#include <FragmentRmsd.hh>

Inheritance diagram for core::fragment::FragmentRmsd:

Public Member Functions
	~FragmentRmsd () override
	Automatically generated virtual destructor for class deriving directly from VirtualBase. More...

	FragmentRmsd (FragSetCOP fragments)

FragDataCOP	fragment (core::Size position, core::Size k) const
	Returns the kth fragment at the specified position in the fragment library. More...

core::Real	rmsd (core::Size position, core::Size k, const core::pose::Pose &reference) const
	Returns the RMSD of the kth fragment at the specified position in the fragment library and pose. More...

Protected Member Functions
FrameCOP	frame (core::Size position) const
	Returns the position'th frame in the fragment library. More...

Private Types
typedef boost::unordered_map< core::Size, FrameCOP >	FrameMap

Private Attributes
FragSetCOP	fragments_
	Input fragment library. More...

FrameMap	frames_
	Position-indexable collection of fragments. More...

Member Typedef Documentation

◆ FrameMap

typedef boost::unordered_map<core::Size, FrameCOP > core::fragment::FragmentRmsd::FrameMap

private

Constructor & Destructor Documentation

◆ ~FragmentRmsd()

core::fragment::FragmentRmsd::~FragmentRmsd ( )

overridedefault

Automatically generated virtual destructor for class deriving directly from VirtualBase.

Auto-generated virtual destructor

◆ FragmentRmsd()

core::fragment::FragmentRmsd::FragmentRmsd ( FragSetCOP fragments )

References fragments_, frame(), and frames_.

Member Function Documentation

◆ fragment()

FragDataCOP core::fragment::FragmentRmsd::fragment	(	core::Size	position,
		core::Size	k
	)		const

Returns the kth fragment at the specified position in the fragment library.

References frame().

◆ frame()

FrameCOP core::fragment::FragmentRmsd::frame ( core::Size position ) const

protected

Returns the position'th frame in the fragment library.

References frames_.

Referenced by fragment(), FragmentRmsd(), and rmsd().

◆ rmsd()

core::Real core::fragment::FragmentRmsd::rmsd	(	core::Size	position,
		core::Size	k,
		const core::pose::Pose &	reference
	)		const

Returns the RMSD of the kth fragment at the specified position in the fragment library and pose.

References core::scoring::CA_rmsd(), core::chemical::CENTROID, frame(), core::pose::make_pose_from_sequence(), and core::pose::Pose::sequence().

Member Data Documentation

◆ fragments_

FragSetCOP core::fragment::FragmentRmsd::fragments_

private

Input fragment library.

Referenced by FragmentRmsd().

◆ frames_

FrameMap core::fragment::FragmentRmsd::frames_

mutableprivate

Position-indexable collection of fragments.

Referenced by FragmentRmsd(), and frame().

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

src/core/fragment/FragmentRmsd.hh
src/core/fragment/FragmentRmsd.cc

Public Member Functions

Protected Member Functions

Private Types

Private Attributes