libpappsomspp
Library for mass spectrometry
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pappso::specself::SelfSpectrum Class Reference

#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 SelfSpectrumMatrixgetMatrix () const
 
const TracegetTrace () 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.

40{
41 m_trace = trace;
42 m_matrix.resize(m_trace.size(), m_trace.size());
43
44 qDebug() << m_trace.size();
45 for(auto itmi = ++m_matrix.begin1(); itmi != m_matrix.end1(); ++itmi)
46 {
47 qDebug() << itmi.index1();
48 for(auto itmj = ++itmi.begin(); itmj != itmi.end(); itmj++)
49 {
50 // itmj.fillSelfDataPoint(m_trace[itmj.index1()],
51 // m_trace[itmj.index2()]);
52 (*itmj).fillSelfSpectrumDataPoint(codec_mass_matching,
53 m_trace[itmj.index1()],
54 m_trace[itmj.index2()]);
55 }
56 }
57
58 qDebug();
59}
SelfSpectrumMatrix m_matrix

References m_matrix, and m_trace.

◆ ~SelfSpectrum()

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

Destructor

Definition at line 61 of file selfspectrum.cpp.

62{
63}

Member Function Documentation

◆ getMatrix()

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

Definition at line 66 of file selfspectrum.cpp.

67{
68 return m_matrix;
69}

References m_matrix.

◆ getTrace()

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

Definition at line 73 of file selfspectrum.cpp.

74{
75 return m_trace;
76}

References m_trace.

◆ setPrecursorMass()

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

Definition at line 80 of file selfspectrum.cpp.

83{
84
85 for(auto itmi = ++m_matrix.begin1(); itmi != m_matrix.end1(); ++itmi)
86 {
87 for(auto itmj = ++itmi.begin(); itmj != itmi.end(); itmj++)
88 {
89 // itmj.fillSelfDataPoint(m_trace[itmj.index1()],
90 // m_trace[itmj.index2()]);
91 (*itmj).fillAntiSpectrumDataPoint(precursor_mass,
92 codec_mass_matching,
93 m_trace[itmj.index1()],
94 m_trace[itmj.index2()]);
95 }
96 }
97}

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 101 of file selfspectrum.cpp.

105{
106
107 for(auto itmi = ++m_matrix.begin1(); itmi != m_matrix.end1(); ++itmi)
108 {
109 for(auto itmj = ++itmi.begin(); itmj != itmi.end(); itmj++)
110 {
111 // itmj.fillSelfDataPoint(m_trace[itmj.index1()],
112 // m_trace[itmj.index2()]);
113 (*itmj).setVariableModification(codec_mass_matching, aa, quantifier);
114 }
115 }
116}

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
private

Definition at line 71 of file selfspectrum.h.

Referenced by SelfSpectrum(), getTrace(), and setPrecursorMass().


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