DimerPairing.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:
//
// This file is made available under the Rosetta Commons license.
// See http://www.rosettacommons.org/license
// (C) 199x-2007 University of Washington
// (C) 199x-2007 University of California Santa Cruz
// (C) 199x-2007 University of California San Francisco
// (C) 199x-2007 Johns Hopkins University
// (C) 199x-2007 University of North Carolina, Chapel Hill
// (C) 199x-2007 Vanderbilt University

/// @file
/// @brief
/// @author Nobuyasu Koga ( nobuyasu@uw.edu )

#ifndef INCLUDED_protocols_fldsgn_topology_DimerPairing_hh
#define INCLUDED_protocols_fldsgn_topology_DimerPairing_hh

#include <core/types.hh>
#include <utility/pointer/ReferenceCount.hh>
#include <protocols/fldsgn/topology/DimerPairing.fwd.hh>
#include <protocols/fldsgn/topology/SS_Info2.fwd.hh>
#include <utility/vector1.hh>

namespace protocols {
namespace fldsgn {
namespace topology {


class DimerPairing  : public utility::pointer::ReferenceCount {
public:
  ///@brief Automatically generated virtual destructor for class deriving directly from ReferenceCount
  virtual ~DimerPairing();


  typedef core::Size Size;
  typedef core::Real Real;


public:

  DimerPairing (
    Size const res1,
    Size const res2,
    Real const dist,
    Real const phi,
    Real const theta,
    Real const sigma,
    Real const dp,
    Size const sign1,
    Size const sign2,
    Real const score );

  Size
  res1() const
  {
    return res1_;
  }

  Size
  res2() const
  {
    return res2_;
  }

  Real
  dist() const
  {
    return dist_;
  }

  Real
  phi() const
  {
    return phi_;
  }

  Real
  theta() const
  {
    return theta_;
  }

  Real
  dp() const
  {
    return dp_;
  }

  Real
  sigma() const
  {
    return sigma_;
  }

  Size
  sign1() const
  {
    return sign1_;
  }

  Size
  sign2() const
  {
    return sign2_;
  }

  Real
  score() const
  {
    return score_;
  }

  char
  orient() const
  {
    return orient_;
  }

  bool
  valid() const
  {
    return valid_;
  }

  void
  valid( bool const v )
  {
    valid_ = v;
  }



public:


  bool is_parallel( Real const phi, Real const theta );


public:


  friend
  std::ostream & operator<<( std::ostream & out, const DimerPairing &dp );


private: // data


  Size res1_;
  Size res2_;
  Real dist_;
  Real phi_;
  Real theta_;
  Real sigma_;
  Real dp_;
  Size sign1_;
  Size sign2_;
  Real score_;
  char orient_;
  bool valid_;

};

class DimerPairings : public utility::vector1< DimerPairingOP > {
public:

  typedef core::Size Size;
  typedef protocols::fldsgn::topology::SS_Info2 SS_Info2;
  typedef protocols::fldsgn::topology::DimerPairing DimerPairing;

public:

  void finalize( SS_Info2 const & ss_info );

  friend
  std::ostream & operator<<( std::ostream& out, const DimerPairings &dps );

};


} // ns topology
} // ns fldsgn
} // ns protocols

#endif