protocols::constraints_additional::ConstraintEvaluator Class Reference

#include <ConstraintEvaluator.hh>

Inheritance diagram for protocols::constraints_additional::ConstraintEvaluator:

Collaboration diagram for protocols::constraints_additional::ConstraintEvaluator:

Public Member Functions
	ConstraintEvaluator (std::string tag, core::scoring::constraints::ConstraintSet const &, Size viol_level=0, core::Real threshold=1.0, Size max_seq_sep=0)
	ConstraintEvaluator (std::string tag, core::scoring::constraints::ConstraintCOPs const &, Size viol_level=0, core::Real threshold=1.0, Size max_seq_sep=0)
	ConstraintEvaluator (std::string tag, std::string filename, Size viol_level=0, core::Real threshold=1.0, Size max_seq_sep=0)
virtual void	apply (core::pose::Pose &pose, std::string tag, core::io::silent::SilentStruct &pss) const
	evaluate pose and store values in Silent_Struct More...
virtual core::Real	apply (core::pose::Pose &pose) const
virtual core::Size	size () const
virtual std::string	name (core::Size i) const
void	set_combine_ratio (core::Size setting)
void	set_cst_source (std::string const &tag)
Public Member Functions inherited from protocols::evaluation::PoseEvaluator
	PoseEvaluator ()
virtual	~PoseEvaluator ()
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_
Size	viol_level_
core::Real	threshold_
Size	max_seq_sep_
Size	constraints_combine_ratio_
std::string	cst_source_

Detailed Description

Definition at line 61 of file ConstraintEvaluator.hh.

Constructor & Destructor Documentation

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

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

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

Definition at line 97 of file ConstraintEvaluator.cc.

References protocols::swa::rna::file_exists(), and file_name_.

Member Function Documentation

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

virtual

evaluate pose and store values in Silent_Struct

Implements protocols::evaluation::PoseEvaluator.

Definition at line 215 of file ConstraintEvaluator.cc.

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

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

virtual

Definition at line 189 of file ConstraintEvaluator.cc.

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

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

virtual

Implements protocols::evaluation::PoseEvaluator.

Definition at line 207 of file ConstraintEvaluator.cc.

References name_.

Referenced by apply().

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

private

Definition at line 116 of file ConstraintEvaluator.cc.

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

Referenced by apply().

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

inline

Definition at line 81 of file ConstraintEvaluator.hh.

References constraints_combine_ratio_.

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

inline

Definition at line 84 of file ConstraintEvaluator.hh.

References cst_source_.

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

inlinevirtual

Implements protocols::evaluation::PoseEvaluator.

Definition at line 78 of file ConstraintEvaluator.hh.

Member Data Documentation

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

mutableprivate

Definition at line 93 of file ConstraintEvaluator.hh.

Referenced by prepare_pose().

Size protocols::constraints_additional::ConstraintEvaluator::constraints_combine_ratio_

private

Definition at line 101 of file ConstraintEvaluator.hh.

Referenced by prepare_pose(), and set_combine_ratio().

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

private

Definition at line 102 of file ConstraintEvaluator.hh.

Referenced by apply(), and set_cst_source().

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

mutableprivate

Definition at line 94 of file ConstraintEvaluator.hh.

Referenced by prepare_pose().

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

private

Definition at line 97 of file ConstraintEvaluator.hh.

Referenced by ConstraintEvaluator(), and prepare_pose().

Size protocols::constraints_additional::ConstraintEvaluator::max_seq_sep_

private

Definition at line 100 of file ConstraintEvaluator.hh.

Referenced by prepare_pose().

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

private

Definition at line 92 of file ConstraintEvaluator.hh.

Referenced by name().

core::Real protocols::constraints_additional::ConstraintEvaluator::threshold_

private

Definition at line 99 of file ConstraintEvaluator.hh.

bool protocols::constraints_additional::ConstraintEvaluator::tried_centroid_pose_

mutableprivate

Definition at line 96 of file ConstraintEvaluator.hh.

Referenced by prepare_pose().

bool protocols::constraints_additional::ConstraintEvaluator::tried_fullatom_pose_

mutableprivate

Definition at line 95 of file ConstraintEvaluator.hh.

Referenced by prepare_pose().

Size protocols::constraints_additional::ConstraintEvaluator::viol_level_

private

Definition at line 98 of file ConstraintEvaluator.hh.

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

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