#include <RawStruct.hh>

Inheritance diagram for core::io::raw_data::RawStruct:

Collaboration diagram for core::io::raw_data::RawStruct:

Public Member Functions
virtual	~RawStruct ()

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...

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...

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_

Detailed Description

Definition at line 44 of file RawStruct.hh.

Constructor & Destructor Documentation

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

virtual

Definition at line 38 of file RawStruct.cc.

Member Function Documentation

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

inline

returns the tag associated with this RawStruct

Definition at line 84 of file RawStruct.hh.

References decoy_tag_.

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

inline

sets the tag associated with this RawStruct

Definition at line 99 of file RawStruct.hh.

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, and core::io::raw_data::ScoreStruct.

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, and core::io::raw_data::ScoreStruct.

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, and core::io::raw_data::ScoreStruct.

Definition at line 140 of file RawStruct.cc.

References core::pack::interaction_graph::T().

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

inline

data access methods.

Definition at line 79 of file RawStruct.hh.

References nres_.

Referenced by nres().

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

inline

returns the number of residues in this RawStruct

Definition at line 94 of file RawStruct.hh.

References nres(), and nres_.

void core::io::raw_data::RawStruct::print_conformation ( std::ostream & out) const

virtual

Reimplemented in core::io::raw_data::DecoyStruct, and core::io::raw_data::ScoreStruct.

Definition at line 136 of file RawStruct.cc.

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

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

Definition at line 46 of file RawStruct.cc.

References protocols::comparative_modeling::features::A, and core::scoring::pair.

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