protocols::simple_filters::ChiWellRmsdEvaluator Class Reference

#include <ChiWellRmsdEvaluator.hh>

Inheritance diagram for protocols::simple_filters::ChiWellRmsdEvaluator:

Public Member Functions
	ChiWellRmsdEvaluator (core::pose::PoseCOP, core::Size nchi_max, core::Real sasa_threshold, std::string column_tag)
	ChiWellRmsdEvaluator (core::pose::PoseCOP, core::Size nchi_max, core::Real sasa_threshold, utility::vector1< core::Size > const &selection, std::string column_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 Attributes
core::pose::PoseCOP	rmsd_pose_
core::scoring::ResidueSelection	selection_
core::Size	nchi_max_
core::Real	sasa_threshold_
std::string	tag_

Constructor & Destructor Documentation

protocols::simple_filters::ChiWellRmsdEvaluator::ChiWellRmsdEvaluator	(	core::pose::PoseCOP	pose,
		core::Size	nchi_max,
		core::Real	sasa_threshold,
		std::string	column_tag
	)

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

protocols::simple_filters::ChiWellRmsdEvaluator::ChiWellRmsdEvaluator	(	core::pose::PoseCOP	pose,
		core::Size	nchi_max,
		core::Real	sasa_threshold,
		utility::vector1< core::Size > const &	selection,
		std::string	column_tag
	)

References selection_.

Member Function Documentation

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

overridevirtual

evaluate pose

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

References core::pose::metrics::StructureDependentCalculator::get(), protocols::jd2::get_current_jobs_starting_pose(), protocols::mean_field::min(), nchi_max_, core::pose::Pose::residue(), rmsd_pose_, rot(), core::pack::dunbrack::rotamer_from_chi(), sasa_threshold_, selection_, tag_, protocols::analysis::total, and protocols::simple_filters::tr().

Member Data Documentation

core::Size protocols::simple_filters::ChiWellRmsdEvaluator::nchi_max_

private

Referenced by apply().

core::pose::PoseCOP protocols::simple_filters::ChiWellRmsdEvaluator::rmsd_pose_

private

Referenced by apply().

core::Real protocols::simple_filters::ChiWellRmsdEvaluator::sasa_threshold_

private

Referenced by apply().

core::scoring::ResidueSelection protocols::simple_filters::ChiWellRmsdEvaluator::selection_

private

Referenced by apply(), and ChiWellRmsdEvaluator().

std::string protocols::simple_filters::ChiWellRmsdEvaluator::tag_

private

Referenced by apply().

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

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