protocols::comparative_modeling::Align_RotamerEvaluator Class Reference

#include <Align_RotamerEvaluator.hh>

Inheritance diagram for protocols::comparative_modeling::Align_RotamerEvaluator:

Collaboration 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=0)
	~Align_RotamerEvaluator ()
virtual void	apply (core::pose::Pose &pose, std::string tag, core::io::silent::SilentStruct &ss) const
	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...
virtual core::Real	apply (core::pose::Pose &) const
	outdated method - don't use! 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=0)
	~AlignEvaluator ()
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 name)
virtual bool	applicable (core::pose::Pose const &) const
virtual core::Size	size () const
virtual std::string	name (core::Size) const
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...

Private Attributes
core::pose::PoseCOP	native_pose_
std::string	tag_
core::Real	chi_dev_
core::sequence::SequenceAlignmentOP	aln_

Detailed Description

Definition at line 32 of file Align_RotamerEvaluator.hh.

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 = 0
	)

Definition at line 42 of file Align_RotamerEvaluator.cc.

protocols::comparative_modeling::Align_RotamerEvaluator::~Align_RotamerEvaluator

(

)

Definition at line 40 of file Align_RotamerEvaluator.cc.

Member Function Documentation

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

virtual

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.

Implements protocols::evaluation::AlignEvaluator.

Definition at line 89 of file Align_RotamerEvaluator.cc.

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::AlignEvaluator::tag(), core::pose::Pose::total_residue(), and protocols::comparative_modeling::tr().

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

inlinevirtual

outdated method - don't use!

Reimplemented from protocols::evaluation::AlignEvaluator.

Definition at line 50 of file Align_RotamerEvaluator.hh.

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

(

)

const

Definition at line 159 of file Align_RotamerEvaluator.cc.

References chi_dev_.

Referenced by apply().

Member Data Documentation

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

private

Definition at line 62 of file Align_RotamerEvaluator.hh.

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

private

Definition at line 61 of file Align_RotamerEvaluator.hh.

Referenced by chi_dev().

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

private

Definition at line 59 of file Align_RotamerEvaluator.hh.

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

private

Definition at line 60 of file Align_RotamerEvaluator.hh.

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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