BALL::CIFFile Class Reference
[Molecular structure file formats]

#include <BALL/FORMAT/CIFFile.h>

Inheritance diagram for BALL::CIFFile:

[legend]

List of all members.

Classes
class	Datablock
class	Datacontent
class	Item
class	SaveFrame
struct	State
Public Member Functions
Constructors and Destructors
	CIFFile ()
	CIFFile (const String &filename, File::OpenMode open_mode=std::ios::in) throw (Exception::FileNotFound)
virtual	~CIFFile ()
	CIFFile ()
	CIFFile (const CIFFile &file) throw (Exception::FileNotFound)
	CIFFile (const String &filename, File::OpenMode open_mode=std::ios::in) throw (Exception::FileNotFound)
virtual	~CIFFile ()
	CIFFile ()
	CIFFile (const CIFFile &file) throw (Exception::FileNotFound)
	CIFFile (const String &filename, File::OpenMode open_mode=std::ios::in) throw (Exception::FileNotFound)
virtual	~CIFFile ()
	CIFFile ()
	CIFFile (const CIFFile &file) throw (Exception::FileNotFound)
	CIFFile (const String &filename, File::OpenMode open_mode=std::ios::in) throw (Exception::FileNotFound)
virtual	~CIFFile ()
	CIFFile () throw ()
	CIFFile (const CIFFile &file) throw (Exception::FileNotFound)
	CIFFile (const String &filename, File::OpenMode open_mode=std::ios::in) throw (Exception::FileNotFound)
virtual	~CIFFile () throw ()
	CIFFile () throw ()
	CIFFile (const CIFFile &file) throw (Exception::FileNotFound)
	CIFFile (const String &filename, File::OpenMode open_mode=std::ios::in) throw (Exception::FileNotFound)
virtual	~CIFFile () throw ()
	CIFFile () throw ()
	CIFFile (const CIFFile &file) throw (Exception::FileNotFound)
	CIFFile (const String &filename, File::OpenMode open_mode=std::ios::in) throw (Exception::FileNotFound)
virtual	~CIFFile () throw ()
Reading and Writing of Crytallographic Information
virtual bool	write () throw (File::CannotWrite)
virtual bool	read () throw (Exception::ParseError)
Accessors
void	inSafeframe (const char *name)
void	inItem (const char *name)
void	inDatablock (const char *name)
void	insertDatablock (const Datablock &datablock)
const Datablock &	getDatablock (const String &name) const
Datablock &	getDatablock (const String &name)
bool	hasDatablock (const String &name) const
void	setMolecule (Molecule *molecule)
void	clearParameters ()
void	inSafeframe (const char *name)
void	inItem (const char *name)
void	inDatablock (const char *name)
void	insertDatablock (const Datablock &datablock)
const Datablock &	getDatablock (const String &name) const
Datablock &	getDatablock (const String &name)
bool	hasDatablock (const String &name) const
void	setMolecule (Molecule *molecule)
void	clearParameters ()
void	inSafeframe (const char *name)
void	inItem (const char *name)
void	inDatablock (const char *name)
void	insertDatablock (const Datablock &datablock)
const Datablock &	getDatablock (const String &name) const
Datablock &	getDatablock (const String &name)
bool	hasDatablock (const String &name) const
void	setMolecule (Molecule *molecule)
void	clearParameters ()
void	inSafeframe (const char *name)
void	inItem (const char *name)
void	inDatablock (const char *name)
void	insertDatablock (const Datablock &datablock)
const Datablock &	getDatablock (const String &name) const
Datablock &	getDatablock (const String &name)
bool	hasDatablock (const String &name) const
void	setMolecule (Molecule *molecule)
void	clearParameters ()
void	inSafeframe (const char *name) throw ()
void	inItem (const char *name) throw ()
void	inDatablock (const char *name) throw ()
void	insertDatablock (const Datablock &datablock) throw ()
const Datablock	getDatablock (const String &name) throw ()
void	setMolecule (Molecule *molecule) throw ()
void	clearParameters () throw ()
void	inSafeframe (const char *name) throw ()
void	inItem (const char *name) throw ()
void	inDatablock (const char *name) throw ()
void	insertDatablock (const Datablock &datablock) throw ()
const Datablock	getDatablock (const String &name) throw ()
void	setMolecule (Molecule *molecule) throw ()
void	clearParameters () throw ()
void	inSafeframe (const char *name) throw ()
void	inItem (const char *name) throw ()
void	inDatablock (const char *name) throw ()
void	insertDatablock (const Datablock &datablock) throw ()
const Datablock	getDatablock (const String &name) throw ()
void	setMolecule (Molecule *molecule) throw ()
void	clearParameters () throw ()
Assignment.
const CIFFile &	operator= (const CIFFile &rhs) throw (Exception::FileNotFound)
const CIFFile &	operator= (const CIFFile &rhs) throw (Exception::FileNotFound)
const CIFFile &	operator= (const CIFFile &rhs) throw (Exception::FileNotFound)
const CIFFile &	operator= (const CIFFile &rhs) throw (Exception::FileNotFound)
const CIFFile &	operator= (const CIFFile &rhs) throw (Exception::FileNotFound)
const CIFFile &	operator= (const CIFFile &rhs) throw (Exception::FileNotFound)
Reading and Writing of Crytallsographic Information
virtual bool	write () throw (File::CannotWrite)
virtual bool	read () throw (Exception::ParseError)
virtual bool	write () throw (File::CannotWrite)
virtual bool	read () throw (Exception::ParseError)
virtual bool	write () throw (File::CannotWrite)
virtual bool	read () throw (Exception::ParseError)
virtual bool	write () throw (File::CannotWrite)
virtual bool	read () throw (Exception::ParseError)
virtual bool	write () throw (File::CannotWrite)
virtual bool	read () throw (Exception::ParseError)
virtual bool	write () throw (File::CannotWrite)
virtual bool	read () throw (Exception::ParseError)
Static Public Attributes
static State	state
Protected Member Functions
virtual void	initRead_ ()
virtual void	initRead_ ()
virtual void	initRead_ ()
virtual void	initRead_ ()
virtual void	initRead_ ()
virtual void	initRead_ ()
virtual void	initRead_ ()
Protected Attributes
Molecule *	molecule_
String	current_datablock_
String	current_saveframe_
String	current_item_
StringHashMap< Index >	datablocks_hash_
vector< Datablock >	datablocks_
StringHashMap< Datablock >	datablocks_

