OrbitalXYZCoords.hh

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//
// (c) Copyright Rosetta Commons Member Institutions.
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/// @file core/conformation/orbitals/OrbitalXYZCoords.hh
/// @brief Created on: Jun 30, 2011
/// @author combss

#ifndef INCLUDED_core_conformation_orbitals_ORBITALXYZCOORDS_HH
#define INCLUDED_core_conformation_orbitals_ORBITALXYZCOORDS_HH

// Project headers
#include <core/types.hh>

// Utility headers
#include <numeric/xyzVector.hh>


namespace core{
namespace conformation{
namespace orbitals{


class OrbitalXYZCoords {
public:
  /// @brief default constructor and set atom type number to 0 and place the
  /// atom at the origin
  OrbitalXYZCoords():
    xyz_( 0.0 ),
    type_(0)
  {}

  /// @brief constructor with an atom type number
  // type is set at construction time -- atom is placed at the origin
  OrbitalXYZCoords( Vector const & xyz_in, ShortSize const & type):
    xyz_( xyz_in ),
    type_(type)
  {}


  /// @brief destructor
  virtual
  ~OrbitalXYZCoords() {}



  Vector const &
  xyz() const
  {
    return xyz_;
  }


  void
  xyz( Vector const & xyz_in )
  {
    xyz_ = xyz_in;
  }

  ShortSize const &
  type() const
  {
    return type_;
  }

  void
  type(ShortSize const & type_in)
  {
    type_ = type_in;
  }

private:
  /// xyz coordinates
  Vector xyz_;
  ShortSize type_;




};




}
}
}




#endif /* ORBITALXYZCOORDS_HH_ */