TenANeighborGraph.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:
//
// (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
// (c) addressed to University of Washington UW TechTransfer, email: license@u.washington.edu.

/// @file   core/scoring/TenANeighborGraph.hh
/// @brief  Ten Angstrom Neighbor Graph class declaration
/// @author Andrew Leaver-Fay (leaverfa@email.unc.edu)

#ifndef INCLUDED_core_scoring_TenANeighborGraph_hh
#define INCLUDED_core_scoring_TenANeighborGraph_hh

// Unit Headers
#include <core/scoring/TenANeighborGraph.fwd.hh>

// Package Headers
#include <core/scoring/ContextGraph.hh>

// Project Headers
#include <core/graph/Graph.hh>

#include <core/pose/Pose.fwd.hh>

#include <utility/vector1.hh>


namespace core {
namespace scoring {

class TenANeighborNode : public graph::Node
{
public:
  typedef graph::Node parent;

public:
  virtual ~TenANeighborNode();
  TenANeighborNode( graph::Graph*, Size node_id );

  virtual void copy_from( Node const * source );

  virtual Size count_static_memory() const;
  virtual Size count_dynamic_memory() const;

  /// @brief set the neighbor mass for a vertex
  void neighbor_mass( Real mass );

  /// @brief return the neighbor mass for a vertex
  inline
  Real neighbor_mass() const
  { return neighbor_mass_; }

  inline
  Real sum_of_neighbors_masses() const
  {
    if ( since_last_sonm_update_ == TIME_TO_UPDATE ) {
      update_neighbor_mass_sum();
    }
    return sum_of_neighbors_masses_;
  }

  /// @brief To be called by TenANeighborEdge only
  /// called at the time of edge addition
  void add_neighbors_mass( Real neighbors_mass ) {
    sum_of_neighbors_masses_ += neighbors_mass;
    ++since_last_sonm_update_;
  }

  /// @brief To be called by TenANeighborEdge only
  /// called at the time of edge deletion
  void subtract_neighbors_mass( Real neighbors_mass ) {
    sum_of_neighbors_masses_ -= neighbors_mass;
    ++since_last_sonm_update_;
  }
private:
  void
  update_neighbor_mass_sum() const;

private:
  static Size const TIME_TO_UPDATE = 1024;

  Real neighbor_mass_;
  mutable Real sum_of_neighbors_masses_;
  mutable Size since_last_sonm_update_;
};

class TenANeighborEdge : public graph::Edge
{
public:
  typedef graph::Edge parent;

public:
  virtual ~TenANeighborEdge();
  TenANeighborEdge(graph::Graph* owner, Size first_node_ind, Size second_node_ind);

  virtual void copy_from( graph::Edge const * source );

  virtual Size count_static_memory() const;
  virtual Size count_dynamic_memory() const;

private:
  inline
  TenANeighborNode const *
  get_TenANode( Size node_index ) const {
    assert( dynamic_cast< TenANeighborNode const * > ( get_node( node_index ) ) );
    return static_cast< TenANeighborNode const * > ( get_node( node_index ) );
  }

  inline
  TenANeighborNode *
  get_TenANode( Size node_index ) {
    assert( dynamic_cast< TenANeighborNode * > ( get_node( node_index ) ) );
    return static_cast< TenANeighborNode * > ( get_node( node_index ) );
  }

};

class TenANeighborGraph : public ContextGraph
{
public:
  typedef ContextGraph parent;

public:

  virtual ~TenANeighborGraph();

  TenANeighborGraph();
  TenANeighborGraph(Size num_nodes);
  TenANeighborGraph( TenANeighborGraph const & source );
  TenANeighborGraph & operator = ( TenANeighborGraph const & source );

  virtual
  Distance
  neighbor_cutoff() const;

  virtual
  void
  conditionally_add_edge(
    Size lower_node_id,
    Size upper_node_id,
    DistanceSquared dsq
  );

  virtual
  ContextGraphOP
  clone() const;

  virtual
  void update_from_pose(
    pose::Pose const & pose
  );

  virtual void delete_edge( graph::Edge * edge );


protected:

  virtual Size count_static_memory() const;
  virtual Size count_dynamic_memory() const;

  virtual graph::Node * create_new_node( Size node_index );
  virtual graph::Edge * create_new_edge( Size index1, Size index2);
  virtual graph::Edge * create_new_edge( graph::Edge const * example_edge );

private:
  static Distance const tenA_;
  static DistanceSquared const tenA_squared_;

  boost::unordered_object_pool< TenANeighborEdge > * tenA_edge_pool_;

};

} // scoring
} // core

#endif