---

Detailed Description

CIF file class. This class enables BALL to read and write input and output CIF files for the NMR shift application.

Definition at line 32 of file CIFFile.h.

---

Constructor & Destructor Documentation

BALL::CIFFile::CIFFile

(

)

Default constructor

BALL::CIFFile::CIFFile	(	const String &	filename,
		File::OpenMode	open_mode = std::ios::in
	)			throw (Exception::FileNotFound)

Detailed constructor

virtual BALL::CIFFile::~CIFFile

(

)

[virtual]

Destructor

BALL::CIFFile::CIFFile

(

)

Default constructor

BALL::CIFFile::CIFFile

(

const CIFFile &

file

)

throw (Exception::FileNotFound)

Copy constructor

BALL::CIFFile::CIFFile	(	const String &	filename,
		File::OpenMode	open_mode = std::ios::in
	)			throw (Exception::FileNotFound)

Detailed constructor

virtual BALL::CIFFile::~CIFFile

(

)

[virtual]

Destructor

BALL::CIFFile::CIFFile

(

)

Default constructor

BALL::CIFFile::CIFFile

(

const CIFFile &

file

)

throw (Exception::FileNotFound)

Copy constructor

BALL::CIFFile::CIFFile	(	const String &	filename,
		File::OpenMode	open_mode = std::ios::in
	)			throw (Exception::FileNotFound)

Detailed constructor

virtual BALL::CIFFile::~CIFFile

(

)

[virtual]

Destructor

BALL::CIFFile::CIFFile

(

)

Default constructor

BALL::CIFFile::CIFFile

(

const CIFFile &

file

)

throw (Exception::FileNotFound)

Copy constructor

BALL::CIFFile::CIFFile	(	const String &	filename,
		File::OpenMode	open_mode = std::ios::in
	)			throw (Exception::FileNotFound)

Detailed constructor

virtual BALL::CIFFile::~CIFFile

(

)

[virtual]

Destructor

BALL::CIFFile::CIFFile

(

)

throw ()

Default constructor

BALL::CIFFile::CIFFile

(

const CIFFile &

file

)

throw (Exception::FileNotFound)

Copy constructor

BALL::CIFFile::CIFFile	(	const String &	filename,
		File::OpenMode	open_mode = std::ios::in
	)			throw (Exception::FileNotFound)

Detailed constructor

virtual BALL::CIFFile::~CIFFile

(

)

throw () [virtual]

Destructor

BALL::CIFFile::CIFFile

(

)

throw ()

Default constructor

BALL::CIFFile::CIFFile

(

const CIFFile &

file

)

throw (Exception::FileNotFound)

Copy constructor

BALL::CIFFile::CIFFile	(	const String &	filename,
		File::OpenMode	open_mode = std::ios::in
	)			throw (Exception::FileNotFound)

Detailed constructor

virtual BALL::CIFFile::~CIFFile

(

)

throw () [virtual]

Destructor

BALL::CIFFile::CIFFile

(

)

throw ()

