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

#include <HolesParams.hh>

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)

Member Typedef Documentation

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

private

Constructor & Destructor Documentation

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

inline

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

inline

References read_data_file().

Member Function Documentation

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

inline

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

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

References intercept_.

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

inline

References max_atom_types_.

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

inline

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

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

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

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

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

Friends And Related Function Documentation

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

friend

Member Data Documentation

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

private

Referenced by intercept(), and read_data_file().

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

private

Referenced by intercept(), and read_data_file().

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

private

Referenced by max_atom_types().

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

private

Referenced by nb_weight(), and read_data_file().

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

private

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

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

private

Referenced by read_data_file(), and sep_ss().

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

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