#include <SapDatabase.hh>

Inheritance diagram for core::pack::guidance_scoreterms::sap::SapDatabase:

Public Member Functions
utility::pointer::shared_ptr < std::unordered_map < std::string, BlockParam > const >	atomtype_to_block_param () const

Real	hydrophobic_weight (char aa) const

Real	max_sasa (char aa) const

std::pair< char, std::string >	get_name1_name3 (core::conformation::Residue const &res, bool warn) const

bool	symm_debug () const

Private Member Functions
	SapDatabase ()

void	load_block_data ()

void	load_hydrophobic_data ()

void	generate_max_sasa ()

Private Attributes
utility::pointer::shared_ptr < std::unordered_map < std::string, BlockParam > >	atomtype_to_block_param_

std::unordered_map< char, Real >	name1_to_hydrophobic_

std::unordered_map< char, Real >	name1_to_max_sasa_

bool	symm_debug_

Friends
class	utility::SingletonBase< SapDatabase >

class	::SapConstraintEnergyTests

Constructor & Destructor Documentation

core::pack::guidance_scoreterms::sap::SapDatabase::SapDatabase ( )

private

References generate_max_sasa(), load_block_data(), and load_hydrophobic_data().

Member Function Documentation

utility::pointer::shared_ptr< std::unordered_map< std::string, BlockParam > const > core::pack::guidance_scoreterms::sap::SapDatabase::atomtype_to_block_param ( ) const

References atomtype_to_block_param_.

Referenced by core::pack::guidance_scoreterms::sap::SapConstraintHelper::fill_block_params().

void core::pack::guidance_scoreterms::sap::SapDatabase::generate_max_sasa ( )

private

References core::conformation::Residue::atom_is_backbone(), core::pose::make_pose_from_sequence(), core::conformation::Residue::name1(), name1_to_max_sasa_, core::conformation::Residue::natoms(), core::pose::Pose::residue(), core::pack::guidance_scoreterms::sap::sap_atom_sasa(), core::pose::Pose::set_chi(), core::pose::Pose::set_omega(), core::pose::Pose::set_phi(), core::pose::Pose::set_psi(), and core::pose::Pose::size().

Referenced by SapDatabase().

std::pair< char, std::string > core::pack::guidance_scoreterms::sap::SapDatabase::get_name1_name3	(	core::conformation::Residue const &	res,
		bool	warn
	)		const

References core::conformation::Residue::aa(), core::chemical::get_L_equivalent(), core::chemical::ResidueTypeBase::is_d_aa(), core::chemical::ResidueTypeBase::is_l_aa(), core::conformation::Residue::name1(), name1_to_hydrophobic_, core::conformation::Residue::name3(), core::chemical::name_from_aa(), core::chemical::oneletter_code_from_aa(), core::conformation::Residue::seqpos(), core::pack::guidance_scoreterms::sap::TR(), and core::conformation::Residue::type().

Referenced by core::pack::guidance_scoreterms::sap::SapConstraintHelper::fill_block_params(), and core::pack::guidance_scoreterms::sap::SapConstraintHelper::set_accurate_sasa_and_recalc().

Real core::pack::guidance_scoreterms::sap::SapDatabase::hydrophobic_weight ( char aa ) const

References name1_to_hydrophobic_.

Referenced by core::pack::guidance_scoreterms::sap::SapConstraintHelper::fill_block_params(), and core::pack::guidance_scoreterms::sap::SapConstraintHelper::set_accurate_sasa_and_recalc().

void core::pack::guidance_scoreterms::sap::SapDatabase::load_block_data ( )

private

References atomtype_to_block_param_, max_sasa(), and core::pack::guidance_scoreterms::sap::SAP_BLOCK_STORE_SCALE.

Referenced by SapDatabase().

void core::pack::guidance_scoreterms::sap::SapDatabase::load_hydrophobic_data ( )

private

References name1_to_hydrophobic_.

Referenced by SapDatabase().

Real core::pack::guidance_scoreterms::sap::SapDatabase::max_sasa ( char aa ) const

References name1_to_max_sasa_.

Referenced by load_block_data(), and core::pack::guidance_scoreterms::sap::SapConstraintHelper::set_accurate_sasa_and_recalc().

bool core::pack::guidance_scoreterms::sap::SapDatabase::symm_debug ( ) const

References symm_debug_.

Friends And Related Function Documentation

friend class ::SapConstraintEnergyTests

friend

friend class utility::SingletonBase< SapDatabase >

friend

Member Data Documentation

utility::pointer::shared_ptr< std::unordered_map< std::string, BlockParam > > core::pack::guidance_scoreterms::sap::SapDatabase::atomtype_to_block_param_

private

Referenced by atomtype_to_block_param(), and load_block_data().

std::unordered_map< char, Real > core::pack::guidance_scoreterms::sap::SapDatabase::name1_to_hydrophobic_

private

Referenced by get_name1_name3(), hydrophobic_weight(), and load_hydrophobic_data().

std::unordered_map< char, Real > core::pack::guidance_scoreterms::sap::SapDatabase::name1_to_max_sasa_

private

Referenced by generate_max_sasa(), and max_sasa().

bool core::pack::guidance_scoreterms::sap::SapDatabase::symm_debug_

private

Referenced by symm_debug().

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