core::scoring::MinimizationNode Class Reference

#include <MinimizationGraph.hh>

Public Types
typedef graph::Node	parent
typedef utility::vector1 < OneBodyEnergyCOP >	OneBodyEnergies
typedef OneBodyEnergies::const_iterator	OneBodyEnergiesIterator
typedef utility::vector1 < TwoBodyEnergyCOP >	TwoBodyEnergies
typedef TwoBodyEnergies::const_iterator	TwoBodyEnergiesIterator
typedef conformation::Residue	Residue
typedef pose::Pose	Pose
Public Types inherited from core::graph::Node
typedef EdgeListIterator	EdgeListIter
typedef EdgeListConstIterator	EdgeListConstIter

Public Member Functions
	MinimizationNode (graph::Graph *owner, Size index)
virtual	~MinimizationNode ()
virtual void	copy_from (parent const *source)
	copy mmember data from source node More...
virtual void	print () const
	send summaray data about this node to the screen More...
virtual Size	count_static_memory () const
	memory accounting scheme More...
virtual Size	count_dynamic_memory () const
	memory accounting scheme More...
ResSingleMinimizationData const &	res_min_data () const
ResSingleMinimizationData &	res_min_data ()
bool	add_onebody_enmeth (OneBodyEnergyCOP enmeth, Residue const &rsd, Pose const &pose, int domain_map_color)
bool	add_twobody_enmeth (TwoBodyEnergyCOP enmeth, Residue const &rsd, Pose const &pose, EnergyMap const &weights, int domain_map_color)
void	setup_for_minimizing (Residue const &rsd, Pose const &pose, ScoreFunction const &sfxn, kinematics::MinimizerMapBase const &min_map)
void	setup_for_scoring (Residue const &rsd, Pose const &pose, ScoreFunction const &sfxn)
void	setup_for_derivatives (Residue const &rsd, pose::Pose const &pose, ScoreFunction const &sfxn)
void	update_active_enmeths_for_residue (Residue const &rsd, pose::Pose const &pose, EnergyMap const &weights, int domain_map_color)
Real	weight () const
void	weight (Real setting)
Real	dweight () const
void	dweight (Real setting)
OneBodyEnergiesIterator	active_1benmeths_begin () const
OneBodyEnergiesIterator	active_1benmeths_end () const
OneBodyEnergiesIterator	active_1benmeths_std_begin () const
OneBodyEnergiesIterator	active_1benmeths_std_end () const
OneBodyEnergiesIterator	active_1benmeths_ext_begin () const
OneBodyEnergiesIterator	active_1benmeths_ext_end () const
OneBodyEnergiesIterator	dof_deriv_1benmeths_begin () const
OneBodyEnergiesIterator	dof_deriv_1benmeths_end () const
OneBodyEnergiesIterator	sfs_req_1benmeths_begin () const
OneBodyEnergiesIterator	sfs_req_1benmeths_end () const
OneBodyEnergiesIterator	sfd_req_1benmeths_begin () const
OneBodyEnergiesIterator	sfd_req_1benmeths_end () const
TwoBodyEnergiesIterator	active_intrares2benmeths_begin () const
TwoBodyEnergiesIterator	active_intrares2benmeths_end () const
TwoBodyEnergiesIterator	active_intrares2benmeths_std_begin () const
TwoBodyEnergiesIterator	active_intrares2benmeths_std_end () const
TwoBodyEnergiesIterator	active_intrares2benmeths_ext_begin () const
TwoBodyEnergiesIterator	active_intrares2benmeths_ext_end () const
TwoBodyEnergiesIterator	dof_deriv_2benmeths_begin () const
TwoBodyEnergiesIterator	dof_deriv_2benmeths_end () const
TwoBodyEnergiesIterator	sfs_req_2benmeths_begin () const
TwoBodyEnergiesIterator	sfs_req_2benmeths_end () const
