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

#include <HolesParams.hh>

Public Member Functions
	HolesParams ()
	HolesParams (std::string fname)
void	init_atype_maps ()
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_
utility::vector1< core::Size >	holes2atype_
utility::vector1< core::Size >	atype2holes_

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

Member Typedef Documentation

Key

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

private

Constructor & Destructor Documentation

HolesParams() [1/2]

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

inline

References init_atype_maps().

HolesParams() [2/2]

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

inline

References init_atype_maps(), and read_data_file().

Member Function Documentation

have_params()

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

inline

References atype2holes_, and sa_weights_.

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

init_atype_maps()

void core::scoring::packing::HolesParams::init_atype_maps ( )

inline

References atype2holes_, and holes2atype_.

Referenced by HolesParams().

intercept() [1/2]

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

inline

References intercept_.

intercept() [2/2]

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

inline

References atype2holes_, and intercepts_.

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

max_atom_types()

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

inline

References max_atom_types_.

nb_weight()

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

inline

References atype2holes_, and 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().

read_data_file()

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

inline

References core::conformation::membrane::in, 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::energy_methods::HolesEnergy::HolesEnergy(), and HolesParams().

sa_weight()

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

inline

References atype2holes_, 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().

sep_ss()

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

inline

References atype2holes_, and sep_ss_.

Friends And Related Function Documentation

operator<<

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

friend

Member Data Documentation

atype2holes_

utility::vector1<core::Size> core::scoring::packing::HolesParams::atype2holes_

private

Referenced by have_params(), init_atype_maps(), intercept(), nb_weight(), sa_weight(), and sep_ss().

holes2atype_

utility::vector1<core::Size> core::scoring::packing::HolesParams::holes2atype_

private

Referenced by init_atype_maps().

intercept_

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

private

Referenced by intercept(), and read_data_file().

intercepts_

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

private

Referenced by intercept(), and read_data_file().

max_atom_types_

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

private

Referenced by max_atom_types().

nb_weights_

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

private

Referenced by nb_weight(), and read_data_file().

sa_weights_

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

private

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

sep_ss_

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

private

Referenced by read_data_file(), and sep_ss().

---

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

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