#include <selfspectrum.h>

Public Member Functions
	SelfSpectrum (const pappso::AaStringCodeMassMatching &codec_mass_matching, const Trace &trace)
virtual	~SelfSpectrum ()
void	setPrecursorMass (const pappso::AaStringCodeMassMatching &codec_mass_matching, double precursor_mass)
void	setVariableModification (const pappso::AaStringCodeMassMatching &codec_mass_matching, const Aa &aa, int quantifier)
const SelfSpectrumMatrix &	getMatrix () const
const Trace &	getTrace () const

Private Attributes
Trace	m_trace
SelfSpectrumMatrix	m_matrix

Detailed Description

Todo: write docs

Definition at line 44 of file selfspectrum.h.

Constructor & Destructor Documentation

◆ SelfSpectrum()

pappso::specself::SelfSpectrum::SelfSpectrum	(	const pappso::AaStringCodeMassMatching &	codec_mass_matching,
		const Trace &	trace )

Default constructor

Definition at line 37 of file selfspectrum.cpp.

{
  m_trace = trace;
  m_matrix.resize(m_trace.size(), m_trace.size());
 
  qDebug() << m_trace.size();
  for(auto itmi = ++m_matrix.begin1(); itmi != m_matrix.end1(); ++itmi)
    {
      qDebug() << itmi.index1();
      for(auto itmj = ++itmi.begin(); itmj != itmi.end(); itmj++)
        {
          // itmj.fillSelfDataPoint(m_trace[itmj.index1()],
          // m_trace[itmj.index2()]);
          (*itmj).fillSelfSpectrumDataPoint(
            codec_mass_matching, m_trace[itmj.index1()], m_trace[itmj.index2()]);
        }
    }
 
  qDebug();
}

References m_matrix, and m_trace.

◆ ~SelfSpectrum()

pappso::specself::SelfSpectrum::~SelfSpectrum ( )

virtual

Destructor

Definition at line 59 of file selfspectrum.cpp.

60{

61}

Member Function Documentation

◆ getMatrix()

const SelfSpectrumMatrix & pappso::specself::SelfSpectrum::getMatrix ( ) const

Definition at line 64 of file selfspectrum.cpp.

{
  return m_matrix;
}

References m_matrix.

◆ getTrace()

const Trace & pappso::specself::SelfSpectrum::getTrace ( ) const

Definition at line 71 of file selfspectrum.cpp.

{
  return m_trace;
}

References m_trace.

◆ setPrecursorMass()

void pappso::specself::SelfSpectrum::setPrecursorMass	(	const pappso::AaStringCodeMassMatching &	codec_mass_matching,
		double	precursor_mass )

Definition at line 78 of file selfspectrum.cpp.

{
 
  for(auto itmi = ++m_matrix.begin1(); itmi != m_matrix.end1(); ++itmi)
    {
      for(auto itmj = ++itmi.begin(); itmj != itmi.end(); itmj++)
        {
          // itmj.fillSelfDataPoint(m_trace[itmj.index1()],
          // m_trace[itmj.index2()]);
          (*itmj).fillAntiSpectrumDataPoint(
            precursor_mass, codec_mass_matching, m_trace[itmj.index1()], m_trace[itmj.index2()]);
        }
    }
}

References m_matrix, and m_trace.

◆ setVariableModification()

void pappso::specself::SelfSpectrum::setVariableModification	(	const pappso::AaStringCodeMassMatching &	codec_mass_matching,
		const Aa &	aa,
		int	quantifier )

Definition at line 96 of file selfspectrum.cpp.

{
 
  for(auto itmi = ++m_matrix.begin1(); itmi != m_matrix.end1(); ++itmi)
    {
      for(auto itmj = ++itmi.begin(); itmj != itmi.end(); itmj++)
        {
          // itmj.fillSelfDataPoint(m_trace[itmj.index1()],
          // m_trace[itmj.index2()]);
          (*itmj).setVariableModification(codec_mass_matching, aa, quantifier);
        }
    }
}

References m_matrix.

Member Data Documentation

◆ m_matrix

SelfSpectrumMatrix pappso::specself::SelfSpectrum::m_matrix

private

Definition at line 72 of file selfspectrum.h.

Referenced by SelfSpectrum(), getMatrix(), setPrecursorMass(), and setVariableModification().

◆ m_trace

Trace pappso::specself::SelfSpectrum::m_trace