Default constructor

BALL::CIFFile::CIFFile

(

const CIFFile &

file

)

throw (Exception::FileNotFound)

Copy constructor

BALL::CIFFile::CIFFile	(	const String &	filename,
		File::OpenMode	open_mode = std::ios::in
	)			throw (Exception::FileNotFound)

Detailed constructor

virtual BALL::CIFFile::~CIFFile

(

)

throw () [virtual]

Destructor

---

Member Function Documentation

void BALL::CIFFile::clearParameters

(

)

throw ()

void BALL::CIFFile::clearParameters

(

)

throw ()

void BALL::CIFFile::clearParameters

(

)

throw ()

void BALL::CIFFile::clearParameters

(

)

void BALL::CIFFile::clearParameters

(

)

void BALL::CIFFile::clearParameters

(

)

void BALL::CIFFile::clearParameters

(

)

const Datablock BALL::CIFFile::getDatablock

(

const String &

name

)

throw ()

const Datablock BALL::CIFFile::getDatablock

(

const String &

name

)

throw ()

const Datablock BALL::CIFFile::getDatablock

(

const String &

name

)

throw ()

Datablock& BALL::CIFFile::getDatablock

(

const String &

name

)

const Datablock& BALL::CIFFile::getDatablock

(

const String &

name

)

const

Datablock& BALL::CIFFile::getDatablock

(

const String &

name

)

const Datablock& BALL::CIFFile::getDatablock

(

const String &

name

)

const

Datablock& BALL::CIFFile::getDatablock

(

const String &

name

)

const Datablock& BALL::CIFFile::getDatablock

(

const String &

name

)

const

Datablock& BALL::CIFFile::getDatablock

(

const String &

name

)

const Datablock& BALL::CIFFile::getDatablock

(

const String &

name

)

const

bool BALL::CIFFile::hasDatablock

(

const String &

name

)

const

bool BALL::CIFFile::hasDatablock

(

const String &

name

)

const

bool BALL::CIFFile::hasDatablock

(

const String &

name

)

const

bool BALL::CIFFile::hasDatablock

(

const String &

name

)

const

void BALL::CIFFile::inDatablock

(

const char *

name

)

throw ()

void BALL::CIFFile::inDatablock

(

const char *

name

)

throw ()

void BALL::CIFFile::inDatablock

(

const char *

name

)

throw ()

void BALL::CIFFile::inDatablock

(

const char *

name

)

void BALL::CIFFile::inDatablock

(

const char *

name

)

void BALL::CIFFile::inDatablock

(

const char *

name

)

void BALL::CIFFile::inDatablock

(

const char *

name

)

void BALL::CIFFile::inItem

(

const char *

name

)

throw ()

void BALL::CIFFile::inItem

(

const char *

name

)

throw ()

void BALL::CIFFile::inItem

(

const char *

name

)

throw ()

void BALL::CIFFile::inItem

(

const char *

name

)

void BALL::CIFFile::inItem

(

const char *

name

)

void BALL::CIFFile::inItem

(

const char *

name

)

void BALL::CIFFile::inItem

(

const char *

name

)

virtual void BALL::CIFFile::initRead_

(

)

[protected, virtual]

virtual void BALL::CIFFile::initRead_

(

)

[protected, virtual]

virtual void BALL::CIFFile::initRead_

(

)

[protected, virtual]

virtual void BALL::CIFFile::initRead_

(

)

[protected, virtual]

virtual void BALL::CIFFile::initRead_

(

)

[protected, virtual]

virtual void BALL::CIFFile::initRead_

(

)

[protected, virtual]

virtual void BALL::CIFFile::initRead_

(

)

[protected, virtual]

void BALL::CIFFile::inSafeframe

(

const char *

name

)

throw ()

void BALL::CIFFile::inSafeframe

(

const char *

name

)

throw ()

void BALL::CIFFile::inSafeframe

(

const char *

name

)

throw ()

void BALL::CIFFile::inSafeframe

(

const char *

name

)

void BALL::CIFFile::inSafeframe

(

const char *

name

)

void BALL::CIFFile::inSafeframe

(

const char *

name

)

void BALL::CIFFile::inSafeframe

(

const char *

name

)

void BALL::CIFFile::insertDatablock

(

const Datablock &

datablock

)

throw ()

void BALL::CIFFile::insertDatablock

(

const Datablock &

datablock

)

throw ()

void BALL::CIFFile::insertDatablock

(

const Datablock &

datablock

)

throw ()

void BALL::CIFFile::insertDatablock

(

const Datablock &

datablock

)

void BALL::CIFFile::insertDatablock

(

const Datablock &

datablock

)

void BALL::CIFFile::insertDatablock

(

const Datablock &

datablock

)

void BALL::CIFFile::insertDatablock

(

const Datablock &

datablock

)

const CIFFile& BALL::CIFFile::operator=

(

const CIFFile &

rhs

)

throw (Exception::FileNotFound)

