protocols::constraints_additional::ConstraintEvaluator Class Reference

#include <ConstraintEvaluator.hh>

Inheritance diagram for protocols::constraints_additional::ConstraintEvaluator:

Public Member Functions
	ConstraintEvaluator (std::string const &tag, core::scoring::constraints::ConstraintSet const &, core::Size viol_level=0, core::Real threshold=1.0, core::Size max_seq_sep=0)
	ConstraintEvaluator (std::string const &tag, core::scoring::constraints::ConstraintCOPs const &, core::Size viol_level=0, core::Real threshold=1.0, core::Size max_seq_sep=0)
	ConstraintEvaluator (std::string const &tag, std::string const &filename, core::Size viol_level=0, core::Real threshold=1.0, core::Size max_seq_sep=0)
void	apply (core::pose::Pose &pose, std::string tag, core::io::silent::SilentStruct &pss) const override
	evaluate pose and store values in Silent_Struct More...
virtual core::Real	apply (core::pose::Pose &pose) const
core::Size	size () const override
std::string	name (core::Size i) const override
void	set_combine_ratio (core::Size setting)
void	set_cst_source (std::string const &tag)
Public Member Functions inherited from protocols::evaluation::PoseEvaluator
	PoseEvaluator ()
	~PoseEvaluator () override=default
virtual void	apply (core::io::silent::SilentStruct &pss) const
	direct application to SilentStruct... default implementation makes pose and calls "apply", you can overload if you don't need the pose-step More...
virtual bool	applicable (core::pose::Pose const &) const

Private Member Functions
void	prepare_pose (core::pose::Pose const &pose_in, core::pose::Pose &pose) const

Private Attributes
std::string	name_
core::scoring::constraints::ConstraintSetOP	constraints_
core::scoring::constraints::ConstraintSetOP	fa_constraints_
bool	tried_fullatom_pose_
bool	tried_centroid_pose_
std::string	file_name_
core::Size	max_seq_sep_
core::Size	constraints_combine_ratio_
std::string	cst_source_

Constructor & Destructor Documentation

ConstraintEvaluator() [1/3]

protocols::constraints_additional::ConstraintEvaluator::ConstraintEvaluator	(	std::string const &	tag,
		core::scoring::constraints::ConstraintSet const &	,
		core::Size	viol_level = 0,
		core::Real	threshold = 1.0,
		core::Size	max_seq_sep = 0
	)

ConstraintEvaluator() [2/3]

protocols::constraints_additional::ConstraintEvaluator::ConstraintEvaluator	(	std::string const &	tag,
		core::scoring::constraints::ConstraintCOPs const &	,
		core::Size	viol_level = 0,
		core::Real	threshold = 1.0,
		core::Size	max_seq_sep = 0
	)

ConstraintEvaluator() [3/3]

protocols::constraints_additional::ConstraintEvaluator::ConstraintEvaluator	(	std::string const &	tag,
		std::string const &	filename,
		core::Size	viol_level = 0,
		core::Real	threshold = 1.0,
		core::Size	max_seq_sep = 0
	)

References file_name_.

Member Function Documentation

apply() [1/2]

Real protocols::constraints_additional::ConstraintEvaluator::apply ( core::pose::Pose &  pose ) const

virtual

References core::scoring::atom_pair_constraint, prepare_pose(), protocols::hybridization::score, and core::scoring::ScoreFunction::set_weight().

apply() [2/2]

void protocols::constraints_additional::ConstraintEvaluator::apply ( core::pose::Pose &  , std::string  tag, core::io::silent::SilentStruct &  pss  ) const

overridevirtual

evaluate pose and store values in Silent_Struct

Implements protocols::evaluation::PoseEvaluator.

References core::io::silent::SilentStruct::add_energy(), core::io::silent::SilentStruct::add_string_value(), core::scoring::atom_pair_constraint, cst_source_, name(), prepare_pose(), protocols::hybridization::score, and core::scoring::ScoreFunction::set_weight().

name()

std::string protocols::constraints_additional::ConstraintEvaluator::name ( core::Size  i ) const

overridevirtual

Implements protocols::evaluation::PoseEvaluator.

References name_.

Referenced by apply().

prepare_pose()

void protocols::constraints_additional::ConstraintEvaluator::prepare_pose ( core::pose::Pose const &  pose_in, core::pose::Pose &  pose  ) const

private

References core::scoring::constraints::choose_effective_sequence_separation(), core::scoring::constraints::combine_constraints(), core::pose::Pose::constraint_set(), constraints_, constraints_combine_ratio_, fa_constraints_, file_name_, core::pose::Pose::fold_tree(), core::pose::Pose::is_fullatom(), max_seq_sep_, protocols::toolbox::pose_manipulation::remove_chainbreaks_according_to_jumps(), tr(), tried_centroid_pose_, and tried_fullatom_pose_.

Referenced by apply().

set_combine_ratio()

void protocols::constraints_additional::ConstraintEvaluator::set_combine_ratio ( core::Size  setting )

inline

References constraints_combine_ratio_.

set_cst_source()

void protocols::constraints_additional::ConstraintEvaluator::set_cst_source ( std::string const &  tag )

inline

References cst_source_.

size()

core::Size protocols::constraints_additional::ConstraintEvaluator::size ( ) const

inlineoverridevirtual

Implements protocols::evaluation::PoseEvaluator.

Member Data Documentation

constraints_

core::scoring::constraints::ConstraintSetOP protocols::constraints_additional::ConstraintEvaluator::constraints_

mutableprivate

Referenced by prepare_pose().

constraints_combine_ratio_

core::Size protocols::constraints_additional::ConstraintEvaluator::constraints_combine_ratio_

private

Referenced by prepare_pose(), and set_combine_ratio().

cst_source_

std::string protocols::constraints_additional::ConstraintEvaluator::cst_source_

private

Referenced by apply(), and set_cst_source().

fa_constraints_

core::scoring::constraints::ConstraintSetOP protocols::constraints_additional::ConstraintEvaluator::fa_constraints_

mutableprivate

Referenced by prepare_pose().

file_name_

std::string protocols::constraints_additional::ConstraintEvaluator::file_name_

private

Referenced by ConstraintEvaluator(), and prepare_pose().

max_seq_sep_

core::Size protocols::constraints_additional::ConstraintEvaluator::max_seq_sep_

private

Referenced by prepare_pose().

name_

std::string protocols::constraints_additional::ConstraintEvaluator::name_

private

Referenced by name().

tried_centroid_pose_

bool protocols::constraints_additional::ConstraintEvaluator::tried_centroid_pose_

mutableprivate

Referenced by prepare_pose().

tried_fullatom_pose_

bool protocols::constraints_additional::ConstraintEvaluator::tried_fullatom_pose_

mutableprivate

Referenced by prepare_pose().

---

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

• src/protocols/constraints_additional/ConstraintEvaluator.hh
• src/protocols/constraints_additional/ConstraintEvaluator.cc