protocols::simple_filters::SelectRDC_Evaluator Class Reference

#include <RDC_Evaluator.hh>

Inheritance diagram for protocols::simple_filters::SelectRDC_Evaluator:

Public Member Functions
	SelectRDC_Evaluator (core::scoring::ResidueSelection const &selection, std::string const &tag="", std::string const &file="")
	SelectRDC_Evaluator (utility::vector1< core::Size > const &selection, std::string const &tag="", std::string const &file="")
	SelectRDC_Evaluator (core::pose::PoseCOP, std::string tag="")
	SelectRDC_Evaluator (core::pose::Pose const &, std::string tag="")
core::Real	apply (core::pose::Pose &) const override
	evaluate pose More...
Public Member Functions inherited from protocols::evaluation::SingleValuePoseEvaluator< core::Real >
	SingleValuePoseEvaluator (std::string const &name="UNSPECIFIED_SingleValuePoseEvaluator")
void	apply (core::pose::Pose &, std::string tag, core::io::silent::SilentStruct &pss) const override
	evaluate pose and store values in Silent_Struct why is this specific to a specific type of SilentStruct? that seems needlessly pointless and overly constraining. More...
bool	applicable (core::pose::Pose const &) const override
core::Size	size () const override
std::string	name (core::Size) const override
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...

Private Member Functions
void	init_rdcs ()

Private Attributes
core::scoring::ResidueSelection	selection_
std::string	tag_
core::scoring::ResidualDipolarCouplingOP	rdc_data_
std::string	rdc_file_

Constructor & Destructor Documentation

protocols::simple_filters::SelectRDC_Evaluator::SelectRDC_Evaluator	(	core::scoring::ResidueSelection const &	selection,
		std::string const &	tag = "",
		std::string const &	file = ""
	)

protocols::simple_filters::SelectRDC_Evaluator::SelectRDC_Evaluator	(	utility::vector1< core::Size > const &	selection,
		std::string const &	tag = "",
		std::string const &	file = ""
	)

References init_rdcs(), and selection_.

protocols::simple_filters::SelectRDC_Evaluator::SelectRDC_Evaluator	(	core::pose::PoseCOP	pose,
		std::string	tag = ""
	)

References protocols::evaluation::find_existing_residues(), init_rdcs(), and selection_.

protocols::simple_filters::SelectRDC_Evaluator::SelectRDC_Evaluator	(	core::pose::Pose const &	pose,
		std::string	tag = ""
	)

References protocols::evaluation::find_existing_residues(), init_rdcs(), and selection_.

Member Function Documentation

Real protocols::simple_filters::SelectRDC_Evaluator::apply ( core::pose::Pose &  pose ) const

overridevirtual

evaluate pose

Implements protocols::evaluation::SingleValuePoseEvaluator< core::Real >.

References protocols::simple_filters::energy_evaluator, core::energy_methods::ResidualDipolarCouplingEnergy::eval_dipolar(), and rdc_data_.

void protocols::simple_filters::SelectRDC_Evaluator::init_rdcs ( )

private

References core::scoring::ResidualDipolarCoupling::get_RDC_data(), core::scoring::rdc, rdc_data_, rdc_file_, and selection_.

Referenced by SelectRDC_Evaluator().

Member Data Documentation

core::scoring::ResidualDipolarCouplingOP protocols::simple_filters::SelectRDC_Evaluator::rdc_data_

private

Referenced by apply(), and init_rdcs().

std::string protocols::simple_filters::SelectRDC_Evaluator::rdc_file_

private

Referenced by init_rdcs().

core::scoring::ResidueSelection protocols::simple_filters::SelectRDC_Evaluator::selection_

private

Referenced by init_rdcs(), and SelectRDC_Evaluator().

std::string protocols::simple_filters::SelectRDC_Evaluator::tag_

private

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

• src/protocols/simple_filters/RDC_Evaluator.hh
• src/protocols/simple_filters/RDC_Evaluator.cc