Assignment operator.

const CIFFile& BALL::CIFFile::operator=

(

const CIFFile &

rhs

)

throw (Exception::FileNotFound)

Assignment operator.

const CIFFile& BALL::CIFFile::operator=

(

const CIFFile &

rhs

)

throw (Exception::FileNotFound)

Assignment operator.

const CIFFile& BALL::CIFFile::operator=

(

const CIFFile &

rhs

)

throw (Exception::FileNotFound)

Assignment operator.

const CIFFile& BALL::CIFFile::operator=

(

const CIFFile &

rhs

)

throw (Exception::FileNotFound)

Assignment operator.

const CIFFile& BALL::CIFFile::operator=

(

const CIFFile &

rhs

)

throw (Exception::FileNotFound)

Assignment operator.

virtual bool BALL::CIFFile::read

(

)

throw (Exception::ParseError) [virtual]

Read a CIFFile.

Reimplemented in BALL::NMRStarFile, and BALL::NMRStarFile.

virtual bool BALL::CIFFile::read

(

)

throw (Exception::ParseError) [virtual]

Read a CIFFile.

Reimplemented in BALL::NMRStarFile, and BALL::NMRStarFile.

virtual bool BALL::CIFFile::read

(

)

throw (Exception::ParseError) [virtual]

Read a CIFFile.

Reimplemented in BALL::NMRStarFile, and BALL::NMRStarFile.

virtual bool BALL::CIFFile::read

(

)

throw (Exception::ParseError) [virtual]

Read a CIFFile.

Reimplemented in BALL::NMRStarFile, and BALL::NMRStarFile.

virtual bool BALL::CIFFile::read

(

)

throw (Exception::ParseError) [virtual]

Read a CIFFile.

Reimplemented in BALL::NMRStarFile, and BALL::NMRStarFile.

virtual bool BALL::CIFFile::read

(

)

throw (Exception::ParseError) [virtual]

Read a CIFFile.

Reimplemented in BALL::NMRStarFile, and BALL::NMRStarFile.

virtual bool BALL::CIFFile::read

(

)

throw (Exception::ParseError) [virtual]

Read a CIFFile.

Reimplemented in BALL::NMRStarFile, and BALL::NMRStarFile.

void BALL::CIFFile::setMolecule

(

Molecule *

molecule

)

throw ()

void BALL::CIFFile::setMolecule

(

Molecule *

molecule

)

throw ()

void BALL::CIFFile::setMolecule

(

Molecule *

molecule

)

throw ()

void BALL::CIFFile::setMolecule

(

Molecule *

molecule

)

void BALL::CIFFile::setMolecule

(

Molecule *

molecule

)

void BALL::CIFFile::setMolecule

(

Molecule *

molecule

)

void BALL::CIFFile::setMolecule

(

Molecule *

molecule

)

virtual bool BALL::CIFFile::write

(

)

throw (File::CannotWrite) [virtual]

Write a CIFFile.

virtual bool BALL::CIFFile::write

(

)

throw (File::CannotWrite) [virtual]

Write a CIFFile.

virtual bool BALL::CIFFile::write

(

)

throw (File::CannotWrite) [virtual]

Write a CIFFile.

virtual bool BALL::CIFFile::write

(

)

throw (File::CannotWrite) [virtual]

Write a CIFFile.

virtual bool BALL::CIFFile::write

(

)

throw (File::CannotWrite) [virtual]

Write a CIFFile.

virtual bool BALL::CIFFile::write

(

)

throw (File::CannotWrite) [virtual]

Write a CIFFile.

virtual bool BALL::CIFFile::write

(

)

throw (File::CannotWrite) [virtual]

Write a CIFFile.

---

Member Data Documentation

String BALL::CIFFile::current_datablock_ [protected]

Definition at line 276 of file CIFFile.h.

String BALL::CIFFile::current_item_ [protected]

Definition at line 278 of file CIFFile.h.

String BALL::CIFFile::current_saveframe_ [protected]

Definition at line 277 of file CIFFile.h.

StringHashMap<Datablock> BALL::CIFFile::datablocks_ [protected]

Definition at line 234 of file CIFFile.h.REMOTE.2193.h.

StringHashMap< Datablock > BALL::CIFFile::datablocks_ [protected]

Definition at line 281 of file CIFFile.h.

StringHashMap< Index > BALL::CIFFile::datablocks_hash_ [protected]

Definition at line 280 of file CIFFile.h.

Molecule * BALL::CIFFile::molecule_ [protected]

Definition at line 274 of file CIFFile.h.

static State BALL::CIFFile::state [static]

Definition at line 269 of file CIFFile.h.