BALL::SCWRLRotamerFile Class Reference

Reads Dunbrack/SCWRL rotamer library files. More...

#include <BALL/FORMAT/SCWRLRotamerFile.h>

Inheritance diagram for BALL::SCWRLRotamerFile:

Public Member Functions
Constructors and Destructor

	SCWRLRotamerFile ()
	Default constructor.
	SCWRLRotamerFile (const String &name, File::OpenMode open_mode=std::ios::in)
	Detailed constructor.
virtual	~SCWRLRotamerFile ()
	Destructor.
Assignment

const SCWRLRotamerFile &	operator= (const SCWRLRotamerFile &file)
	Assignment operator.
void	operator>> (RotamerLibrary &rotamer_library)
	input operator
Protected Member Functions
void	readSCWRLBackboneDependentLibraryFile_ (RotamerLibrary &library)
void	readSCWRLBackboneIndependentLibraryFile_ (RotamerLibrary &library)

Detailed Description

Reads Dunbrack/SCWRL rotamer library files.

This class is able to read the rotamer library files from Dunbrack including the one used in SCWRL3.0 . It decides if the file contains backbone dependent or backbone independent rotamers. Currently only files with the same format as bbdep02.May.lib or bbind02.May.lib are supported.

Definition at line 22 of file SCWRLRotamerFile.h.

Constructor & Destructor Documentation

BALL::SCWRLRotamerFile::SCWRLRotamerFile ( )

Default constructor.

BALL::SCWRLRotamerFile::SCWRLRotamerFile	(	const String &	name,
		File::OpenMode	open_mode = `std::ios::in`
	)

Detailed constructor.

virtual BALL::SCWRLRotamerFile::~SCWRLRotamerFile ( ) [virtual]

Destructor.

Member Function Documentation

const SCWRLRotamerFile& BALL::SCWRLRotamerFile::operator= ( const SCWRLRotamerFile & file )

Assignment operator.

void BALL::SCWRLRotamerFile::operator>> ( RotamerLibrary & rotamer_library )

input operator

void BALL::SCWRLRotamerFile::readSCWRLBackboneDependentLibraryFile_ ( RotamerLibrary & library ) [protected]

Backbone dependent read method

Exceptions:

Exception::ParseError

if a syntax error was encountered

void BALL::SCWRLRotamerFile::readSCWRLBackboneIndependentLibraryFile_ ( RotamerLibrary & library ) [protected]

Backbone independent read method