Rosetta 3.4
Public Types | Public Member Functions | Protected Member Functions
core::pack::interaction_graph::OnTheFlyNode Class Reference

#include <OnTheFlyInteractionGraph.hh>

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

List of all members.

Public Types

typedef std::pair< Vector, RealBoundingSphere

Public Member Functions

 OnTheFlyNode (InteractionGraphBase *owner, int node_id, int num_states)
 main constructor, no default or copy constructors
virtual ~OnTheFlyNode ()
void set_rotamers (rotamer_set::RotamerSetCOP rotamers)
virtual void zero_one_body_energies ()
virtual void add_to_one_body_energies (ObjexxFCL::FArray1< core::PackerEnergy > &energy1b)
virtual void update_one_body_energy (int state, core::PackerEnergy energy)
virtual void set_one_body_energy (int state, core::PackerEnergy energy)
virtual void add_to_one_body_energy (int state, core::PackerEnergy energy)
virtual void zero_one_body_energy (int state)
int get_num_aa_types () const
utility::vector1< int > & get_num_states_for_aa_types ()
utility::vector1< int > const & get_num_states_for_aa_types () const
int get_num_states_for_aa_type (int aa_type)
SparseMatrixIndex const & get_sparse_mat_info_for_state (int state) const
int get_state_offset_for_aatype (int aatype) const
core::PackerEnergy get_one_body_energy (int state) const
bool distinguish_backbone_and_sidechain () const
void distinguish_backbone_and_sidechain (bool setting)
virtual unsigned int count_static_memory () const =0
virtual unsigned int count_dynamic_memory () const
core::PackerEnergy compute_rotamer_pair_energy (int edge_making_energy_request, int state_this, int state_other) const

Protected Member Functions

OnTheFlyEdgeget_incident_otf_edge (int edge)
OnTheFlyEdge const * get_incident_otf_edge (int edge) const
OnTheFlyNodeget_adjacent_otf_node (int index)
OnTheFlyNode const * get_adjacent_otf_node (int index) const
OnTheFlyInteractionGraphget_on_the_fly_owner ()
OnTheFlyInteractionGraph const * get_on_the_fly_owner () const
conformation::Residue const & get_rotamer (int state) const
BoundingSphere const & sc_bounding_sphere (int state) const
BoundingSphere const & bb_bounding_sphere () const

Member Typedef Documentation


Constructor & Destructor Documentation

core::pack::interaction_graph::OnTheFlyNode::OnTheFlyNode ( InteractionGraphBase owner,
int  node_id,
int  num_states 
)

main constructor, no default or copy constructors

Detailed:
core::pack::interaction_graph::OnTheFlyNode::~OnTheFlyNode ( ) [virtual]

Member Function Documentation

virtual void core::pack::interaction_graph::OnTheFlyNode::add_to_one_body_energies ( ObjexxFCL::FArray1< core::PackerEnergy > &  energy1b) [virtual]
void core::pack::interaction_graph::OnTheFlyNode::add_to_one_body_energy ( int  state,
core::PackerEnergy  energy 
) [virtual]
BoundingSphere const& core::pack::interaction_graph::OnTheFlyNode::bb_bounding_sphere ( ) const [inline, protected]
core::PackerEnergy core::pack::interaction_graph::OnTheFlyNode::compute_rotamer_pair_energy ( int  edge_making_energy_request,
int  state_this,
int  state_other 
) const

References core::conformation::Residue::aa(), core::chemical::aa_pro, core::scoring::EMapVector::dot(), core::pack::interaction_graph::EdgeBase::edge_weight(), core::scoring::ScoreFunction::eval_cd_2b(), core::scoring::ScoreFunction::eval_cd_2b_bb_sc(), core::scoring::ScoreFunction::eval_cd_2b_sc_sc(), core::scoring::ScoreFunction::eval_ci_2b(), core::scoring::ScoreFunction::eval_ci_2b_bb_sc(), core::scoring::ScoreFunction::eval_ci_2b_sc_sc(), core::scoring::eval_scsc_sr2b_energies(), core::pack::interaction_graph::OnTheFlyEdge::eval_type(), get_adjacent_otf_node(), core::pack::interaction_graph::NodeBase::get_incident_edge(), get_incident_otf_edge(), core::pack::interaction_graph::NodeBase::get_index_of_adjacent_node(), core::pack::interaction_graph::NodeBase::get_node_index(), get_on_the_fly_owner(), get_rotamer(), core::scoring::ScoreFunction::long_range_energies_begin(), core::scoring::ScoreFunction::long_range_energies_end(), core::pack::interaction_graph::OnTheFlyEdge::long_range_interactions_exist(), core::pack::interaction_graph::OnTheFlyInteractionGraph::note_rpe_calculated(), core::pack::interaction_graph::OnTheFlyInteractionGraph::pose(), sc_bounding_sphere(), core::pack::interaction_graph::sc_sc, core::pack::interaction_graph::sc_whole, core::pack::interaction_graph::OnTheFlyInteractionGraph::score_function(), core::pack::interaction_graph::OnTheFlyEdge::short_range_interactions_exist(), core::scoring::ScoreFunction::weights(), core::pack::interaction_graph::whole_sc, and core::pack::interaction_graph::whole_whole.

