GridSearchIterator.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.
// (c) For more information, see http://www.rosettacommons.org. Questions about this can be
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 //////////////////////////////////////////////
 /// @begin
 ///
 /// @file protocols/scoring/methods/pcs2/GridSearchIterator.hh
 ///
 /// @brief
 ///
 /// @detailed
 ///
 /// @param
 ///
 /// @return
 ///
 /// @remarks
 ///
 /// @references
 ///
 /// @authorsv Christophe Schmitz
 ///
 /// @last_modified February 2010
 ////////////////////////////////////////////////


#ifndef INCLUDED_protocols_scoring_methods_pcs2_GridSearchIterator_hh
#define INCLUDED_protocols_scoring_methods_pcs2_GridSearchIterator_hh


// Unit headers

// Package headers

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

// Utility headers
#include <utility/pointer/ReferenceCount.hh>

// Numeric headers

// Objexx headers

// C++ headers


namespace protocols{
namespace scoring{
namespace methods{
namespace pcs2{

class GridSearchIterator : public utility::pointer::ReferenceCount {
public:

  GridSearchIterator(); //Construct

  virtual ~GridSearchIterator(); //Destruct

  GridSearchIterator(GridSearchIterator const & other); //copy

  GridSearchIterator & // =
  operator=(GridSearchIterator const & other);

  GridSearchIterator(numeric::xyzVector< core::Real > const coo1,
                     numeric::xyzVector< core::Real > const coo2,
                     core::Real const k,
                     core::Real const edge_size,
                     core::Real const step_size,
                     core::Real const small_cutoff,
                     core::Real const large_cutoff,
                     core::Real const cone_angle);

  /// @brief give me the next x-y-z coordinate to visit
  /// bool return FALSE if everything has been visited
  bool
  next_center(core::Real &x,
              core::Real &y,
              core::Real &z);


private:
  bool
  next(core::Real &x, core::Real &y, core::Real &z);
  void
  reset();

  core::Real const x_center_;
  core::Real const y_center_;
  core::Real const z_center_;
  core::Real x_current_;
  core::Real y_current_;
  core::Real z_current_;
  core::Real const step_;
  core::Real const edge_;
  core::Real step_x_;
  core::Real step_y_;
  core::Real step_z_;
  bool next_to_return_;
  core::Real const delta_;
  core::Real const small_cutoff_square_;
  core::Real const large_cutoff_square_;
  core::Real const x_vector_;
  core::Real const y_vector_;
  core::Real const z_vector_;
  core::Real const norme_vector_;
  core::Real const cone_angle_cos_;
};

} //namespace pcs2
} //namespace methods
} //namespace scoring
} //namespace methods

#endif