BB_Pos.hh

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// vi: set ts=2 noet:
//
// (c) Copyright Rosetta Commons Member Institutions.
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/// @file ./src/protocols/fldsgn/topology/BB_Pos.hh
/// @brief bb_pos class header
/// @author Andrew Leaver-Fay (aleaverfay@gmail.com), Nobuyasu Koga ( nobuyasu@u.washington.edu )

#ifndef INCLUDED_protocols_fldsgn_topology_BB_Pos_hh
#define INCLUDED_protocols_fldsgn_topology_BB_Pos_hh

/// Unit headers
#include <protocols/fldsgn/topology/BB_Pos.fwd.hh>

/// Package headers
#include <core/types.hh>
#include <core/chemical/ResidueType.fwd.hh>
#include <core/pose/Pose.fwd.hh>

/// Utility headers
// AUTO-REMOVED #include <utility/vector1.hh>

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

#include <utility/vector1.hh>


namespace protocols {
namespace fldsgn {
namespace topology {

//////////////////////////////////////////////////////////////////////////////////////////////////////
class BB_Pos {


  typedef core::Size Size;
  typedef core::Vector Vector;
  typedef core::pose::Pose Pose;


public:

  void
  resize( Size const nres );

  void
  clear();

  void
  take_coordinates_from_pose( Pose const & pose );

  /// @details accessor for N's coordinate on residue i, requires take_coordinates_from_pose have been recently called.
  Vector const &
  N( Size const i ) const
  {
    return N_[i];
  }

  /// @details accessor for CA's coordinate on residue i, requires take_coordinates_from_pose have been recently called.
  Vector const &
  CA( Size const i ) const
  {
    return CA_[i];
  }

  /// @details accessor for CB's coordinate on residue i, requires take_coordinates_from_pose have been recently called.
  Vector const &
  CB( Size const i ) const
  {
    return CB_[i];
  }


  /// @details accessor for C's coordinate on residue i, requires take_coordinates_from_pose have been recently called.
  Vector const &
  C( Size const i ) const
  {
    return C_[i];
  }

  /// @details accessor for O's coordinate on residue i, requires take_coordinates_from_pose have been recently called.
  Vector const &
  O( Size const i ) const
  {
    return O_[i];
  }

  /// @
  Size size() const
  {
    return residue_types_.size();
  }

private:

  bool bbindices_up_to_date( Pose const & pose ) const;
  void update_indices( Pose const & pose );

private: // DATA

  utility::vector1< Vector > N_;
  utility::vector1< Vector > CA_;
  utility::vector1< Vector > CB_;
  utility::vector1< Vector > C_;
  utility::vector1< Vector > O_;

  /// Residue types must match those of the pose for the indices
  /// to match.
  utility::vector1< core::chemical::ResidueType const * > residue_types_;
  utility::vector1< Size > N_index_;
  utility::vector1< Size > CA_index_;
  utility::vector1< Size > CB_index_;
  utility::vector1< Size > C_index_;
  utility::vector1< Size > O_index_;

};

} // ns topology
} // ns fldsgn
} // ns devel

#endif