BALL::NMRStarFile Class Reference
NMRStarFile. More...#include <NMRStarFile.h>
Inheritance diagram for BALL::NMRStarFile:
[legend]
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 () | |
| 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) |
| Assignment operator. |
|
| ~NMRStarFile () | |
| void | clear () |
| Clear the object. |
|
|
Access methods
|
|
| Size | getNumberOfAtoms () const |
| Get the maiximum number of atoms in
all shift sets. |
|
|
const std::vector < NMRAtomDataSet > & |
getData () const |
| Get the extracted data for the
atoms. |
|
|
Equality
|
|
| bool | operator== (const NMRStarFile &f) |
| Equality operator. |
|
| bool | operator!= (const NMRStarFile &f) |
| Inequality operator Test if both
instances point to different files. |
|
Detailed Description
NMRStarFile.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().
Constructor & Destructor Documentation
| BALL::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.
| BALL::NMRStarFile::NMRStarFile | ( | const String & | file_name | ) | throw (Exception::FileNotFound, Exception::ParseError) |
Detailed constuctor.
Opens the given file and extracts all usefull data.
Member Function Documentation
| const NMRStarFile& BALL::NMRStarFile::operator= | ( | const NMRStarFile & | f | ) |
Assignment operator.
- See also:
- NMRStarFile(const NMRStarFile& f)
| bool BALL::NMRStarFile::operator== | ( | const NMRStarFile & | f | ) |
Equality operator.
Test if both instances point to the same file.