TwoBodyEnergiesIterator	sfd_req_2benmeths_begin () const
TwoBodyEnergiesIterator	sfd_req_2benmeths_end () const
Public Member Functions inherited from core::graph::Node
virtual	~Node ()
	virtual destructor More...
	Node (Graph *, platform::Size node_id)
	Main constructor, no default constructor nor copy constructor. More...
void	add_edge (Edge *edge_ptr, EdgeListIter &)
	adds edge pointer to edge list; returns an iterator to the new list element More...
void	drop_edge (EdgeListIter edge_iterator)
	removes an edge iterator from the node's edge list. Only called by Edge class. More...
void	drop_all_edges ()
	deletes all edges incident upon this node More...
void	set_num_neighbors_counting_self_static (platform::Size neighbor)
Edge const *	find_edge (platform::Size other_node_index) const
	a "slow" (linear) search for an edge. More...
Edge *	find_edge (platform::Size other_node_index)
	non-const edge finding method; changes no data, but returns a non-const pointer More...
EdgeListIter	edge_list_begin ()
	returns a non-const iterator to the beginning of its edge list More...
EdgeListConstIter	const_edge_list_begin () const
	returns a const iterator to the beginning of its edge list More...
EdgeListIter	edge_list_end ()
	returns a non-const iterator to the end of its edge list More...
EdgeListConstIter	const_edge_list_end () const
	returns a const iterator to the end of its edge list More...
EdgeListIter	lower_edge_list_begin ()
	returns a non-const iterator to the beginning of its lower-edge list More...
EdgeListConstIter	const_lower_edge_list_begin () const
	returns a const iterator to the beginning of its lower-edge list More...
EdgeListIter	lower_edge_list_end ()
	returns a non-const iterator to the end of its lower-edge list More...
EdgeListConstIter	const_lower_edge_list_end () const
	returns a const iterator to the end of its lower-edge list More...
EdgeListIter	upper_edge_list_begin ()
	returns a non-const iterator to the beginning of its upper-edge list More...
EdgeListConstIter	const_upper_edge_list_begin () const
	returns a const iterator to the beginning of its upper-edge list More...
EdgeListIter	upper_edge_list_end ()
	returns a non-const iterator to the end of its upper-edge list More...
EdgeListConstIter	const_upper_edge_list_end () const
	returns a const iterator to the end of its upper-edge list More...
platform::Size	get_node_index () const
	the index for this node More...
platform::Size	num_edges () const
	the number of edges incident on this node, which may include a loop edge More...
platform::Size	num_neighbors_counting_self () const
	the number of neighbors counting "self" as a neighbor. More...
platform::Size	num_neighbors_counting_self_static () const
	the number of neighbors counting "self" as neighbor. Defaults to num_neighbors_counting_self() but can be set to other values as well. Useful in calculation of symmetrical structures. More...
platform::Size	get_num_edges_to_smaller_indexed_nodes () const
	the number of lower neighbors More...
platform::Size	get_num_edges_to_larger_indexed_nodes () const
	the number of upper neighbors – which "self" neighborness is counted if a loop edge is present More...
bool	loop_incident () const
	NOTE TO SELF: remove loop support. More...

