Rosetta  2020.37
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Public Member Functions | Private Attributes | List of all members
protocols::loop_grower::DensSkeleton Class Reference

#include <DensSkeleton.hh>

Public Member Functions

 DensSkeleton ()
 
 DensSkeleton (std::string filename, core::Real mapreso, core::Real gridspace)
 
void load_density (std::string filename, core::Real mapreso, core::Real gridspace)
 
utility::vector1
< utility::vector1
< numeric::xyzVector< int > > > 
breadth_first_connect (numeric::xyzVector< int > const &start_point, numeric::xyzVector< int >const &end_point, core::Real max_length, bool &hit_max, core::Size max_que=1e5)
 
utility::vector1
< utility::vector1
< numeric::xyzVector< int > > > 
breadth_first_connect (numeric::xyzVector< core::Real > const &start_cart, numeric::xyzVector< core::Real > const &end_cart, core::Real max_length, core::Size maxque, bool &hit_max, core::Size max_grid)
 
core::Real shortest_path (utility::vector1< utility::vector1< numeric::xyzVector< int > > > paths)
 
numeric::xyzVector< int > find_closest_occupied_point (numeric::xyzVector< core::Real >const &coord, core::Size max_grid)
 
core::Real shortest_path_bfs (numeric::xyzVector< core::Real >const &start, numeric::xyzVector< core::Real >const &end, core::Real max_length, core::Size max_que, bool hit_max, core::Size max_grid)
 
bool has_density ()
 
std::map< core::Size,
numeric::xyzVector< int > > 
assign_neighbors (numeric::xyzVector< int > point)
 
bool breaks_skeleton (utility::vector1< numeric::xyzVector< int > > accepted_points, std::map< core::Size, numeric::xyzVector< int > > neighbors)
 
core::Real path_length (utility::vector1< numeric::xyzVector< int > > path, numeric::xyzVector< int > end_point)
 
core::scoring::electron_density::ElectronDensity
const & 
get_density () const
 
core::Real matchAtomFast (core::Size resid, core::Size atomid, core::conformation::Residue &res, core::pose::Pose &pose)
 

Private Attributes

bool density_loaded_
 
core::scoring::electron_density::ElectronDensity density_
 

Constructor & Destructor Documentation

protocols::loop_grower::DensSkeleton::DensSkeleton ( )
inline
protocols::loop_grower::DensSkeleton::DensSkeleton ( std::string  filename,
core::Real  mapreso,
core::Real  gridspace 
)
inline

Member Function Documentation

std::map< core::Size, numeric::xyzVector< int > > protocols::loop_grower::DensSkeleton::assign_neighbors ( numeric::xyzVector< int >  point)
utility::vector1< utility::vector1< numeric::xyzVector< int > > > protocols::loop_grower::DensSkeleton::breadth_first_connect ( numeric::xyzVector< int > const &  start_point,
numeric::xyzVector< int >const &  end_point,
core::Real  max_length,
bool hit_max,
core::Size  max_que = 1e5 
)
utility::vector1< utility::vector1< numeric::xyzVector< int > > > protocols::loop_grower::DensSkeleton::breadth_first_connect ( numeric::xyzVector< core::Real > const &  start_cart,
numeric::xyzVector< core::Real > const &  end_cart,
core::Real  max_length,
core::Size  maxque,
bool hit_max,
core::Size  max_grid 
)
bool protocols::loop_grower::DensSkeleton::breaks_skeleton ( utility::vector1< numeric::xyzVector< int > >  accepted_points,
std::map< core::Size, numeric::xyzVector< int > >  neighbors 
)
numeric::xyzVector< int > protocols::loop_grower::DensSkeleton::find_closest_occupied_point ( numeric::xyzVector< core::Real >const &  coord,
core::Size  max_grid 
)
core::scoring::electron_density::ElectronDensity const& protocols::loop_grower::DensSkeleton::get_density ( ) const
inline

References density_.

bool protocols::loop_grower::DensSkeleton::has_density ( )
inline

References density_loaded_.

void protocols::loop_grower::DensSkeleton::load_density ( std::string  filename,
core::Real  mapreso,
core::Real  gridspace 
)
inline
core::Real protocols::loop_grower::DensSkeleton::matchAtomFast ( core::Size  resid,
core::Size  atomid,
core::conformation::Residue res,
core::pose::Pose pose 
)
core::Real protocols::loop_grower::DensSkeleton::path_length ( utility::vector1< numeric::xyzVector< int > >  path,
numeric::xyzVector< int >  end_point 
)
core::Real protocols::loop_grower::DensSkeleton::shortest_path ( utility::vector1< utility::vector1< numeric::xyzVector< int > > >  paths)
core::Real protocols::loop_grower::DensSkeleton::shortest_path_bfs ( numeric::xyzVector< core::Real >const &  start,
numeric::xyzVector< core::Real >const &  end,
core::Real  max_length,
core::Size  max_que,
bool  hit_max,
core::Size  max_grid 
)

Member Data Documentation

core::scoring::electron_density::ElectronDensity protocols::loop_grower::DensSkeleton::density_
private
bool protocols::loop_grower::DensSkeleton::density_loaded_
private

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