protocols::comparative_modeling::Align_RotamerEvaluator Class Reference

#include <Align_RotamerEvaluator.hh>

Inheritance diagram for protocols::comparative_modeling::Align_RotamerEvaluator:

Public Member Functions
	Align_RotamerEvaluator (core::pose::PoseCOP native_pose, std::string tag="rot_", core::Real const chi_dev=30, core::sequence::SequenceAlignmentOP aln=nullptr)
	~Align_RotamerEvaluator () override
void	apply (core::pose::Pose &pose, std::string tag, core::io::silent::SilentStruct &ss) const override
	evaluate pose and store values in Silent_Struct More...
core::Real	apply (core::pose::Pose &) const override
	evaluate pose More...
core::Real	chi_dev () const
Public Member Functions inherited from protocols::evaluation::AlignEvaluator
	AlignEvaluator (core::pose::PoseCOP native_pose, std::string tag="", bool report_aln_components=true, core::sequence::SequenceAlignmentOP aln=nullptr)
	~AlignEvaluator () override
core::Real	apply (core::pose::Pose &) const override
	outdated method - don't use! More...
core::sequence::SequenceAlignmentOP	get_alignment (core::pose::Pose const &pose) const
void	report_aln_components (bool const setting)
bool	report_aln_components () const
std::string	tag () const
core::pose::PoseCOP	native_pose () const
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	native_pose_
std::string	tag_
core::Real	chi_dev_
core::sequence::SequenceAlignmentOP	aln_

Constructor & Destructor Documentation

protocols::comparative_modeling::Align_RotamerEvaluator::Align_RotamerEvaluator	(	core::pose::PoseCOP	native_pose,
		std::string	tag = "rot_",
		core::Real const	chi_dev = 30,
		core::sequence::SequenceAlignmentOP	aln = nullptr
	)

protocols::comparative_modeling::Align_RotamerEvaluator::~Align_RotamerEvaluator ( )

overridedefault

Member Function Documentation

void protocols::comparative_modeling::Align_RotamerEvaluator::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::AlignEvaluator.

References core::io::silent::SilentStruct::add_energy(), core::pose::Pose::chi(), chi_dev(), protocols::evaluation::AlignEvaluator::get_alignment(), protocols::evaluation::AlignEvaluator::native_pose(), core::pose::Pose::residue(), core::pack::dunbrack::rotamer_from_chi(), protocols::evaluation::SingleValuePoseEvaluator< core::Real >::size(), core::pose::Pose::size(), protocols::evaluation::AlignEvaluator::tag(), and protocols::comparative_modeling::tr().

core::Real protocols::comparative_modeling::Align_RotamerEvaluator::apply ( core::pose::Pose &  ) const

inlineoverridevirtual

evaluate pose

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

core::Real protocols::comparative_modeling::Align_RotamerEvaluator::chi_dev

(

)

const

References chi_dev_.

Referenced by apply().

Member Data Documentation

core::sequence::SequenceAlignmentOP protocols::comparative_modeling::Align_RotamerEvaluator::aln_

private

core::Real protocols::comparative_modeling::Align_RotamerEvaluator::chi_dev_

private

Referenced by chi_dev().

core::pose::PoseCOP protocols::comparative_modeling::Align_RotamerEvaluator::native_pose_

private

std::string protocols::comparative_modeling::Align_RotamerEvaluator::tag_

private

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

• src/protocols/comparative_modeling/Align_RotamerEvaluator.hh
• src/protocols/comparative_modeling/Align_RotamerEvaluator.cc