Public Attributes
	__pad0__:OneBodyEnergyCOP OneBodyEnergyCOP
	__pad1__:TwoBodyEnergyCOP TwoBodyEnergyCOP

Private Member Functions
void	add_active_1benmeth_std (OneBodyEnergyCOP enmeth)
void	add_active_1benmeth_ext (OneBodyEnergyCOP enmeth)
void	add_dof_deriv_1benmeth (OneBodyEnergyCOP enmeth)
void	add_sfs_1benmeth (OneBodyEnergyCOP enmeth)
void	add_sfd_1benmeth (OneBodyEnergyCOP enmeth)
void	add_active_2benmeth_std (TwoBodyEnergyCOP enmeth)
void	add_active_2benmeth_ext (TwoBodyEnergyCOP enmeth)
void	add_dof_deriv_2benmeth (TwoBodyEnergyCOP enmeth)
void	add_sfs_2benmeth (TwoBodyEnergyCOP enmeth)
void	add_sfd_2benmeth (TwoBodyEnergyCOP enmeth)
bool	classify_onebody_enmeth (OneBodyEnergyCOP enmeth, Residue const &rsd, Pose const &pose, int domain_map_color)
bool	classify_twobody_enmeth (TwoBodyEnergyCOP enmeth, Residue const &rsd, Pose const &pose, EnergyMap const &weights, int domain_map_color)

Private Attributes
ResSingleMinimizationData	res_min_data_
OneBodyEnergies	onebody_enmeths_
OneBodyEnergies	active_1benmeths_
OneBodyEnergies	active_1benmeths_std_
OneBodyEnergies	active_1benmeths_ext_
OneBodyEnergies	dof_deriv_1benmeths_
OneBodyEnergies	sfs_req_1benmeths_
OneBodyEnergies	sfd_req_1benmeths_
TwoBodyEnergies	twobody_enmeths_
TwoBodyEnergies	active_intrares2benmeths_
TwoBodyEnergies	active_intrares2benmeths_std_
TwoBodyEnergies	active_intrares2benmeths_ext_
TwoBodyEnergies	dof_deriv_2benmeths_
TwoBodyEnergies	sfs_req_2benmeths_
TwoBodyEnergies	sfd_req_2benmeths_
Real	weight_
Real	dweight_

Additional Inherited Members
Protected Member Functions inherited from core::graph::Node
Graph *	get_owner () const
	derived class access to the owner More...

Detailed Description

Class MinimizationNode holds the ResSingleMinimizationData information for a single residue in a Pose which is being minimized. The data held in this node will be used in both scoring the residue one-body energies and evaluating atom derivatives during minimization.

Member Typedef Documentation

typedef utility::vector1< OneBodyEnergyCOP > core::scoring::MinimizationNode::OneBodyEnergies

typedef OneBodyEnergies::const_iterator core::scoring::MinimizationNode::OneBodyEnergiesIterator

typedef graph::Node core::scoring::MinimizationNode::parent

typedef pose::Pose core::scoring::MinimizationNode::Pose

typedef conformation::Residue core::scoring::MinimizationNode::Residue

typedef utility::vector1< TwoBodyEnergyCOP > core::scoring::MinimizationNode::TwoBodyEnergies

typedef TwoBodyEnergies::const_iterator core::scoring::MinimizationNode::TwoBodyEnergiesIterator

Constructor & Destructor Documentation

core::scoring::MinimizationNode::MinimizationNode	(	graph::Graph *	owner,
		Size	index
	)

Referenced by count_static_memory().

core::scoring::MinimizationNode::~MinimizationNode ( )

virtual

Member Function Documentation

MinimizationNode::OneBodyEnergiesIterator core::scoring::MinimizationNode::active_1benmeths_begin

(

)

const

References active_1benmeths_.

Referenced by core::scoring::eval_atom_derivatives_for_minnode(), and setup_for_minimizing().

MinimizationNode::OneBodyEnergiesIterator core::scoring::MinimizationNode::active_1benmeths_end

(

)

const

References active_1benmeths_.

Referenced by core::scoring::eval_atom_derivatives_for_minnode(), and setup_for_minimizing().

MinimizationNode::OneBodyEnergiesIterator core::scoring::MinimizationNode::active_1benmeths_ext_begin

(

)

const

References active_1benmeths_ext_.

Referenced by core::scoring::eval_res_onebody_energies_for_minnode(), and core::scoring::eval_weighted_res_onebody_energies_for_minnode().

MinimizationNode::OneBodyEnergiesIterator core::scoring::MinimizationNode::active_1benmeths_ext_end

(

)

const

References active_1benmeths_ext_.

