BALL::PDBInfo Class Reference

#include <BALL/FORMAT/PDBInfo.h>


Public Member Functions
Constructors and Destructor

	PDBInfo ()
	PDBInfo (const PDBInfo &pdbi)
virtual	~PDBInfo ()
virtual void	clear ()
	Reset all attributes to their initial state.

PDBInfo &	operator= (const PDBInfo &rhs)

bool	operator== (const PDBInfo &rhs) const
	Equality operator.
bool	operator!= (const PDBInfo &rhs) const
	Inequality operator.

PDBRecords &	getSkippedRecords ()
	Return the unparsed records.
const PDBRecords &	getSkippedRecords () const
	Return the unparsed records.
PDBRecords &	getInvalidRecords ()
	Return the unparsed records.
const PDBRecords &	getInvalidRecords () const
	Return the unparsed records.
const String &	getFilename () const
	Return the filename.
void	setFilename (const String &filename)
	Set the filename.
const String &	getID () const
	Return the PDB ID.
void	setID (const String &id)
	Set the PDB ID.
Size	getNumberOfRecords () const
	Return the total number of records read.
void	setNumberOfRecords (Size n)
	Set the number of records.
Size	getNumberOfModels () const
	Return the number of models.
Size &	getNumberOfModels ()
	Return the number of models.
void	setNumberOfModels (Size n)
	Set the number of models.
Position	getCurrentModel () const
	Return the number of the last model read.
Position &	getCurentModel ()
	Return the number of the last model read.
void	setCurrentModel (Position n)
	Set the number of the model read.
Size	getNumberOfATOMRecords () const
	Return the number of atom records read.
Size &	getNumberOfATOMRecords ()
	Return the number of atom records read.
void	setNumberOfATOMRecords (Size n)
	Set the number of atom records read.
Size	getNumberOfHETATMRecords () const
	Return the number of hetatm records read.
Size &	getNumberOfHETATMRecords ()
	Return the number of hetatm records read.
void	setNumberOfHETATMRecords (Size n)
	Set the number of hetatm records read.
const String &	getName () const
	Return the name of the system as contained in the HEADER record.
void	setName (const String &name)
	Set the name of the system. This is written to the HEADER record (truncated!).
std::list< Position >	getRecordIndices (PDB::RecordType record) const
Protected Attributes
PDBRecords	skipped_records_
	Skipped PDB records (not parsed).
PDBRecords	invalid_records_
	Invalid PDB records (tried to parse, but failed).
String	filename_
	Filename.
String	id_
	PDB ID.
String	name_
	Name.
Size	number_of_records_
	Total file size in bytes.
Size	number_of_models_
	Total number of models.
Position	model_read_
	Model last read.
Size	number_of_atom_records_
	Number of ATOM records.
Size	number_of_hetatm_records_
	Number of HETATM records.

Detailed Description

PDB information class. This class contains holds summary information on a PDB file read by GenericPDBFile or PDBFile as well as unparse records.

Constructor & Destructor Documentation

BALL::PDBInfo::PDBInfo ( )

BALL::PDBInfo::PDBInfo ( const PDBInfo & pdbi )

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

Member Function Documentation

virtual void BALL::PDBInfo::clear ( ) [virtual]

Reset all attributes to their initial state.

Position& BALL::PDBInfo::getCurentModel ( ) [inline]

Return the number of the last model read.

Position BALL::PDBInfo::getCurrentModel ( ) const [inline]

Return the number of the last model read.

const String& BALL::PDBInfo::getFilename ( ) const [inline]

Return the filename.

const String& BALL::PDBInfo::getID ( ) const [inline]

Return the PDB ID.

const PDBRecords& BALL::PDBInfo::getInvalidRecords ( ) const [inline]

Return the unparsed records.

PDBRecords& BALL::PDBInfo::getInvalidRecords ( ) [inline]

Return the unparsed records.

const String& BALL::PDBInfo::getName ( ) const [inline]

Return the name of the system as contained in the HEADER record.

Size& BALL::PDBInfo::getNumberOfATOMRecords ( ) [inline]

Return the number of atom records read.

Size BALL::PDBInfo::getNumberOfATOMRecords ( ) const [inline]

Return the number of atom records read.

Size& BALL::PDBInfo::getNumberOfHETATMRecords ( ) [inline]

Return the number of hetatm records read.

Size BALL::PDBInfo::getNumberOfHETATMRecords ( ) const [inline]

Return the number of hetatm records read.

Size& BALL::PDBInfo::getNumberOfModels ( ) [inline]

Return the number of models.

Size BALL::PDBInfo::getNumberOfModels ( ) const [inline]

Return the number of models.

Size BALL::PDBInfo::getNumberOfRecords ( ) const [inline]

Return the total number of records read.

std::list<Position> BALL::PDBInfo::getRecordIndices ( PDB::RecordType record ) const

Return a list of indices matchin a specific record type. This list is constructed by a linear search over all records currently stored in the skipped indices.

const PDBRecords& BALL::PDBInfo::getSkippedRecords ( ) const [inline]

Return the unparsed records.

PDBRecords& BALL::PDBInfo::getSkippedRecords ( ) [inline]

Return the unparsed records.

Accessors

bool BALL::PDBInfo::operator!= ( const PDBInfo & rhs ) const

Inequality operator.

PDBInfo& BALL::PDBInfo::operator= ( const PDBInfo & rhs )

Assignment

bool BALL::PDBInfo::operator== ( const PDBInfo & rhs ) const

Equality operator.

Predicates