NamedAtomID.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.
// (c) This file is part of the Rosetta software suite and is made available under license.
// (c) The Rosetta software is developed by the contributing members of the Rosetta Commons.
// (c) For more information, see http://www.rosettacommons.org. Questions about this can be
// (c) addressed to University of Washington UW TechTransfer, email: license@u.washington.edu.

/// @file   core/id/NamedAtomID.hh
/// @author Oliver Lange


#ifndef INCLUDED_core_id_NamedAtomID_hh
#define INCLUDED_core_id_NamedAtomID_hh

// Unit headers
#include <core/id/NamedAtomID.fwd.hh>
// AUTO-REMOVED #include <core/id/AtomID.fwd.hh>

// C++ headers
// AUTO-REMOVED #include <iosfwd>
#ifdef WIN32
#include <string>
#endif

#include <core/types.hh>
#include <ostream>


namespace core {
namespace id {


/////////////////////////////////////////////////////////////////////////////
// NamedAtomID
/////////////////////////////////////////////////////////////////////////////

// data to uniquely specify an atom
// could change -- pointer?

/// @brief  Atom identifier class
class NamedAtomID
{

public: // Creation

  /// @brief Default constructor
  inline
  NamedAtomID() :
    atom_( "" ),
    rsd_( 0 )
  {}

  /// @brief Copy constructor
  inline
  NamedAtomID( NamedAtomID const & src ) :
    atom_( src.atom_ ),
    rsd_( src.rsd_ )
  {}

  /// @brief Property constructor
  inline
  NamedAtomID(
    std::string const & atom_in,
    Size const rsd_in
  ) :
    atom_( atom_in ),
    rsd_( rsd_in )
  {}

public: // Properties

  inline
  Size
  rsd() const { return rsd_; }

  inline
  Size &
  rsd() { return rsd_; }

  inline
  std::string const&
  atom() const { return atom_; }

  inline
  std::string &
  atom() { return atom_; }

  /// @brief Is this id valid?
  /// @note Must return false for BOGUS_ATOM_ID
  inline
  bool
  valid() const { return ( atom_.size() ) && ( rsd() > 0 ); }

  std::string to_string() const;

public: // Friends

  friend
  std::ostream &
  operator <<(
    std::ostream & os,
    NamedAtomID const & a
  );

  /// @brief input operator
  friend std::istream & operator >> ( std::istream & is, NamedAtomID & e );

  /// @brief a and b are the same atom
  friend
  inline
  bool
  operator ==(
    NamedAtomID const & a,
    NamedAtomID const & b
  ) { return a.atom_ == b.atom_ && a.rsd_ == b.rsd_; }

  /// @brief a and b are different atom
  friend
  inline
  bool
  operator !=(
    NamedAtomID const & a,
    NamedAtomID const & b
  ) { return a.atom_ != b.atom_ || a.rsd_ != b.rsd_; }

  /// @brief a is LOWER than b (e.g., first by smaller residue index number then by smaller atom index number)
  friend
  inline
  bool
  operator <(
    NamedAtomID const & a,
    NamedAtomID const & b
  ) {
    return ( a.rsd_ <  b.rsd_ ||
    ( a.rsd_ == b.rsd_ && a.atom_ < b.atom_ ) );
  }

private: // Fields
  /// @brief Atom number within the Residue
  std::string atom_;

  /// @brief Residue number within the complex
  Size rsd_;
}; // NamedAtomID


/// @brief Globals
extern NamedAtomID const BOGUS_NAMED_ATOM_ID;
extern NamedAtomID const CHAINBREAK_BOGUS_NAMED_ATOM_ID;

} // id
} // core

#endif