Referenced by core::scoring::eval_res_onebody_energies_for_minnode(), and core::scoring::eval_weighted_res_onebody_energies_for_minnode().

MinimizationNode::OneBodyEnergiesIterator core::scoring::MinimizationNode::active_1benmeths_std_begin

(

)

const

References active_1benmeths_std_.

Referenced by core::scoring::eval_res_onebody_energies_for_minnode(), and core::scoring::eval_weighted_res_onebody_energies_for_minnode().

MinimizationNode::OneBodyEnergiesIterator core::scoring::MinimizationNode::active_1benmeths_std_end

(

)

const

References active_1benmeths_std_.

Referenced by core::scoring::eval_res_onebody_energies_for_minnode(), and core::scoring::eval_weighted_res_onebody_energies_for_minnode().

MinimizationNode::TwoBodyEnergiesIterator core::scoring::MinimizationNode::active_intrares2benmeths_begin

(

)

const

References active_intrares2benmeths_.

Referenced by core::scoring::eval_atom_derivatives_for_minnode().

MinimizationNode::TwoBodyEnergiesIterator core::scoring::MinimizationNode::active_intrares2benmeths_end

(

)

const

References active_intrares2benmeths_.

Referenced by core::scoring::eval_atom_derivatives_for_minnode().

MinimizationNode::TwoBodyEnergiesIterator core::scoring::MinimizationNode::active_intrares2benmeths_ext_begin

(

)

const

References active_intrares2benmeths_ext_.

Referenced by core::scoring::eval_res_onebody_energies_for_minnode(), and core::scoring::eval_weighted_res_onebody_energies_for_minnode().

MinimizationNode::TwoBodyEnergiesIterator core::scoring::MinimizationNode::active_intrares2benmeths_ext_end

(

)

const

References active_intrares2benmeths_ext_.

Referenced by core::scoring::eval_res_onebody_energies_for_minnode(), and core::scoring::eval_weighted_res_onebody_energies_for_minnode().

MinimizationNode::TwoBodyEnergiesIterator core::scoring::MinimizationNode::active_intrares2benmeths_std_begin

(

)

const

References active_intrares2benmeths_std_.

Referenced by core::scoring::eval_res_onebody_energies_for_minnode(), and core::scoring::eval_weighted_res_onebody_energies_for_minnode().

MinimizationNode::TwoBodyEnergiesIterator core::scoring::MinimizationNode::active_intrares2benmeths_std_end

(

)

const

References active_intrares2benmeths_std_.

Referenced by core::scoring::eval_res_onebody_energies_for_minnode(), and core::scoring::eval_weighted_res_onebody_energies_for_minnode().

void core::scoring::MinimizationNode::add_active_1benmeth_ext ( OneBodyEnergyCOP  enmeth )

private

References active_1benmeths_, and active_1benmeths_ext_.

Referenced by classify_onebody_enmeth().

void core::scoring::MinimizationNode::add_active_1benmeth_std ( OneBodyEnergyCOP  enmeth )

private

References active_1benmeths_, and active_1benmeths_std_.

Referenced by classify_onebody_enmeth().

void core::scoring::MinimizationNode::add_active_2benmeth_ext ( TwoBodyEnergyCOP  enmeth )

private

References active_intrares2benmeths_, and active_intrares2benmeths_ext_.

Referenced by classify_twobody_enmeth().

void core::scoring::MinimizationNode::add_active_2benmeth_std ( TwoBodyEnergyCOP  enmeth )

private

References active_intrares2benmeths_, and active_intrares2benmeths_std_.

Referenced by classify_twobody_enmeth().

void core::scoring::MinimizationNode::add_dof_deriv_1benmeth ( OneBodyEnergyCOP  enmeth )

private

References dof_deriv_1benmeths_.

Referenced by classify_onebody_enmeth().

void core::scoring::MinimizationNode::add_dof_deriv_2benmeth ( TwoBodyEnergyCOP  enmeth )

private

References dof_deriv_2benmeths_.

