Rosetta 3.4
Public Member Functions
core::pack::interaction_graph::PrecomputedPairEnergiesInteractionGraph Class Reference

#include <PrecomputedPairEnergiesInteractionGraph.hh>

Inheritance diagram for core::pack::interaction_graph::PrecomputedPairEnergiesInteractionGraph:
Inheritance graph
[legend]
Collaboration diagram for core::pack::interaction_graph::PrecomputedPairEnergiesInteractionGraph:
Collaboration graph
[legend]

List of all members.

Public Member Functions

virtual ~PrecomputedPairEnergiesInteractionGraph ()
 PrecomputedPairEnergiesInteractionGraph (int num_nodes)
void add_to_two_body_energies_for_edge (int node1, int node2, ObjexxFCL::FArray2< core::PackerEnergy > const &res_res_energy_array)
 interface for 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)
 interface to PrecomputedPairEnergiesEdge::add_to_two_body_energies
void set_two_body_energy_for_edge (int node1, int node2, int state_node1, int state_node2, core::PackerEnergy const two_body_energy)
 interface to PDEdge::set_two_body_energy
void clear_two_body_energy_for_edge (int node1, int node2, int state_node1, int state_node2)
 interface to PDEdge::clear_two_body_energy
virtual void declare_edge_energies_final (int node1, int node2)
 call this if you're done storing energies in an edge - it will reduce the memory usage for that edge if possible

Constructor & Destructor Documentation

virtual core::pack::interaction_graph::PrecomputedPairEnergiesInteractionGraph::~PrecomputedPairEnergiesInteractionGraph ( ) [inline, virtual]
core::pack::interaction_graph::PrecomputedPairEnergiesInteractionGraph::PrecomputedPairEnergiesInteractionGraph ( int  num_nodes) [inline]

Member Function Documentation

void core::pack::interaction_graph::PrecomputedPairEnergiesInteractionGraph::add_to_two_body_energies_for_edge ( int  node1,
int  node2,
ObjexxFCL::FArray2< core::PackerEnergy > const &  res_res_energy_array 
)
void core::pack::interaction_graph::PrecomputedPairEnergiesInteractionGraph::add_to_two_body_energies_for_edge ( int  node1,
int  node2,
int  state_node1,
int  state_node2,
core::PackerEnergy const  two_body_energy 
)

interface to PrecomputedPairEnergiesEdge::add_to_two_body_energies

Parameters:
node1- [in] - the index of the smaller-indexed node
node2- [in] - the index of the larger-indexed node
state_node1- [in] - state on smaller-indexed node
state_node2- [in] - state on larger-indexed node
two_body_energy- [in] - the energy for this state pair

References core::pack::interaction_graph::PrecomputedPairEnergiesEdge::add_to_two_body_energy().

void core::pack::interaction_graph::PrecomputedPairEnergiesInteractionGraph::clear_two_body_energy_for_edge ( int  node1,
int  node2,
int  state_node1,
int  state_node2 
)

interface to PDEdge::clear_two_body_energy

Parameters:
node1- [in] - the index of the smaller-indexed node
node2- [in] - the index of the larger-indexed node
state_node1- [in] - state on smaller-indexed node
state_node2- [in] - state on larger-indexed node
Authors:
jk

References core::pack::interaction_graph::PrecomputedPairEnergiesEdge::set_two_body_energy().

void core::pack::interaction_graph::PrecomputedPairEnergiesInteractionGraph::declare_edge_energies_final ( int  node1,
int  node2 
) [virtual]

call this if you're done storing energies in an edge - it will reduce the memory usage for that edge if possible

Parameters:
node1- [in] - the index of the smaller-indexed node
node2- [in] - the index of the larger-indexed node

References core::pack::interaction_graph::EdgeBase::declare_energies_final().

void core::pack::interaction_graph::PrecomputedPairEnergiesInteractionGraph::set_two_body_energy_for_edge ( int  node1,
int  node2,
int  state_node1,
int  state_node2,
core::PackerEnergy const  two_body_energy 
)

interface to PDEdge::set_two_body_energy

Parameters:
node1- [in] - the index of the smaller-indexed node
node2- [in] - the index of the larger-indexed node
state_node1- [in] - state on smaller-indexed node
state_node2- [in] - state on larger-indexed node
two_body_energy- [in] - the energy for this state pair

References core::pack::interaction_graph::PrecomputedPairEnergiesEdge::set_two_body_energy().


The documentation for this class was generated from the following files:
 All Classes Namespaces Files Functions Variables Typedefs Enumerations Enumerator Friends Defines