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Public Member Functions | Protected Member Functions | Private Types | Private Attributes | List of all members
core::fragment::FragmentRmsd Class Reference

#include <FragmentRmsd.hh>

Inheritance diagram for core::fragment::FragmentRmsd:
Inheritance graph
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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

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

Constructor & Destructor Documentation

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

Automatically generated virtual destructor for class deriving directly from VirtualBase.

Auto-generated virtual destructor

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

References fragments_, frame(), and frames_.

Member Function Documentation

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().

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().

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

FragSetCOP core::fragment::FragmentRmsd::fragments_
private

Input fragment library.

Referenced by FragmentRmsd().

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: