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core::conformation::UltraLightResidue Class Reference

#include <UltraLightResidue.hh>

Inheritance diagram for core::conformation::UltraLightResidue:
Inheritance graph
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Public Member Functions

 UltraLightResidue (ResidueCOP residue)
 
void update_conformation (Conformation &conformation) const
 update conformation with current coords. Slow. More...
 
void transform (numeric::xyzMatrix< core::Real > const &rotation_matrix, core::Vector const &translation_vector)
 
void transform (numeric::xyzMatrix< core::Real > const &rotation_matrix, core::Vector const &translation_vector, core::Vector group_center)
 
void align_to_residue (UltraLightResidue const &other_residue)
 
void slide (core::Vector const &translation_vector)
 
PointPositionoperator[] (core::Size index)
 
PointPosition const & operator[] (core::Size index) const
 
ResidueCOP residue () const
 return a constant pointer to the base residue More...
 
core::Size natoms () const
 return number of atoms in ultralight residue More...
 
PointPosition center () const
 get centerpoint of residue More...
 
core::Real max_dist_to_center () const
 Return the maximum distance from any atom to the center. More...
 
void set_coords (utility::vector1< PointPosition > const &input_coords)
 get const ref to residue coords More...
 
utility::vector1
< PointPosition > const & 
coords_vector () const
 get const ref to residue coords More...
 
utility::vector1
< PointPosition > const & 
heavy_coords_vector () const
 get const ref to residue heavy atom coords More...
 

Private Member Functions

 UltraLightResidue ()
 

Private Attributes

utility::vector1< id::AtomIDatom_ids_
 
utility::vector1< PointPositioncoords_
 
utility::vector1< PointPositionheavy_coords_
 
ResidueCOP residue_
 
PointPosition center_
 

Constructor & Destructor Documentation

core::conformation::UltraLightResidue::UltraLightResidue ( ResidueCOP  residue)
core::conformation::UltraLightResidue::UltraLightResidue ( )
private

Member Function Documentation

void core::conformation::UltraLightResidue::align_to_residue ( UltraLightResidue const &  other_residue)
PointPosition core::conformation::UltraLightResidue::center ( ) const
inline
utility::vector1<PointPosition> const& core::conformation::UltraLightResidue::coords_vector ( ) const
inline

get const ref to residue coords

References coords_.

Referenced by align_to_residue().

utility::vector1<PointPosition> const& core::conformation::UltraLightResidue::heavy_coords_vector ( ) const
inline

get const ref to residue heavy atom coords

References heavy_coords_.

core::Real core::conformation::UltraLightResidue::max_dist_to_center ( ) const

Return the maximum distance from any atom to the center.

References center_, and coords_.

core::Size core::conformation::UltraLightResidue::natoms ( ) const
inline
PointPosition& core::conformation::UltraLightResidue::operator[] ( core::Size  index)
inline

References coords_.

PointPosition const& core::conformation::UltraLightResidue::operator[] ( core::Size  index) const
inline

References coords_.

ResidueCOP core::conformation::UltraLightResidue::residue ( ) const
inline
void core::conformation::UltraLightResidue::set_coords ( utility::vector1< PointPosition > const &  input_coords)
inline

get const ref to residue coords

References coords_.

void core::conformation::UltraLightResidue::slide ( core::Vector const &  translation_vector)
void core::conformation::UltraLightResidue::transform ( numeric::xyzMatrix< core::Real > const &  rotation_matrix,
core::Vector const &  translation_vector 
)
void core::conformation::UltraLightResidue::transform ( numeric::xyzMatrix< core::Real > const &  rotation_matrix,
core::Vector const &  translation_vector,
core::Vector  group_center 
)
void core::conformation::UltraLightResidue::update_conformation ( Conformation conformation) const

Member Data Documentation

utility::vector1<id::AtomID> core::conformation::UltraLightResidue::atom_ids_
private
PointPosition core::conformation::UltraLightResidue::center_
private
utility::vector1<PointPosition > core::conformation::UltraLightResidue::coords_
private
utility::vector1<PointPosition > core::conformation::UltraLightResidue::heavy_coords_
private
ResidueCOP core::conformation::UltraLightResidue::residue_
private

Referenced by residue(), and UltraLightResidue().


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