libpappsomspp
Library for mass spectrometry
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#include <selfspectrumdatapoint.h>
Public Member Functions | |
void | fillSelfSpectrumDataPoint (const pappso::AaStringCodeMassMatching &codec_mass_matching, const DataPoint &peak1, const DataPoint &peak2) |
void | fillAntiSpectrumDataPoint (double precursor_mass, const pappso::AaStringCodeMassMatching &codec_mass_matching, const DataPoint &peak1, const DataPoint &peak2) |
void | setVariableModification (const pappso::AaStringCodeMassMatching &codec_mass_matching, const Aa &aa, int quantifier) |
Public Attributes | |
bool | m_isComplement =false |
double | massDelta |
double | antiMassDelta |
std::vector< uint32_t > | aaCodeList |
std::vector< uint32_t > | antiAaCodeList |
Definition at line 38 of file selfspectrumdatapoint.h.
void pappso::specself::SelfSpectrumDataPoint::fillAntiSpectrumDataPoint | ( | double | precursor_mass, |
const pappso::AaStringCodeMassMatching & | codec_mass_matching, | ||
const DataPoint & | peak1, | ||
const DataPoint & | peak2 | ||
) |
Definition at line 62 of file selfspectrumdatapoint.cpp.
References antiAaCodeList, antiMassDelta, pappso::AaStringCodeMassMatching::getAaCodeFromMass(), pappso::PrecisionBase::getNominal(), pappso::AaStringCodeMassMatching::getPrecisionPtr(), m_isComplement, pappso::MHPLUS(), and pappso::DataPoint::x.
void pappso::specself::SelfSpectrumDataPoint::fillSelfSpectrumDataPoint | ( | const pappso::AaStringCodeMassMatching & | codec_mass_matching, |
const DataPoint & | peak1, | ||
const DataPoint & | peak2 | ||
) |
Definition at line 38 of file selfspectrumdatapoint.cpp.
References aaCodeList, antiAaCodeList, antiMassDelta, pappso::AaStringCodeMassMatching::getAaCodeFromMass(), massDelta, and pappso::DataPoint::x.
void pappso::specself::SelfSpectrumDataPoint::setVariableModification | ( | const pappso::AaStringCodeMassMatching & | codec_mass_matching, |
const Aa & | aa, | ||
int | quantifier | ||
) |
Definition at line 89 of file selfspectrumdatapoint.cpp.
References aaCodeList, antiAaCodeList, antiMassDelta, pappso::AaStringCodeMassMatching::getAaCodeFromMassWearingModification(), and massDelta.
std::vector<uint32_t> pappso::specself::SelfSpectrumDataPoint::aaCodeList |
Definition at line 59 of file selfspectrumdatapoint.h.
Referenced by fillSelfSpectrumDataPoint(), and setVariableModification().
std::vector<uint32_t> pappso::specself::SelfSpectrumDataPoint::antiAaCodeList |
Definition at line 60 of file selfspectrumdatapoint.h.
Referenced by fillAntiSpectrumDataPoint(), fillSelfSpectrumDataPoint(), and setVariableModification().
double pappso::specself::SelfSpectrumDataPoint::antiMassDelta |
Definition at line 58 of file selfspectrumdatapoint.h.
Referenced by fillAntiSpectrumDataPoint(), fillSelfSpectrumDataPoint(), and setVariableModification().
bool pappso::specself::SelfSpectrumDataPoint::m_isComplement =false |
Definition at line 56 of file selfspectrumdatapoint.h.
Referenced by fillAntiSpectrumDataPoint().
double pappso::specself::SelfSpectrumDataPoint::massDelta |
Definition at line 57 of file selfspectrumdatapoint.h.
Referenced by fillSelfSpectrumDataPoint(), and setVariableModification().