pappso::masschroq::Precursor Class Reference

A Precursor object represents the parent/precursor of the MS level 2 scan with number _scan_num in the mzxml file. More...

#include <precursor.h>

Public Member Functions
	Precursor (std::size_t spectrum_index, double mz, double intensity, pappso::XicCoordSPtr xic_coord)
virtual	~Precursor ()
double	getIntensity () const
std::size_t	getSpectrumIndex () const
const pappso::XicCoordSPtr &	getXicCoordSPtr () const

Private Attributes
std::size_t	m_spectrumIndex
	< MS level 2 scan number whome this Precursor is parent
double	m_intensity
	intensity of this precursor
double	m_mz
	selected m/z of this precursor
pappso::XicCoordSPtr	msp_xicCoord
	Xic coordinates.

Detailed Description

A Precursor object represents the parent/precursor of the MS level 2 scan with number _scan_num in the mzxml file.

In mzxml files, MS scans of level 2 have each a precursor object representing their MS level 1 parent/precursor. A Precursor object has :

• a spectrum index
• a retention time value
• an intensity value
• an mz value
• Xic coordinates

Definition at line 55 of file precursor.h.

Constructor & Destructor Documentation

Precursor()

pappso::masschroq::Precursor::Precursor	(	std::size_t	spectrum_index,
		double	mz,
		double	intensity,
		pappso::XicCoordSPtr	xic_coord )

Default constructor

Definition at line 33 of file precursor.cpp.

{
  m_spectrumIndex = spectrum_index;
  m_intensity     = intensity;
  m_mz            = mz;
 
  msp_xicCoord = xic_coord;
 
  if(msp_xicCoord.get() == nullptr)
    {
      throw pappso::PappsoException(
        QObject::tr("xic_coord == nullptr\nindex=%1 %2 %3 %4")
          .arg(spectrum_index)
          .arg(__FILE__)
          .arg(__FUNCTION__)
          .arg(__LINE__));
    }
}

References m_intensity, m_mz, m_spectrumIndex, and msp_xicCoord.

~Precursor()

pappso::masschroq::Precursor::~Precursor ( )

virtual

Destructor

Definition at line 55 of file precursor.cpp.

{
}

Member Function Documentation

getIntensity()

double pappso::masschroq::Precursor::getIntensity

(

)

const

Definition at line 60 of file precursor.cpp.

{
  return m_intensity;
}

References m_intensity.

Referenced by pappso::masschroq::MsRunPeptideList::addPeptideScanNumberObservation(), and pappso::masschroq::MsRunPeptideList::addPeptideSpectrumIndexObservation().

getSpectrumIndex()

std::size_t pappso::masschroq::Precursor::getSpectrumIndex

(

)

const

Definition at line 66 of file precursor.cpp.

{
  return m_spectrumIndex;
}

References m_spectrumIndex.

getXicCoordSPtr()

const pappso::XicCoordSPtr & pappso::masschroq::Precursor::getXicCoordSPtr

(

)

const

Definition at line 72 of file precursor.cpp.

{
  return msp_xicCoord;
}

References msp_xicCoord.

Referenced by pappso::masschroq::MsRunPeptideList::addPeptideScanNumberObservation(), pappso::masschroq::MsRunPeptideList::addPeptideSpectrumIndexObservation(), pappso::masschroq::PrecursorParser::mapScanNumberPrecursor(), pappso::masschroq::PrecursorParser::mapSpectrumIndexToPrecursor(), and pappso::masschroq::PrecursorParser::setQualifiedMassSpectrum().

Member Data Documentation

m_intensity

double pappso::masschroq::Precursor::m_intensity

private

intensity of this precursor

Definition at line 80 of file precursor.h.

Referenced by Precursor(), and getIntensity().

m_mz

double pappso::masschroq::Precursor::m_mz

private

selected m/z of this precursor

Definition at line 82 of file precursor.h.

Referenced by Precursor().

m_spectrumIndex

std::size_t pappso::masschroq::Precursor::m_spectrumIndex

private

< MS level 2 scan number whome this Precursor is parent

Definition at line 78 of file precursor.h.

Referenced by Precursor(), and getSpectrumIndex().

msp_xicCoord

pappso::XicCoordSPtr pappso::masschroq::Precursor::msp_xicCoord

private

Xic coordinates.

Definition at line 84 of file precursor.h.

Referenced by Precursor(), and getXicCoordSPtr().

---

The documentation for this class was generated from the following files:

• pappsomspp/core/masschroq/precursor.h
• pappsomspp/core/masschroq/precursor.cpp