pappso::MgfOutput Class Reference

#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.

{
}

Member Function Documentation

close()

void MgfOutput::close

(

)

Definition at line 50 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().

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

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