator = ( EntityCorrespondence const & );

  void set_pose( core::pose::PoseCOP pose );
  void set_num_entities( Size num_entities );
  void initialize_from_correspondence_file( std::istream & );
  void add_resid_to_entity_list( Size EntityID, Size ResID );

  Size num_entities() const;
  Size num_residues() const;
  Size entity_for_residue( Size resid ) const;
  Size n_residues_for_entity( Size entity_id ) const;
  ResIDListConstIter residues_for_entity_begin( Size entity_id ) const;
  ResIDListConstIter residues_for_entity_end( Size entity_id ) const;


private:
  void bounds_check_entity( std::string const & funcname, Size entity_id ) const;
  void bounds_check_residue( std::string const & funcname, Size resid ) const;

private:
  core::pose::PoseCOP           pose_;
  core::pose::PDBPoseMapCOP     pdb_pose_map_;
  utility::vector1< ResIDList > entity_id_2_resids_; // one entity may correspond to several residues
  utility::vector1< Size >      resid_2_entity_id_;  // each residue corresponds to at most one entity.

  utility::vector1< std::string > funcnames_;

};


}
}

#endif