Referenced by classify_twobody_enmeth().

bool core::scoring::MinimizationNode::add_onebody_enmeth	(	OneBodyEnergyCOP	enmeth,
		Residue const &	rsd,
		Pose const &	pose,
		int	domain_map_color
	)

References classify_onebody_enmeth(), and onebody_enmeths_.

Referenced by core::scoring::ScoreFunction::setup_for_minimizing_for_node().

void core::scoring::MinimizationNode::add_sfd_1benmeth ( OneBodyEnergyCOP  enmeth )

private

References sfd_req_1benmeths_.

Referenced by classify_onebody_enmeth().

void core::scoring::MinimizationNode::add_sfd_2benmeth ( TwoBodyEnergyCOP  enmeth )

private

References sfd_req_2benmeths_.

Referenced by classify_twobody_enmeth().

void core::scoring::MinimizationNode::add_sfs_1benmeth ( OneBodyEnergyCOP  enmeth )

private

References sfs_req_1benmeths_.

Referenced by classify_onebody_enmeth().

void core::scoring::MinimizationNode::add_sfs_2benmeth ( TwoBodyEnergyCOP  enmeth )

private

References sfs_req_2benmeths_.

Referenced by classify_twobody_enmeth().

bool core::scoring::MinimizationNode::add_twobody_enmeth	(	TwoBodyEnergyCOP	enmeth,
		Residue const &	rsd,
		Pose const &	pose,
		EnergyMap const &	weights,
		int	domain_map_color
	)

Note that the minimization graph is used both to evaluate the scores for both the "modern" EnergyMethods and the "old" energy methods (those which still define eval_atom_derivative instead of the pairwise-decomposable derivative evaluation methods) so when these older energy methods are added to the minimization graph, they should not simply be rejected.

References classify_twobody_enmeth(), and twobody_enmeths_.

Referenced by core::scoring::ScoreFunction::setup_for_minimizing_for_node().

bool core::scoring::MinimizationNode::classify_onebody_enmeth ( OneBodyEnergyCOP  enmeth, Residue const &  rsd, Pose const &  pose, int  domain_map_color  )

private

References add_active_1benmeth_ext(), add_active_1benmeth_std(), add_dof_deriv_1benmeth(), add_sfd_1benmeth(), add_sfs_1benmeth(), and core::scoring::methods::cd_1b.

Referenced by add_onebody_enmeth(), and update_active_enmeths_for_residue().

bool core::scoring::MinimizationNode::classify_twobody_enmeth ( TwoBodyEnergyCOP  enmeth, Residue const &  rsd, Pose const &  pose, EnergyMap const &  weights, int  domain_map_color  )

private

References add_active_2benmeth_ext(), add_active_2benmeth_std(), add_dof_deriv_2benmeth(), add_sfd_2benmeth(), and add_sfs_2benmeth().

Referenced by add_twobody_enmeth(), and update_active_enmeths_for_residue().

void core::scoring::MinimizationNode::copy_from ( parent const *  source )

virtual

copy mmember data from source node

invoked by copy ctor and operator= methods from Graph base class

Reimplemented from core::graph::Node.

References active_1benmeths_, active_1benmeths_ext_, active_1benmeths_std_, active_intrares2benmeths_, active_intrares2benmeths_ext_, active_intrares2benmeths_std_, dof_deriv_1benmeths_, dof_deriv_2benmeths_, dweight_, onebody_enmeths_, res_min_data_, sfd_req_1benmeths_, sfd_req_2benmeths_, sfs_req_1benmeths_, sfs_req_2benmeths_, twobody_enmeths_, and weight_.

Size core::scoring::MinimizationNode::count_dynamic_memory ( ) const

virtual

memory accounting scheme

recursively descend through heirarchy accounting for heap memory usage. Each derived class in the heirarchy should recursively add the amount of dynamic memory its parent allocates by calling parent::count_dynamic_memory

Reimplemented from core::graph::Node.

