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Public Member Functions | Private Member Functions | Private Attributes | List of all members
protocols::chromophore::ReadResidueCoordinatesFromPDB Class Reference

re-reading residue's coordinates from a PDB file More...

#include <ReadResidueCoordinatesFromPDB.hh>

Inheritance diagram for protocols::chromophore::ReadResidueCoordinatesFromPDB:
Inheritance graph
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Public Member Functions

 ReadResidueCoordinatesFromPDB ()
 Default constructor. More...
 
 ~ReadResidueCoordinatesFromPDB () override
 Destructor. More...
 
ReadResidueCoordinatesFromPDBOP clone () const
 Clone operation: make a copy of this object, and return an owning pointer to the copy. More...
 
utility::vector1< std::tuple
< std::string, core::Vector > > 
get_residue_coordinates (int const resnum, char const chain_name) const
 
void read_coordinates_from_file (std::string const &filename, utility::vector1< std::tuple< int, char > > const &residues_to_read)
 
void read_coordinates (std::istream &instream, utility::vector1< std::tuple< int, char > > const &residues_to_read)
 
bool coordinates_exist (int const resnum, char const chain_name) const
 
core::Size number_of_residues () const
 

Private Member Functions

void parse_pdb (std::istream &instream, core::io::StructFileRep &sfr)
 
void save_residue_coordinates (core::io::ResidueInformation const &residue, int const resnum, char const chain_name)
 

Private Attributes

std::map< std::tuple< int,
char >, utility::vector1
< std::tuple< std::string,
core::Vector > > > 
coordinates_
 

Detailed Description

re-reading residue's coordinates from a PDB file

Author
Nina Bozhanova (nbozh.nosp@m.anov.nosp@m.a@gma.nosp@m.il.c.nosp@m.om)

Constructor & Destructor Documentation

protocols::chromophore::ReadResidueCoordinatesFromPDB::ReadResidueCoordinatesFromPDB ( )
default

Default constructor.

protocols::chromophore::ReadResidueCoordinatesFromPDB::~ReadResidueCoordinatesFromPDB ( )
overridedefault

Destructor.

Member Function Documentation

ReadResidueCoordinatesFromPDBOP protocols::chromophore::ReadResidueCoordinatesFromPDB::clone ( ) const

Clone operation: make a copy of this object, and return an owning pointer to the copy.

bool protocols::chromophore::ReadResidueCoordinatesFromPDB::coordinates_exist ( int const  resnum,
char const  chain_name 
) const
utility::vector1< std::tuple< std::string, core::Vector > > protocols::chromophore::ReadResidueCoordinatesFromPDB::get_residue_coordinates ( int const  resnum,
char const  chain_name 
) const
core::Size protocols::chromophore::ReadResidueCoordinatesFromPDB::number_of_residues ( ) const

References coordinates_.

void protocols::chromophore::ReadResidueCoordinatesFromPDB::parse_pdb ( std::istream &  instream,
core::io::StructFileRep sfr 
)
private
void protocols::chromophore::ReadResidueCoordinatesFromPDB::read_coordinates ( std::istream &  instream,
utility::vector1< std::tuple< int, char > > const &  residues_to_read 
)
void protocols::chromophore::ReadResidueCoordinatesFromPDB::read_coordinates_from_file ( std::string const &  filename,
utility::vector1< std::tuple< int, char > > const &  residues_to_read 
)

References read_coordinates().

void protocols::chromophore::ReadResidueCoordinatesFromPDB::save_residue_coordinates ( core::io::ResidueInformation const &  residue,
int const  resnum,
char const  chain_name 
)
private

Member Data Documentation

std::map< std::tuple < int, char >, utility::vector1 <std::tuple <std::string, core::Vector> > > protocols::chromophore::ReadResidueCoordinatesFromPDB::coordinates_
private

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