PrecomputedPairEnergiesInteractionGraph.hh

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// vi: set ts=2 noet:
//
// (c) Copyright Rosetta Commons Member Institutions.
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/// @file   core/pack/interaction_graph/PrecomputedPairEnergiesInteractionGraph.hh
/// @brief  Precomputed interaction graph class header
/// @author Andrew Leaver-Fay (leaverfa@email.unc.edu)


#ifndef INCLUDED_core_pack_interaction_graph_PrecomputedPairEnergiesInteractionGraph_hh
#define INCLUDED_core_pack_interaction_graph_PrecomputedPairEnergiesInteractionGraph_hh

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

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

// ObjexxFCL Headers

// Utility Headers

namespace core {
namespace pack {
namespace interaction_graph {

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

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

};

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

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

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

  virtual
  void add_to_two_body_energies( ObjexxFCL::FArray2< core::PackerEnergy > const & res_res_energy_array ) = 0;

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

  virtual
  void clear_two_body_energy(int const, int const) = 0;

};

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


  /// @brief interface for PrecomputedPairEnergiesEdge::add_to_two_body_energies
  void add_to_two_body_energies_for_edge
  (
    int node1,
    int node2,
    ObjexxFCL::FArray2< core::PackerEnergy > const & res_res_energy_array
  );

  /// @brief interface to PrecomputedPairEnergiesEdge::add_to_two_body_energies
  void add_to_two_body_energies_for_edge
  (
    int node1,
    int node2,
    int state_node1,
    int state_node2,
    core::PackerEnergy const two_body_energy
  );

  /// @brief interface to PDEdge::set_two_body_energy
  void set_two_body_energy_for_edge
  (
    int node1,
    int node2,
    int state_node1,
    int state_node2,
    core::PackerEnergy const two_body_energy
  );

  /// @brief interface to PDEdge::clear_two_body_energy
  void clear_two_body_energy_for_edge
  (
    int node1,
    int node2,
    int state_node1,
    int state_node2
  );

  virtual void declare_edge_energies_final(int node1, int node2);

};

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

#endif