References core::graph::Node::count_dynamic_memory().

Size core::scoring::MinimizationNode::count_static_memory ( ) const

virtual

memory accounting scheme

called on most-derived class. The most-derived class should NOT recursively call this method on its parent class. The sizeof function will handle the whole Node (or DerivedNode).

Reimplemented from core::graph::Node.

References MinimizationNode().

MinimizationNode::OneBodyEnergiesIterator core::scoring::MinimizationNode::dof_deriv_1benmeths_begin

(

)

const

References dof_deriv_1benmeths_.

Referenced by core::scoring::eval_dof_deriv_for_minnode(), and core::scoring::eval_weighted_dof_deriv_for_minnode().

MinimizationNode::OneBodyEnergiesIterator core::scoring::MinimizationNode::dof_deriv_1benmeths_end

(

)

const

References dof_deriv_1benmeths_.

Referenced by core::scoring::eval_dof_deriv_for_minnode(), and core::scoring::eval_weighted_dof_deriv_for_minnode().

MinimizationNode::TwoBodyEnergiesIterator core::scoring::MinimizationNode::dof_deriv_2benmeths_begin

(

)

const

References dof_deriv_2benmeths_.

Referenced by core::scoring::eval_dof_deriv_for_minnode(), and core::scoring::eval_weighted_dof_deriv_for_minnode().

MinimizationNode::TwoBodyEnergiesIterator core::scoring::MinimizationNode::dof_deriv_2benmeths_end

(

)

const

References dof_deriv_2benmeths_.

Referenced by core::scoring::eval_dof_deriv_for_minnode(), and core::scoring::eval_weighted_dof_deriv_for_minnode().

Real core::scoring::MinimizationNode::dweight ( ) const

inline

References dweight_.

void core::scoring::MinimizationNode::dweight ( Real  setting )

inline

References dweight_.

void core::scoring::MinimizationNode::print ( ) const

virtual

send summaray data about this node to the screen

virtual function to print node to standard out

Reimplemented from core::graph::Node.

References core::graph::Node::print().

ResSingleMinimizationData const& core::scoring::MinimizationNode::res_min_data ( ) const

inline

References res_min_data_.

Referenced by core::scoring::eval_atom_derivatives_for_minnode(), core::scoring::eval_dof_deriv_for_minnode(), core::scoring::eval_res_onebody_energies_for_minnode(), core::scoring::eval_weighted_dof_deriv_for_minnode(), and core::scoring::eval_weighted_res_onebody_energies_for_minnode().

ResSingleMinimizationData& core::scoring::MinimizationNode::res_min_data ( )

inline

References res_min_data_.

void core::scoring::MinimizationNode::setup_for_derivatives	(	Residue const &	rsd,
		pose::Pose const &	pose,
		ScoreFunction const &	sfxn
	)

References res_min_data_, sfd_req_1benmeths_begin(), sfd_req_1benmeths_end(), sfd_req_2benmeths_begin(), and sfd_req_2benmeths_end().

Referenced by core::pack::scmin::CartSCMinMultifunc::dfunc(), core::pack::scmin::SCMinMultifunc::dfunc(), and core::scoring::ScoreFunction::setup_for_derivatives().

void core::scoring::MinimizationNode::setup_for_minimizing	(	Residue const &	rsd,
		pose::Pose const &	pose,
		ScoreFunction const &	sfxn,
		kinematics::MinimizerMapBase const &	min_map
	)

References active_1benmeths_begin(), active_1benmeths_end(), res_min_data_, and twobody_enmeths_.

