#include <mgfoutput.h>

Public Member Functions
	MgfOutput (QIODevice *p_output_device)

void	write (const QualifiedMassSpectrum &mass_spectrum)

void	close ()

virtual	~MgfOutput ()

Private Attributes
QTextStream *	mpa_outputStream

Detailed Description

Todo: write docs

Definition at line 39 of file mgfoutput.h.

Constructor & Destructor Documentation

◆ MgfOutput()

MgfOutput::MgfOutput ( QIODevice * p_output_device )

Default constructor

Definition at line 5 of file mgfoutput.cpp.

{
 
  mpa_outputStream = new QTextStream(p_output_device);
}

References mpa_outputStream.

◆ ~MgfOutput()

MgfOutput::~MgfOutput ( )

virtual

Destructor

Definition at line 11 of file mgfoutput.cpp.

12{

13}

Member Function Documentation

◆ close()

void MgfOutput::close ( )

Definition at line 61 of file mgfoutput.cpp.

{
  mpa_outputStream->flush();
}

References mpa_outputStream.

◆ write()

void MgfOutput::write ( const QualifiedMassSpectrum & mass_spectrum )

Definition at line 16 of file mgfoutput.cpp.

{
  /*
   * BEGIN IONS
TITLE=20120906_balliau_extract_1_A01_urnb-1.15968.15968.2
RTINSECONDS=2843.58
PEPMASS=638.36934732588 270659.09375
CHARGE=2+
89.01705933 1255.7088623047
89.06031799 258758.140625
90.06361389 12425.6162109375
*/
  *mpa_outputStream << "BEGIN IONS" << Qt::endl;
  *mpa_outputStream << "TITLE="
                    << mass_spectrum.getMassSpectrumId()
                         .getMsRunIdCstSPtr()
                         .get()
                         ->getSampleName()
                    << "."
                    << mass_spectrum.getMassSpectrumId().getSpectrumIndex()
                    << Qt::endl;
  *mpa_outputStream << "RTINSECONDS="
                    << QString::number(mass_spectrum.getRtInSeconds(), 'f', 2)
                    << Qt::endl;
  *mpa_outputStream << "PEPMASS="
                    << QString::number(mass_spectrum.getPrecursorMz(), 'g', 15)
                    << " "
                    << QString::number(
                         mass_spectrum.getPrecursorIntensity(), 'f', 5)
                    << Qt::endl;
  *mpa_outputStream << "CHARGE=" << mass_spectrum.getPrecursorCharge() << "+"
                    << Qt::endl;
 
  if(mass_spectrum.getMassSpectrumCstSPtr() != nullptr)
    {
      for(auto &&peak : *(mass_spectrum.getMassSpectrumCstSPtr().get()))
        {
          *mpa_outputStream << QString::number(peak.x, 'g', 15) << " "
                            << QString::number(peak.y, 'g', 15) << Qt::endl;
        }
    }
  *mpa_outputStream << "END IONS" << Qt::endl;
}

References pappso::QualifiedMassSpectrum::getMassSpectrumCstSPtr(), pappso::QualifiedMassSpectrum::getMassSpectrumId(), pappso::MassSpectrumId::getMsRunIdCstSPtr(), pappso::QualifiedMassSpectrum::getPrecursorCharge(), pappso::QualifiedMassSpectrum::getPrecursorIntensity(), pappso::QualifiedMassSpectrum::getPrecursorMz(), pappso::QualifiedMassSpectrum::getRtInSeconds(), pappso::MsRunId::getSampleName(), pappso::MassSpectrumId::getSpectrumIndex(), and mpa_outputStream.

Member Data Documentation

◆ mpa_outputStream

QTextStream* pappso::MgfOutput::mpa_outputStream

private

Definition at line 55 of file mgfoutput.h.

Referenced by MgfOutput(), close(), and write().

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

pappsomspp/core/msrun/output/mgfoutput.h
pappsomspp/core/msrun/output/mgfoutput.cpp

Public Member Functions

Private Attributes