core::scoring::packing::HolesParams Class Reference

#include <HolesParams.hh>

Collaboration diagram for core::scoring::packing::HolesParams:

Public Member Functions
	HolesParams ()
	HolesParams (std::string fname)
void	read_data_file (std::string fname)
core::Real	nb_weight (core::Size const at, char const ss) const
core::Real	sa_weight (core::Size const at, char const ss, core::Size sa) const
core::Real	intercept (core::Size const at, char const ss) const
core::Real	intercept () const
core::Size	max_atom_types () const
bool	sep_ss (core::Size at) const
bool	have_params (core::Size const at, char const ss) const

Private Types
typedef std::pair< core::Size, char >	Key

Private Attributes
core::Size const	max_atom_types_
std::map< Key, utility::vector1< core::Real > >	sa_weights_
std::map< Key, core::Real >	nb_weights_
std::map< Key, core::Real >	intercepts_
utility::vector1< bool >	sep_ss_
core::Real	intercept_

Friends
std::ostream &	operator<< (std::ostream &out, HolesParams const &hp)

Detailed Description

Definition at line 38 of file HolesParams.hh.

Member Typedef Documentation

typedef std::pair< core::Size, char > core::scoring::packing::HolesParams::Key

private

Definition at line 40 of file HolesParams.hh.

Constructor & Destructor Documentation

core::scoring::packing::HolesParams::HolesParams ( )

inline

Definition at line 44 of file HolesParams.hh.

core::scoring::packing::HolesParams::HolesParams ( std::string  fname)

inline

Definition at line 48 of file HolesParams.hh.

References read_data_file().

Member Function Documentation

bool core::scoring::packing::HolesParams::have_params ( core::Size const  at, char const  ss  ) const

inline

Definition at line 111 of file HolesParams.hh.

References sa_weights_.

Referenced by core::scoring::packing::compute_holes_deriv(), and core::scoring::packing::compute_smooth_nb_deriv().

core::Real core::scoring::packing::HolesParams::intercept ( core::Size const  at, char const  ss  ) const

inline

Definition at line 105 of file HolesParams.hh.

References intercepts_.

Referenced by core::scoring::packing::compute_holes_deriv(), core::scoring::packing::compute_holes_score(), and core::scoring::packing::compute_rosettaholes_score().

core::Real core::scoring::packing::HolesParams::intercept ( ) const

inline

Definition at line 106 of file HolesParams.hh.

References intercept_.

core::Size core::scoring::packing::HolesParams::max_atom_types ( ) const

inline

Definition at line 108 of file HolesParams.hh.

References max_atom_types_.

core::Real core::scoring::packing::HolesParams::nb_weight ( core::Size const  at, char const  ss  ) const

inline

Definition at line 103 of file HolesParams.hh.

References nb_weights_.

Referenced by core::scoring::packing::compute_holes_deriv(), core::scoring::packing::compute_holes_score(), core::scoring::packing::compute_rosettaholes_score(), and core::scoring::packing::compute_smooth_nb_deriv().

void core::scoring::packing::HolesParams::read_data_file ( std::string  fname)

inline

Definition at line 53 of file HolesParams.hh.

References core::io::serialization::at(), intercept_, intercepts_, nb_weights_, sa_weights_, and sep_ss_.

Referenced by core::scoring::packing::compute_dec15_score(), core::scoring::packing::compute_holes_score(), core::scoring::packing::compute_rosettaholes_score(), core::scoring::packing::HolesEnergy::HolesEnergy(), and HolesParams().

core::Real core::scoring::packing::HolesParams::sa_weight ( core::Size const  at, char const  ss, core::Size  sa  ) const

inline

Definition at line 104 of file HolesParams.hh.

References core::scoring::sa, and sa_weights_.

Referenced by core::scoring::packing::compute_holes_deriv(), core::scoring::packing::compute_holes_score(), and core::scoring::packing::compute_rosettaholes_score().

bool core::scoring::packing::HolesParams::sep_ss ( core::Size  at) const

inline

Definition at line 109 of file HolesParams.hh.

References core::io::serialization::at(), and sep_ss_.

Friends And Related Function Documentation

std::ostream& operator<< ( std::ostream &  out, HolesParams const &  hp  )

friend

Definition at line 117 of file HolesParams.hh.

Member Data Documentation

core::Real core::scoring::packing::HolesParams::intercept_

private

Definition at line 140 of file HolesParams.hh.

Referenced by intercept(), and read_data_file().

std::map<Key,core::Real> core::scoring::packing::HolesParams::intercepts_

private

Definition at line 138 of file HolesParams.hh.

Referenced by intercept(), and read_data_file().

core::Size const core::scoring::packing::HolesParams::max_atom_types_

private

Definition at line 135 of file HolesParams.hh.

Referenced by max_atom_types().

std::map<Key,core::Real> core::scoring::packing::HolesParams::nb_weights_

private

Definition at line 137 of file HolesParams.hh.

Referenced by nb_weight(), and read_data_file().

std::map<Key,utility::vector1<core::Real> > core::scoring::packing::HolesParams::sa_weights_

private

Definition at line 136 of file HolesParams.hh.

Referenced by have_params(), read_data_file(), and sa_weight().

utility::vector1<bool> core::scoring::packing::HolesParams::sep_ss_

private

Definition at line 139 of file HolesParams.hh.

Referenced by read_data_file(), and sep_ss().

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

• src/core/scoring/packing/HolesParams.hh