Referenced by core::scoring::ScoreFunction::reinitialize_minnode_for_residue(), and core::scoring::ScoreFunction::setup_for_minimizing_for_node().

void core::scoring::MinimizationNode::setup_for_scoring	(	Residue const &	rsd,
		pose::Pose const &	pose,
		ScoreFunction const &	sfxn
	)

References res_min_data_, sfs_req_1benmeths_begin(), sfs_req_1benmeths_end(), sfs_req_2benmeths_begin(), and sfs_req_2benmeths_end().

Referenced by core::pack::scmin::CartSCMinMultifunc::operator()(), and core::pack::scmin::SCMinMultifunc::operator()().

MinimizationNode::OneBodyEnergiesIterator core::scoring::MinimizationNode::sfd_req_1benmeths_begin

(

)

const

References sfd_req_1benmeths_.

Referenced by setup_for_derivatives().

MinimizationNode::OneBodyEnergiesIterator core::scoring::MinimizationNode::sfd_req_1benmeths_end

(

)

const

References sfd_req_1benmeths_.

Referenced by setup_for_derivatives().

MinimizationNode::TwoBodyEnergiesIterator core::scoring::MinimizationNode::sfd_req_2benmeths_begin

(

)

const

References sfd_req_2benmeths_.

Referenced by setup_for_derivatives().

MinimizationNode::TwoBodyEnergiesIterator core::scoring::MinimizationNode::sfd_req_2benmeths_end

(

)

const

References sfd_req_2benmeths_.

Referenced by setup_for_derivatives().

MinimizationNode::OneBodyEnergiesIterator core::scoring::MinimizationNode::sfs_req_1benmeths_begin

(

)

const

References sfs_req_1benmeths_.

Referenced by setup_for_scoring().

MinimizationNode::OneBodyEnergiesIterator core::scoring::MinimizationNode::sfs_req_1benmeths_end

(

)

const

References sfs_req_1benmeths_.

Referenced by setup_for_scoring().

MinimizationNode::TwoBodyEnergiesIterator core::scoring::MinimizationNode::sfs_req_2benmeths_begin

(

)

const

References sfs_req_2benmeths_.

Referenced by setup_for_scoring().

MinimizationNode::TwoBodyEnergiesIterator core::scoring::MinimizationNode::sfs_req_2benmeths_end

(

)

const

References sfs_req_2benmeths_.

Referenced by setup_for_scoring().

void core::scoring::MinimizationNode::update_active_enmeths_for_residue	(	Residue const &	rsd,
		pose::Pose const &	pose,
		EnergyMap const &	weights,
		int	domain_map_color
	)

References active_1benmeths_, active_1benmeths_ext_, active_1benmeths_std_, active_intrares2benmeths_, active_intrares2benmeths_ext_, active_intrares2benmeths_std_, classify_onebody_enmeth(), classify_twobody_enmeth(), dof_deriv_1benmeths_, dof_deriv_2benmeths_, onebody_enmeths_, sfd_req_1benmeths_, sfd_req_2benmeths_, sfs_req_1benmeths_, sfs_req_2benmeths_, and twobody_enmeths_.

Referenced by core::scoring::ScoreFunction::reinitialize_minnode_for_residue().

Real core::scoring::MinimizationNode::weight ( ) const

inline

References weight_.

Referenced by core::scoring::eval_weighted_dof_deriv_for_minnode(), and core::scoring::eval_weighted_res_onebody_energies_for_minnode().

void core::scoring::MinimizationNode::weight ( Real  setting )

inline

References weight_.

Member Data Documentation

core::scoring::MinimizationNode::__pad0__

core::scoring::MinimizationNode::__pad1__

OneBodyEnergies core::scoring::MinimizationNode::active_1benmeths_

private

Referenced by active_1benmeths_begin(), active_1benmeths_end(), add_active_1benmeth_ext(), add_active_1benmeth_std(), copy_from(), and update_active_enmeths_for_residue().

OneBodyEnergies core::scoring::MinimizationNode::active_1benmeths_ext_

private

Referenced by active_1benmeths_ext_begin(), active_1benmeths_ext_end(), add_active_1benmeth_ext(), copy_from(), and update_active_enmeths_for_residue().

