#include <BALL/NMR/experiment.h>
Public Types | |
Typedefs | |
typedef PeakListType::PeakType | PeakType |
The peak type. | |
Public Member Functions | |
Constructors and Destructors | |
Experiment () | |
Experiment (const Experiment &experiment) | |
virtual | ~Experiment () |
Accessors | |
const PeakListType & | getPeakList () const |
const PeakType & | getDefaultPeak () const |
void | setDefaultPeak (const PeakType &peak) |
Protected Attributes | |
PeakListType | peak_list_ |
PeakType | default_peak_ |
Class describing a certain type of NMR experiment. This class (and its subclasses) are used to describe how a list of peaks is derived from the shifts calculated for a system.
typedef PeakListType::PeakType BALL::Experiment< PeakListType >::PeakType |
The peak type.
BALL::Experiment< PeakListType >::Experiment | ( | ) | [inline] |
Default Constructor
BALL::Experiment< PeakListType >::Experiment | ( | const Experiment< PeakListType > & | experiment | ) | [inline] |
Copy constructor
BALL::Experiment< PeakListType >::~Experiment | ( | ) | [inline, virtual] |
Destructor
const Experiment< PeakListType >::PeakType & BALL::Experiment< PeakListType >::getDefaultPeak | ( | ) | const [inline] |
Return the default peak. This peak can be assigned a default width and intensity that is assigned to all extracted peaks in the peak list. This is the default behaviour and can be overridden in derived classes.
References BALL::Experiment< PeakListType >::default_peak_.
const PeakListType & BALL::Experiment< PeakListType >::getPeakList | ( | ) | const [inline] |
Return the peak list
References BALL::Experiment< PeakListType >::peak_list_.
void BALL::Experiment< PeakListType >::setDefaultPeak | ( | const PeakType & | peak | ) |
Assign the default peak.
PeakType BALL::Experiment< PeakListType >::default_peak_ [protected] |
Referenced by BALL::Experiment< PeakListType >::getDefaultPeak().
PeakListType BALL::Experiment< PeakListType >::peak_list_ [protected] |
Referenced by BALL::Experiment< PeakListType >::getPeakList().