FixedBBInteractionGraph.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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/// @file   core/pack/interaction_graph/FixedBBInteractionGraph.hh
/// @brief  Interaction graph base class for fixed-backbone packing
/// @author Andrew Leaver-Fay (leaverfa@email.unc.edu)


#ifndef INCLUDED_core_pack_interaction_graph_FixedBBInteractionGraph_hh
#define INCLUDED_core_pack_interaction_graph_FixedBBInteractionGraph_hh

// Unit Headers
#include <core/pack/interaction_graph/FixedBBInteractionGraph.fwd.hh>

// Package Headers
#include <core/pack/interaction_graph/InteractionGraphBase.hh>

/// This layer of abstraction between the InteractionGraphBase and the
/// various fixed-backbone interaction graphs is primarily to allow
/// outside users to READ from an interaction graph -- to grab data
/// that the interaction graph stores.  This is not so much for the
/// writing of information -- in particular, edge energies -- to an
/// interaction graph.

namespace core {
namespace pack {
namespace interaction_graph {

class FixedBBNode : public NodeBase
{
public:
  virtual ~FixedBBNode() {}

  FixedBBNode(
    InteractionGraphBase * owner,
    int node_id,
    int num_states)
  :
    NodeBase( owner, node_id, num_states )
  {}

};

class FixedBBEdge : public EdgeBase
{
public:
  virtual ~FixedBBEdge() {}

  FixedBBEdge(
    InteractionGraphBase* owner,
    int first_node_ind,
    int second_node_ind)
  :
    EdgeBase( owner, first_node_ind, second_node_ind )
  {}

  virtual
  void set_sparse_aa_info(ObjexxFCL::FArray2_bool const & sparse_conn_info) = 0;

  virtual
  bool get_sparse_aa_info( int node1aa, int node2aa) const = 0;

  virtual
  void force_aa_neighbors(int node1aa, int node2aa) = 0;

  virtual
  void force_all_aa_neighbors() = 0;

  virtual core::PackerEnergy get_two_body_energy( int const, int const ) const = 0;

};

class FixedBBInteractionGraph : public InteractionGraphBase
{
public:
  virtual ~FixedBBInteractionGraph() {}
  FixedBBInteractionGraph( int num_nodes )
  :
    InteractionGraphBase( num_nodes )
  {}

  //virtual void set_num_aatypes( int ) = 0;
  virtual int get_num_aatypes() const = 0;

  virtual
  bool
  aa_submatrix_energies_retrievable() const;

  virtual
  int aatype_for_node_state(
    int node_ind,
    int node_state
  ) const;

  virtual
  ObjexxFCL::FArray2D< core::PackerEnergy >
  get_aa_submatrix_energies_for_edge(
    int node1,
    int node2,
    int node1aa,
    int node2aa
  ) const;

  /// @brief interface to PDEdge::set_sparse_aa_info
  void set_sparse_aa_info_for_edge
  (
    int node1,
    int node2,
    ObjexxFCL::FArray2_bool const & sparse_conn_info
  );

  /// @brief returns true if node1aa and node2aa are amino acid neighbors
  bool get_sparse_aa_info_for_edge
  (
    int node1,
    int node2,
    int node1aa,
    int node2aa
  );

  /// @brief interface to FixedBBEdge::force_aa_neighbors
  void force_aa_neighbors_for_edge
  (
    int node1,
    int node2,
    int node1aa,
    int node2aa
  );

  /// @brief interface to PDEdge::force_aa_neighbors
  void force_all_aa_neighbors_for_edge
  (
    int node1,
    int node2
  );


  /// @brief interface to FixedBBEdge::get_two_body_energy
  ///  - returns the state pair energy
  virtual core::PackerEnergy get_two_body_energy_for_edge
  (
    int node1,
    int node2,
    int state_node1,
    int state_node2
  ) const;

protected:
  /// Downcasts

  inline FixedBBNode const * get_fixedbb_node( int node_index ) const;
  inline FixedBBNode       * get_fixedbb_node( int node_index );
  inline FixedBBEdge const * get_fixedbb_edge( int node1, int node2 ) const;
  inline FixedBBEdge       * get_fixedbb_edge( int node1, int node2 );

};

inline
FixedBBNode const * FixedBBInteractionGraph::get_fixedbb_node( int node_index ) const
{
  return static_cast< FixedBBNode const * > (get_node( node_index ));
}

inline
FixedBBNode       * FixedBBInteractionGraph::get_fixedbb_node( int node_index )
{
  return static_cast< FixedBBNode * > (get_node( node_index ));
}

inline
FixedBBEdge const * FixedBBInteractionGraph::get_fixedbb_edge( int node1, int node2 ) const
{
  return static_cast< FixedBBEdge const * > (find_edge( node1, node2 ));
}

inline
FixedBBEdge       * FixedBBInteractionGraph::get_fixedbb_edge( int node1, int node2 )
{
  return static_cast< FixedBBEdge * > (find_edge( node1, node2 ));
}

} //end namespace interaction_graph
} //end namespace pack
} //end namespace core

#endif