SimplePDB_Atom.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   core/scoring/packstat/SimplePDB_Atom.hh
///
/// @brief
/// @author will sheffler


#ifndef INCLUDED_core_scoring_packstat_SimplePDB_Atom_hh
#define INCLUDED_core_scoring_packstat_SimplePDB_Atom_hh


// Project forward headers
#include <core/scoring/packstat/SimplePDB_Atom.fwd.hh>
#include "core/scoring/packstat/types.hh"

#include <string>

namespace core {
namespace scoring {
namespace packstat {


/// @brief
struct SimplePDB_Atom
{
  friend std::ostream & operator>> ( std::ostream & out, SimplePDB_Atom & pdb  );
  friend std::ostream & operator<< ( std::ostream & out, SimplePDB_Atom const & atom );

  SimplePDB_Atom() :
    num(-12345),
    resnum(),
    chain(),
    x(),
    y(),
    z(),
    occ(),
    bfac(),
    sasa(),
    radius()
  {}

  ~SimplePDB_Atom() {}

  std::string ATOM, type, res, lastcol, whole_line;
  int num, resnum;
  char chain;
  PackstatReal x, y, z, occ, bfac, sasa, radius;
  numeric::xyzVector<PackstatReal> xyz;

}; // SimplePDB_Atom


} // namespace packstat
} // namespace scoring
} // namespace core


#endif // INCLUDED_core_scoring_packstat_SimplePDB_Atom_HH