VoxelSetIterator.hh

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// (c) Copyright Rosetta Commons Member Institutions.
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// (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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/// @file   protocols/match/VoxelSetIterator.hh
/// @brief  Declaration for iterator to traverse the 64 bins each hit covers in the OccupiedSpaceHash
/// @author Andrew Leaver-Fay (aleaverfay@gmail.com), porting to mini

#ifndef INCLUDED_protocols_match_VoxelSetIterator_hh
#define INCLUDED_protocols_match_VoxelSetIterator_hh

// Unit headers
#include <protocols/match/VoxelSetIterator.fwd.hh>

// Package headers
//#include <protocols/match/SixDHasher.fwd.hh>
#include <protocols/match/Hit.fwd.hh>

// Numeric headers
#include <numeric/xyzVector.hh>
#include <numeric/geometry/BoundingBox.hh>
#include <numeric/geometry/hashing/SixDHasher.fwd.hh>

// Utility headers
#include <utility/fixedsizearray1.hh>
#include <utility/FixedSizeLexicographicalIterator.hh>

namespace protocols {
namespace match {

/// @brief Helper class for the OccupiedSpaceHasher which manages the logic for how
/// to iterate across the 64 voxels that each 6-D point covers.
///
/// @details This class ensures that the bounding box for the hash is not
/// walked outside of, that the phi and psi are wrapped at 360, and that
/// when theta is near a gimbal-lock angle of 180 or 0, that phi and psi are
/// appropriately wrapped to the negative rotation.  This class may be rapidly
/// allocated and deallocated on the stack -- no calls to new are made anywhere.
class VoxelSetIterator
{
public:
  typedef core::Size Size;
  typedef core::Real Real;
  typedef core::Vector                             Vector;
  typedef numeric::geometry::BoundingBox< Vector > BoundingBox;
  typedef numeric::geometry::hashing::Real3        Real3;
  typedef numeric::geometry::hashing::Size6        Size6;
  typedef numeric::geometry::hashing::Bin6D        Bin6D;

public:
  VoxelSetIterator(
    BoundingBox const & bb,
    Size3 const & n_xyz_bins,
    Size3 const & n_euler_bins,
    Real3 const & xyz_bin_widths,
    Real3 const & euler_bin_widths,
    Real3 const & xyz_bin_halfwidths,
    Real3 const & euler_bin_halfwidths,
    Real6 const & point
  );

  void operator ++ ();
  bool at_end() const;
  void get_bin_and_pos( Size6 & bin, Size & pos ) const;

private:
  void calc_bin_and_pos();

private:
  BoundingBox bb_;
  Size3 n_xyz_bins_;
  Size3 n_euler_bins_;
  Real3 xyz_bin_widths_;
  Real3 euler_bin_widths_;
  Real3 xyz_bin_halfwidths_;
  Real3 euler_bin_halfwidths_;
  Real6 point_;

  Bin6D basebin_;
  Bin6D basehalfbin_;

  //bool wrap_theta_;
  bool theta_near_0_;
  bool theta_near_180_;

  utility::fixedsizearray1< Size, 2 > wrapped_phipsi_bins_;
  utility::fixedsizearray1< Size, 2 > wrapped_phipsi_halfbins_;

  utility::FixedSizeLexicographicalIterator< 6 > iter64_;
  Size6 curr_bin_; // The voxel for the
  Size  curr_pos_; // which of the 64 different half-width voxels in the regular width voxel
};


}
}

#endif