NMRStarFile Class Reference

#include <NMRStarFile.h>

Inheritance diagram for NMRStarFile:

List of all members.

Public Types
Enums
enum	ReferenceMethod { INTERNAL_REFERENCE, EXTERNAL_REFERENCE, UNKNOWN_REFERENCE, UNSET_REFERENCE }
enum	ReferenceType { DIRECT_TYPE, INDIRECT_TYPE, UNKNOWN_TYPE, UNSET_TYPE }
Public Member Functions
Constructors and Destructors
	NMRStarFile () throw ()
	Standard constructor.
	NMRStarFile (const NMRStarFile &f) throw (Exception::FileNotFound)
	Copy constructor.
	NMRStarFile (const String &file_name) throw (Exception::FileNotFound, Exception::ParseError)
	Detailed constuctor.
const NMRStarFile &	operator= (const NMRStarFile &f) throw ()
	Assignment operator.
void	clear () throw ()
	Clear the object.
Access methods
Size	getNumberOfAtoms () const throw ()
	Get the maiximum number of atoms in all shift sets.
const std::vector< NMRAtomDataSet > &	getData () const throw ()
	Get the extracted data for the atoms.
Equality
bool	operator== (const NMRStarFile &f) throw ()
	Equality operator.
bool	operator!= (const NMRStarFile &f) throw ()
	Inequality operator Test if both instances point to different files.

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Detailed Description

This class is designed to read a NMR-Star-File. To read a file simpy use the NMRStarFile(char* filename)- Constructor. All useful data are extracted and stored. To get access to the data use getData().

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Constructor & Destructor Documentation

NMRStarFile::NMRStarFile (  const NMRStarFile &  f  )  throw (Exception::FileNotFound)

Copy constructor. If the file was open, it is closed. Then the file of f will be opend. All data already extracted in f is copied to this instance.

NMRStarFile::NMRStarFile (  const String &  file_name  )  throw (Exception::FileNotFound, Exception::ParseError)

Detailed constuctor. Opens the given file and extracts all usefull data.

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Member Function Documentation

void NMRStarFile::clear (   )  throw () [virtual]

Clear the object. Reimplemented from LineBasedFile.

const std::vector<NMRAtomDataSet>& NMRStarFile::getData (   )  const throw ()

Get the extracted data for the atoms.

bool NMRStarFile::operator!= (  const NMRStarFile &  f  )  throw ()

Inequality operator Test if both instances point to different files.

const NMRStarFile& NMRStarFile::operator= (  const NMRStarFile &  f  )  throw ()

Assignment operator. See also: NMRStarFile(const NMRStarFile& f)

bool NMRStarFile::operator== (  const NMRStarFile &  f  )  throw ()

Equality operator. Test if both instances point to the same file.