OneBodyEnergies core::scoring::MinimizationNode::active_1benmeths_std_

private

Referenced by active_1benmeths_std_begin(), active_1benmeths_std_end(), add_active_1benmeth_std(), copy_from(), and update_active_enmeths_for_residue().

TwoBodyEnergies core::scoring::MinimizationNode::active_intrares2benmeths_

private

Referenced by active_intrares2benmeths_begin(), active_intrares2benmeths_end(), add_active_2benmeth_ext(), add_active_2benmeth_std(), copy_from(), and update_active_enmeths_for_residue().

TwoBodyEnergies core::scoring::MinimizationNode::active_intrares2benmeths_ext_

private

Referenced by active_intrares2benmeths_ext_begin(), active_intrares2benmeths_ext_end(), add_active_2benmeth_ext(), copy_from(), and update_active_enmeths_for_residue().

TwoBodyEnergies core::scoring::MinimizationNode::active_intrares2benmeths_std_

private

Referenced by active_intrares2benmeths_std_begin(), active_intrares2benmeths_std_end(), add_active_2benmeth_std(), copy_from(), and update_active_enmeths_for_residue().

OneBodyEnergies core::scoring::MinimizationNode::dof_deriv_1benmeths_

private

Referenced by add_dof_deriv_1benmeth(), copy_from(), dof_deriv_1benmeths_begin(), dof_deriv_1benmeths_end(), and update_active_enmeths_for_residue().

TwoBodyEnergies core::scoring::MinimizationNode::dof_deriv_2benmeths_

private

Referenced by add_dof_deriv_2benmeth(), copy_from(), dof_deriv_2benmeths_begin(), dof_deriv_2benmeths_end(), and update_active_enmeths_for_residue().

Real core::scoring::MinimizationNode::dweight_

private

Referenced by copy_from(), and dweight().

OneBodyEnergies core::scoring::MinimizationNode::onebody_enmeths_

private

Referenced by add_onebody_enmeth(), copy_from(), and update_active_enmeths_for_residue().

ResSingleMinimizationData core::scoring::MinimizationNode::res_min_data_

private

Referenced by copy_from(), res_min_data(), setup_for_derivatives(), setup_for_minimizing(), and setup_for_scoring().

OneBodyEnergies core::scoring::MinimizationNode::sfd_req_1benmeths_

private

Referenced by add_sfd_1benmeth(), copy_from(), sfd_req_1benmeths_begin(), sfd_req_1benmeths_end(), and update_active_enmeths_for_residue().

TwoBodyEnergies core::scoring::MinimizationNode::sfd_req_2benmeths_

private

Referenced by add_sfd_2benmeth(), copy_from(), sfd_req_2benmeths_begin(), sfd_req_2benmeths_end(), and update_active_enmeths_for_residue().

OneBodyEnergies core::scoring::MinimizationNode::sfs_req_1benmeths_

private

Referenced by add_sfs_1benmeth(), copy_from(), sfs_req_1benmeths_begin(), sfs_req_1benmeths_end(), and update_active_enmeths_for_residue().

TwoBodyEnergies core::scoring::MinimizationNode::sfs_req_2benmeths_

private

Referenced by add_sfs_2benmeth(), copy_from(), sfs_req_2benmeths_begin(), sfs_req_2benmeths_end(), and update_active_enmeths_for_residue().

TwoBodyEnergies core::scoring::MinimizationNode::twobody_enmeths_

private

Referenced by add_twobody_enmeth(), copy_from(), setup_for_minimizing(), and update_active_enmeths_for_residue().

Real core::scoring::MinimizationNode::weight_

private

Referenced by copy_from(), and weight().

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The documentation for this class was generated from the following files:

• src/core/scoring/MinimizationGraph.hh
• src/core/scoring/MinimizationGraph.cc