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Public Member Functions | Private Member Functions | Private Attributes | List of all members
protocols::magnesium::SampleGrid Class Reference

#include <SampleGrid.hh>

Inheritance diagram for protocols::magnesium::SampleGrid:
Inheritance graph
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Public Member Functions

 SampleGrid (core::pose::Pose const &pose)
 
 ~SampleGrid () override
 
utility::vector1< core::Vectorget_mg_positions (core::pose::Pose const &pose)
 
void set_input_scan_res (utility::vector1< core::Size > const &setting)
 
utility::vector1< core::Sizeinput_scan_res () const
 
void set_tether_to_closest_res (bool const &setting)
 
bool tether_to_closest_res () const
 
void set_xyz_step (core::Real const &setting)
 
core::Real xyz_step () const
 
core::Real xmin () const
 
core::Real xmax () const
 
core::Real ymin () const
 
core::Real ymax () const
 
core::Real zmin () const
 
core::Real zmax () const
 

Private Member Functions

void figure_out_box_bounds (core::pose::Pose const &pose)
 
void create_grid ()
 
utility::vector1< core::Sizefigure_out_scan_res (utility::vector1< core::Size > const &input_scan_res, core::pose::Pose const &pose)
 
void define_bins (core::Real const x, core::Real const subgrid_radius, core::Real const xmin, core::Size const xgridsize, core::Real const xyz_increment, core::Size &xbinmin, core::Size &xbinmax) const
 
core::Real get_position (core::Size const xbin, core::Real const xmin, core::Real const xyz_increment) const
 

Private Attributes

bool tether_to_closest_res_
 
core::Real xyz_step_
 
core::Real xmax_
 
core::Real xmin_
 
core::Real ymax_
 
core::Real ymin_
 
core::Real zmax_
 
core::Real zmin_
 
utility::vector1< core::Sizeinput_scan_res_
 
utility::vector1< core::Sizescan_res_
 
ObjexxFCL::FArray3D< core::Realmin_distance_grid_
 

Constructor & Destructor Documentation

protocols::magnesium::SampleGrid::SampleGrid ( core::pose::Pose const &  pose)
protocols::magnesium::SampleGrid::~SampleGrid ( )
overridedefault

Member Function Documentation

void protocols::magnesium::SampleGrid::create_grid ( )
private
void protocols::magnesium::SampleGrid::define_bins ( core::Real const  x,
core::Real const  subgrid_radius,
core::Real const  xmin,
core::Size const  xgridsize,
core::Real const  xyz_increment,
core::Size xbinmin,
core::Size xbinmax 
) const
private
void protocols::magnesium::SampleGrid::figure_out_box_bounds ( core::pose::Pose const &  pose)
private
utility::vector1< core::Size > protocols::magnesium::SampleGrid::figure_out_scan_res ( utility::vector1< core::Size > const &  input_scan_res,
core::pose::Pose const &  pose 
)
private
utility::vector1< Vector > protocols::magnesium::SampleGrid::get_mg_positions ( core::pose::Pose const &  pose)
Real protocols::magnesium::SampleGrid::get_position ( core::Size const  xbin,
core::Real const  xmin,
core::Real const  xyz_increment 
) const
private
utility::vector1< core::Size > protocols::magnesium::SampleGrid::input_scan_res ( ) const
inline

References input_scan_res_.

void protocols::magnesium::SampleGrid::set_input_scan_res ( utility::vector1< core::Size > const &  setting)
inline
void protocols::magnesium::SampleGrid::set_tether_to_closest_res ( bool const &  setting)
inline
void protocols::magnesium::SampleGrid::set_xyz_step ( core::Real const &  setting)
inline
bool protocols::magnesium::SampleGrid::tether_to_closest_res ( ) const
inline
core::Real protocols::magnesium::SampleGrid::xmax ( ) const
inline
core::Real protocols::magnesium::SampleGrid::xmin ( ) const
inline
core::Real protocols::magnesium::SampleGrid::xyz_step ( ) const
inline

References xyz_step_.

core::Real protocols::magnesium::SampleGrid::ymax ( ) const
inline
core::Real protocols::magnesium::SampleGrid::ymin ( ) const
inline

References ymin_.

core::Real protocols::magnesium::SampleGrid::zmax ( ) const
inline
core::Real protocols::magnesium::SampleGrid::zmin ( ) const
inline

References zmin_.

Member Data Documentation

utility::vector1< core::Size > protocols::magnesium::SampleGrid::input_scan_res_
private
ObjexxFCL::FArray3D< core::Real > protocols::magnesium::SampleGrid::min_distance_grid_
private
utility::vector1< core::Size > protocols::magnesium::SampleGrid::scan_res_
private
bool protocols::magnesium::SampleGrid::tether_to_closest_res_
private
core::Real protocols::magnesium::SampleGrid::xmax_
private

Referenced by xmax().

core::Real protocols::magnesium::SampleGrid::xmin_
private

Referenced by xmin().

core::Real protocols::magnesium::SampleGrid::xyz_step_
private

Referenced by set_xyz_step(), and xyz_step().

core::Real protocols::magnesium::SampleGrid::ymax_
private

Referenced by ymax().

core::Real protocols::magnesium::SampleGrid::ymin_
private

Referenced by ymin().

core::Real protocols::magnesium::SampleGrid::zmax_
private

Referenced by zmax().

core::Real protocols::magnesium::SampleGrid::zmin_
private

Referenced by zmin().


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