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Public Member Functions | Protected Attributes | List of all members
core::io::raw_data::RawStruct Class Referenceabstract

#include <RawStruct.hh>

Inheritance diagram for core::io::raw_data::RawStruct:
Inheritance graph
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Public Member Functions

 ~RawStruct () override
 
virtual void fill_pose (core::pose::Pose &pose)=0
 Fill a Pose with the conformation information in this RawStruct and the FA_STANDARD ResidueTypeSet. This is a virtual method which must be implemented by classes derived from RawStruct. More...
 
virtual void fill_pose (core::pose::Pose &pose, core::chemical::ResidueTypeSet const &residue_set)=0
 Fill a Pose with the conformation information in this RawStruct and the ResidueTypeSet provided by the caller. This is a virtual method which must be implemented by classes derived from RawStruct. More...
 
virtual Real get_debug_rmsd ()
 Do some sort of comparison between the actual RMSD of this silent-struct and the cached coordinates. Used for RawStruct objects that are rebuild from torsions or other shortened representations of data. More...
 
virtual void print_header (std::ostream &out, std::map< std::string, core::Real > const &score_map, std::map< std::string, std::string > const &string_map=(std::map< std::string, std::string >()), bool print_sequence=true) const
 print out a header line to the given ozstream. In a rosetta++ silent-file, this contained the lines SEQUENCE: <protein sequence>="">:

More...
 
virtual void print_scores (std::ostream &out, std::map< std::string, core::Real > const &score_map, std::map< std::string, std::string > const &string_map=(std::map< std::string, std::string >())) const
 print out a SCORE line to the given ozstream. More...
 
virtual void print_conformation (std::ostream &out) const
 
Size nres ()
 data access methods. More...
 
std::string decoy_tag ()
 returns the tag associated with this RawStruct More...
 
std::string sequence ()
 returns the sequence for this RawStruct More...
 
void nres (Size nres)
 returns the number of residues in this RawStruct More...
 
void decoy_tag (std::string tag)
 sets the tag associated with this RawStruct More...
 
void sequence (std::string sequence)
 sets the sequence for this RawStruct More...
 

Protected Attributes

Size nres_
 
std::string decoy_tag_
 
std::string sequence_
 

Constructor & Destructor Documentation

core::io::raw_data::RawStruct::~RawStruct ( )
overridedefault

Member Function Documentation

std::string core::io::raw_data::RawStruct::decoy_tag ( )
inline

returns the tag associated with this RawStruct

References decoy_tag_.

void core::io::raw_data::RawStruct::decoy_tag ( std::string  tag)
inline

sets the tag associated with this RawStruct

References decoy_tag_.

virtual void core::io::raw_data::RawStruct::fill_pose ( core::pose::Pose pose)
pure virtual

Fill a Pose with the conformation information in this RawStruct and the FA_STANDARD ResidueTypeSet. This is a virtual method which must be implemented by classes derived from RawStruct.

Implemented in core::io::raw_data::DecoyStruct, core::io::raw_data::ScoreStructText, and core::io::raw_data::ScoreStructJSON.

virtual void core::io::raw_data::RawStruct::fill_pose ( core::pose::Pose pose,
core::chemical::ResidueTypeSet const &  residue_set 
)
pure virtual

Fill a Pose with the conformation information in this RawStruct and the ResidueTypeSet provided by the caller. This is a virtual method which must be implemented by classes derived from RawStruct.

Implemented in core::io::raw_data::DecoyStruct, core::io::raw_data::ScoreStructText, and core::io::raw_data::ScoreStructJSON.

Real core::io::raw_data::RawStruct::get_debug_rmsd ( )
virtual

Do some sort of comparison between the actual RMSD of this silent-struct and the cached coordinates. Used for RawStruct objects that are rebuild from torsions or other shortened representations of data.

Reimplemented in core::io::raw_data::DecoyStruct, core::io::raw_data::ScoreStructText, and core::io::raw_data::ScoreStructJSON.

References core::io::raw_data::TR().

Size core::io::raw_data::RawStruct::nres ( )
inline

data access methods.

References nres_.

Referenced by nres().

void core::io::raw_data::RawStruct::nres ( Size  nres)
inline

returns the number of residues in this RawStruct

References nres(), and nres_.

void core::io::raw_data::RawStruct::print_conformation ( std::ostream &  out) const
virtual
void core::io::raw_data::RawStruct::print_header ( std::ostream &  out,
std::map< std::string, core::Real > const &  score_map,
std::map< std::string, std::string > const &  string_map = ( std::map < std::string, std::string > () ),
bool  print_sequence = true 
) const
virtual

print out a header line to the given ozstream. In a rosetta++ silent-file, this contained the lines SEQUENCE: <protein sequence>="">:

Reimplemented in core::io::raw_data::ScoreStructJSON.

References protocols::comparative_modeling::features::A, protocols::mean_field::max(), and core::scoring::pair.

Referenced by protocols::canonical_sampling::PDBTrajectoryRecorder::write_model(), and core::io::raw_data::DecoyFileData::write_struct().

void core::io::raw_data::RawStruct::print_scores ( std::ostream &  out,
std::map< std::string, core::Real > const &  score_map,
std::map< std::string, std::string > const &  string_map = ( std::map < std::string, std::string > () ) 
) const
virtual
std::string core::io::raw_data::RawStruct::sequence ( )
inline

returns the sequence for this RawStruct

References sequence_.

Referenced by sequence().

void core::io::raw_data::RawStruct::sequence ( std::string  sequence)
inline

sets the sequence for this RawStruct

References sequence(), and sequence_.

Member Data Documentation

std::string core::io::raw_data::RawStruct::decoy_tag_
protected
Size core::io::raw_data::RawStruct::nres_
protected
std::string core::io::raw_data::RawStruct::sequence_
protected

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