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Public Types | Public Member Functions | Private Attributes | List of all members
protocols::optimize_weights::OptEData Class Reference

#include <OptEData.hh>

Inheritance diagram for protocols::optimize_weights::OptEData:
Inheritance graph
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Public Types

typedef core::Real Real
 
typedef core::Size Size
 
typedef
core::optimization::Multivec 
Multivec
 
typedef core::scoring::EnergyMap EnergyMap
 
typedef core::scoring::ScoreTypes ScoreTypes
 

Public Member Functions

 ~OptEData () override
 Automatically generated virtual destructor for class deriving directly from VirtualBase. More...
 
 OptEData ()
 
 OptEData (ScoreTypes const &fixed_score_list, ScoreTypes const &free_score_list)
 
core::Size num_positions () const
 
core::Size num_rotamers () const
 
void add_position_data (OptEPositionDataOP pos_data_in)
 
OptEPositionDataOPs::const_iterator position_data_begin () const
 
OptEPositionDataOPs::const_iterator position_data_end () const
 
ScoreTypes const & fixed_energy_terms () const
 
ScoreTypes const & energy_terms () const
 
void write_to_file (std::string filename="opte.data") const
 human-readable More...
 
void read_from_file (std::string filename)
 slow More...
 
void write_to_binary_file (std::string filename="opte.data") const
 writes out the optE data to a binary file More...
 
void read_from_binary_file (std::string filename)
 binary I/O should be faster More...
 

Private Attributes

ScoreTypes fixed_energy_terms_
 
ScoreTypes energy_terms_
 
OptEPositionDataOPs data_
 

Member Typedef Documentation

Constructor & Destructor Documentation

protocols::optimize_weights::OptEData::~OptEData ( )
overridedefault

Automatically generated virtual destructor for class deriving directly from VirtualBase.

Auto-generated virtual destructor

protocols::optimize_weights::OptEData::OptEData ( )
inline
protocols::optimize_weights::OptEData::OptEData ( ScoreTypes const &  fixed_score_list,
ScoreTypes const &  free_score_list 
)
inline

Member Function Documentation

void protocols::optimize_weights::OptEData::add_position_data ( OptEPositionDataOP  pos_data_in)
inline
ScoreTypes const& protocols::optimize_weights::OptEData::energy_terms ( ) const
inline

References energy_terms_.

ScoreTypes const& protocols::optimize_weights::OptEData::fixed_energy_terms ( ) const
inline

References fixed_energy_terms_.

core::Size protocols::optimize_weights::OptEData::num_positions ( ) const
inline

References data_.

core::Size protocols::optimize_weights::OptEData::num_rotamers ( ) const
OptEPositionDataOPs::const_iterator protocols::optimize_weights::OptEData::position_data_begin ( ) const
inline
OptEPositionDataOPs::const_iterator protocols::optimize_weights::OptEData::position_data_end ( ) const
inline
void protocols::optimize_weights::OptEData::read_from_binary_file ( std::string  filename)
void protocols::optimize_weights::OptEData::read_from_file ( std::string  filename)
void protocols::optimize_weights::OptEData::write_to_binary_file ( std::string  filename = "opte.data") const

writes out the optE data to a binary file

Author
ashworth

References core::conformation::membrane::out, and protocols::optimize_weights::TR().

void protocols::optimize_weights::OptEData::write_to_file ( std::string  filename = "opte.data") const

human-readable

Author
ashworth

References core::scoring::name_from_score_type(), and protocols::optimize_weights::TR().

Member Data Documentation

OptEPositionDataOPs protocols::optimize_weights::OptEData::data_
private
ScoreTypes protocols::optimize_weights::OptEData::energy_terms_
private

Referenced by energy_terms().

ScoreTypes protocols::optimize_weights::OptEData::fixed_energy_terms_
private

Referenced by fixed_energy_terms().


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