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Public Member Functions | Private Member Functions | Private Attributes | List of all members
core::scoring::SplitUnfoldedTwoBodyPotential Class Reference

#include <SplitUnfoldedTwoBodyPotential.hh>

Inheritance diagram for core::scoring::SplitUnfoldedTwoBodyPotential:
Inheritance graph
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Public Member Functions

 SplitUnfoldedTwoBodyPotential (std::string filename)
 
 SplitUnfoldedTwoBodyPotential (std::string filename, std::string atom_type_label_name)
 
void get_restype_emap (const chemical::ResidueType &restype, EnergyMap &emap) const
 
EnergyMap get_weights () const
 

Private Member Functions

void read_database_file (std::string filename)
 
EnergyMap calculate_residue_emap (const chemical::ResidueType &restype) const
 

Private Attributes

std::map< std::string,
core::scoring::EnergyMap
residue_two_body_energies_
 
std::map< std::string,
core::scoring::EnergyMap
atom_two_body_energies_
 
EnergyMap residue_score_term_weights_
 
std::string atom_type_label_set_used_
 

Constructor & Destructor Documentation

core::scoring::SplitUnfoldedTwoBodyPotential::SplitUnfoldedTwoBodyPotential ( std::string  filename)

References read_database_file().

core::scoring::SplitUnfoldedTwoBodyPotential::SplitUnfoldedTwoBodyPotential ( std::string  filename,
std::string  atom_type_label_name 
)

Member Function Documentation

EnergyMap core::scoring::SplitUnfoldedTwoBodyPotential::calculate_residue_emap ( const chemical::ResidueType restype) const
private
void core::scoring::SplitUnfoldedTwoBodyPotential::get_restype_emap ( const chemical::ResidueType restype,
EnergyMap emap 
) const
EnergyMap core::scoring::SplitUnfoldedTwoBodyPotential::get_weights ( ) const
void core::scoring::SplitUnfoldedTwoBodyPotential::read_database_file ( std::string  filename)
private

Member Data Documentation

std::map<std::string,core::scoring::EnergyMap> core::scoring::SplitUnfoldedTwoBodyPotential::atom_two_body_energies_
private
std::string core::scoring::SplitUnfoldedTwoBodyPotential::atom_type_label_set_used_
private
EnergyMap core::scoring::SplitUnfoldedTwoBodyPotential::residue_score_term_weights_
private

Referenced by get_weights(), and read_database_file().

std::map<std::string,core::scoring::EnergyMap> core::scoring::SplitUnfoldedTwoBodyPotential::residue_two_body_energies_
private

Referenced by get_restype_emap().


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