Referenced by core::pack::interaction_graph::LinearMemNode::compute_pair_energy_for_alternate_state(), core::pack::interaction_graph::LinearMemNode::compute_pair_energy_for_current_state(), core::pack::interaction_graph::LazyNode::compute_pair_energy_for_current_state(), core::pack::interaction_graph::DoubleLazyNode::compute_pair_energy_for_current_state(), core::pack::interaction_graph::LazyEdge::get_aa_submatrix_energies(), core::pack::interaction_graph::DoubleLazyEdge::get_aa_submatrix_energies(), core::pack::interaction_graph::LazyEdge::get_two_body_energy(), and core::pack::interaction_graph::DoubleLazyEdge::get_two_body_energy_smi().

unsigned int core::pack::interaction_graph::OnTheFlyNode::count_dynamic_memory ( ) const [virtual]

reports the amount of dynamic memory this node allocates recursing to its base class

Reimplemented from core::pack::interaction_graph::NodeBase.

Reimplemented in core::pack::interaction_graph::DoubleLazyNode, core::pack::interaction_graph::LazyNode, and core::pack::interaction_graph::LinearMemNode.

virtual unsigned int core::pack::interaction_graph::OnTheFlyNode::count_static_memory ( ) const [pure virtual]
void core::pack::interaction_graph::OnTheFlyNode::distinguish_backbone_and_sidechain ( bool  setting)
bool core::pack::interaction_graph::OnTheFlyNode::distinguish_backbone_and_sidechain ( ) const [inline]
OnTheFlyNode * core::pack::interaction_graph::OnTheFlyNode::get_adjacent_otf_node ( int  index) [inline, protected]
OnTheFlyNode const * core::pack::interaction_graph::OnTheFlyNode::get_adjacent_otf_node ( int  index) const [inline, protected]
OnTheFlyEdge const * core::pack::interaction_graph::OnTheFlyNode::get_incident_otf_edge ( int  edge) const [inline, protected]
OnTheFlyEdge * core::pack::interaction_graph::OnTheFlyNode::get_incident_otf_edge ( int  edge) [inline, protected]
int core::pack::interaction_graph::OnTheFlyNode::get_num_aa_types ( ) const [inline]
int core::pack::interaction_graph::OnTheFlyNode::get_num_states_for_aa_type ( int  aa_type) [inline]
utility::vector1< int >& core::pack::interaction_graph::OnTheFlyNode::get_num_states_for_aa_types ( ) [inline]
utility::vector1< int > const& core::pack::interaction_graph::OnTheFlyNode::get_num_states_for_aa_types ( ) const [inline]
OnTheFlyInteractionGraph * core::pack::interaction_graph::OnTheFlyNode::get_on_the_fly_owner ( ) [inline, protected]
OnTheFlyInteractionGraph const * core::pack::interaction_graph::OnTheFlyNode::get_on_the_fly_owner ( ) const [inline, protected]
core::PackerEnergy core::pack::interaction_graph::OnTheFlyNode::get_one_body_energy ( int  state) const [inline]
conformation::Residue const& core::pack::interaction_graph::OnTheFlyNode::get_rotamer ( int  state) const [inline, protected]
SparseMatrixIndex const& core::pack::interaction_graph::OnTheFlyNode::get_sparse_mat_info_for_state ( int  state) const [inline]
int core::pack::interaction_graph::OnTheFlyNode::get_state_offset_for_aatype ( int  aatype) const [inline]
BoundingSphere const& core::pack::interaction_graph::OnTheFlyNode::sc_bounding_sphere ( int  state) const [inline, protected]
void core::pack::interaction_graph::OnTheFlyNode::set_one_body_energy ( int  state,
core::PackerEnergy  energy 
) [virtual]
void core::pack::interaction_graph::OnTheFlyNode::set_rotamers ( rotamer_set::RotamerSetCOP  rotamers)
void core::pack::interaction_graph::OnTheFlyNode::update_one_body_energy ( int  state,
core::PackerEnergy  energy 
) [virtual]
void core::pack::interaction_graph::OnTheFlyNode::zero_one_body_energies ( ) [virtual]
void core::pack::interaction_graph::OnTheFlyNode::zero_one_body_energy ( int  state) [virtual]

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