VirtualCoordinates.hh

Go to the documentation of this file.

// -*- 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

/// @brief  Symmetry data container
/// @file   core/conformation/symmetry/SymmData.hh
/// @author Ingemar Andre


#ifndef INCLUDED_core_conformation_symmetry_VirtualCoordinates_hh
#define INCLUDED_core_conformation_symmetry_VirtualCoordinates_hh

// Utility headers
#include <utility/pointer/owning_ptr.hh>
#include <utility/pointer/ReferenceCount.hh>
#include <core/types.hh>
#include <numeric/xyzVector.hh>
#include <numeric/xyzMatrix.hh>

// C++ headers
#include <string>
#include <vector>

namespace core {
namespace conformation {
namespace symmetry {

class VirtualCoordinates
{

  public:

  VirtualCoordinates(){}

  /// @brief copy constructor
  VirtualCoordinates( VirtualCoordinates const & src );

//  {
//    axis_x_ = src.axis_x_;
//    axis_y_ = src.axis_y_;
//    axis_origin_ = src.axis_origin_;
//  }

  VirtualCoordinates &
  operator=( VirtualCoordinates const & src ) {
    axis_x_ = src.axis_x_;
    axis_y_ = src.axis_y_;
    axis_origin_ = src.axis_origin_;
    return *this;
  }

  ~VirtualCoordinates(){}

  void
  push_back_x( numeric::xyzVector< core::Real> & vector )
  {
    axis_x_.push_back( vector );
  }

  void
  push_back_y( numeric::xyzVector< core::Real> & vector )
  {
    axis_y_.push_back( vector );
  }

  void
  push_back_origin( numeric::xyzVector< core::Real> & vector )
  {
    axis_origin_.push_back( vector );
  }

  void
  push_back( numeric::xyzVector< core::Real> & x,
             numeric::xyzVector< core::Real> & y,
             numeric::xyzVector< core::Real> & origin )
  {
    push_back_x( x );
    push_back_y( y );
    push_back_origin( origin );
  }

  numeric::xyzVector< core::Real> &
  get_x( core::Size num )
  {
    assert( axis_y_.size() >= num );
    return axis_x_[num-1];

  }

  numeric::xyzVector< core::Real> &
  get_y( core::Size num )
  {
    assert( axis_y_.size() >= num );
    return axis_y_[num-1];
  }

  numeric::xyzVector< core::Real> &
  get_origin( core::Size num )
  {
    assert( axis_y_.size() >= num );
    return axis_origin_[num-1];
  }

  bool
  kosher()
  {
    if ( axis_x_.size() == axis_y_.size() && axis_x_.size() == axis_origin_.size() ) return true;
    else return false;
  }

  Size
  size()
  {
    assert( kosher() );
    return axis_x_.size();
  }


  void
  add_coordinate_from_string( std::vector< std::string > coords,
                              core::Size coord_start=2 );


  private:

  std::vector < numeric::xyzVector< core::Real> > axis_x_;
  std::vector < numeric::xyzVector< core::Real> > axis_y_;
  std::vector < numeric::xyzVector< core::Real> > axis_origin_;
};

} // symmetry
} // conformation
} // core
#endif