TorsionID.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.
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/// @file   core/id/AtomID.hh
/// @author Phil Bradley


#ifndef INCLUDED_core_id_TorsionID_hh
#define INCLUDED_core_id_TorsionID_hh


// Unit headers
#include <core/id/TorsionID.fwd.hh>

// Package headers
// AUTO-REMOVED #include <core/id/AtomID.fwd.hh>
#include <core/id/types.hh>

// AUTO-REMOVED #include <basic/Tracer.fwd.hh>

// C++ headers
#include <iostream>


namespace core {
namespace id {


/// /brief  Torsion identifier class
///
/// Note the order of the elements in construction calls:
///
///        ( residue, type, torsion )
///
///        sort of from least to most specific

class TorsionID
{

public: // Creation

  /// @brief Default constructor
  inline
  TorsionID() :
    rsd_( 0 ),
    type_( BB ),
    torsion_( 0 )
  {};

  /// @brief Copy constructor
  inline
  TorsionID( TorsionID const & src ) :
    rsd_( src.rsd_ ),
    type_( src.type_ ),
    torsion_( src.torsion_ )
  {}

  /// @brief Property constructor
  inline
  TorsionID(
    Size const rsd_in,
    TorsionType const & type_in,
    Size const torsion_in
  ) :
    rsd_( rsd_in ),
    type_( type_in ),
    torsion_( torsion_in )
  {}

public: // Properties

  inline
  Size
  rsd() const { return rsd_; }

  inline
  Size &
  rsd() { return rsd_; }

  inline
  TorsionType
  type() const { return type_; }

  inline
  TorsionType &
  type() { return type_; }

  inline
  Size
  torsion() const { return torsion_; }

  inline
  Size &
  torsion() { return torsion_; }

  /// @brief Is this id valid?
  /// \note Must return false for BOGUS_TORSION_ID
  inline
  bool
  valid() const { return ( rsd_ > 0 && torsion_ > 0 ); }

public: // Friends

  friend
  inline
  std::ostream &
  operator <<(
    std::ostream & os,
    TorsionID const & a
  )
  {
    os << "TorsionID " << a.rsd_ << ' ' << a.type_ << ' ' << a.torsion_;
    return os;
  }

  friend
  inline
  bool
  operator ==(
    TorsionID const & a,
    TorsionID const & b
  )
  {
    return a.type_ == b.type_ && a.torsion_ == b.torsion_ && a.rsd_ == b.rsd_;
  }

  friend
  inline
  bool
  operator !=(
    TorsionID const & a,
    TorsionID const & b
  )
  {
    return a.type_ != b.type_ || a.torsion_ != b.torsion_ || a.rsd_ != b.rsd_;
  }

  friend
  inline
  bool
  operator <(
    TorsionID const & a,
    TorsionID const & b
  )
  {
    if      ( a.rsd_     < b.rsd_     ) return true;
    else if ( a.rsd_     > b.rsd_     ) return false;

    if      ( a.type_    < b.type_    ) return true;
    else if ( a.type_    > b.type_    ) return false;

    if      ( a.torsion_ < b.torsion_ ) return true;

    return false;
  }

private: // Fields


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

  /// @brief  The type (BB,CHI,JUMP) of this torsion
  TorsionType type_;

  /// @brief Torsion number of the given type within the residue
  Size torsion_;


}; // TorsionID


/// @brief Globals
extern TorsionID const BOGUS_TORSION_ID;


} // namespace id
} // namespace core


#endif // INCLUDED_core_id_TorsionID_HH