libpappsomspp
Library for mass spectrometry
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#include <peptiderawfragmentmasses.h>
Public Member Functions | |
PeptideRawFragmentMasses (const Peptide &peptide, RawFragmentationMode mode) | |
~PeptideRawFragmentMasses () | |
void | pushBackIonMasses (std::vector< pappso_double > &mass_list, PeptideIon ion_type) const |
void | pushBackIonMz (std::vector< pappso_double > &mass_list, PeptideIon ion_type, unsigned int charge) const |
void | pushBackMatchSpectrum (std::vector< SimplePeakIonMatch > &peak_match_list, const MassSpectrum &spectrum, PrecisionPtr precision, PeptideIon ion_type, unsigned int charge) const |
Static Public Member Functions | |
static pappso_double | getDeltaMass (PeptideIon ion_type) |
Private Types | |
using | ionDeltatMzMassMap = pappso_double[20] |
Private Attributes | |
std::vector< pappso_double > | m_cumulativeNterMasses |
cumulative Nter masses (without internal Nter modification) More... | |
std::vector< pappso_double > | m_cumulativeCterMasses |
cumulative Cter masses (without internal Cter modification) More... | |
Static Private Attributes | |
static ionDeltatMzMassMap | m_ionDeltaMz |
Definition at line 59 of file peptiderawfragmentmasses.h.
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private |
Definition at line 61 of file peptiderawfragmentmasses.h.
pappso::PeptideRawFragmentMasses::PeptideRawFragmentMasses | ( | const Peptide & | peptide, |
RawFragmentationMode | mode | ||
) |
Definition at line 62 of file peptiderawfragmentmasses.cpp.
References pappso::Peptide::begin(), pappso::Peptide::end(), pappso::Peptide::getInternalCterModification(), pappso::Peptide::getInternalNterModification(), pappso::AaModification::getMass(), m_cumulativeCterMasses, m_cumulativeNterMasses, pappso::proline_effect, pappso::Peptide::rbegin(), and pappso::Peptide::rend().
pappso::PeptideRawFragmentMasses::~PeptideRawFragmentMasses | ( | ) |
Definition at line 225 of file peptiderawfragmentmasses.cpp.
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static |
Definition at line 56 of file peptiderawfragmentmasses.cpp.
References m_ionDeltaMz.
Referenced by pappso::PeptideFragmentIon::PeptideFragmentIon().
void pappso::PeptideRawFragmentMasses::pushBackIonMasses | ( | std::vector< pappso_double > & | mass_list, |
PeptideIon | ion_type | ||
) | const |
Definition at line 145 of file peptiderawfragmentmasses.cpp.
References m_cumulativeCterMasses, m_cumulativeNterMasses, m_ionDeltaMz, and pappso::peptideIonIsNter().
void pappso::PeptideRawFragmentMasses::pushBackIonMz | ( | std::vector< pappso_double > & | mass_list, |
PeptideIon | ion_type, | ||
unsigned int | charge | ||
) | const |
Definition at line 163 of file peptiderawfragmentmasses.cpp.
References m_cumulativeCterMasses, m_cumulativeNterMasses, m_ionDeltaMz, pappso::MHPLUS(), and pappso::peptideIonIsNter().
Referenced by pappso::MorpheusScore::MorpheusScore(), and pushBackMatchSpectrum().
void pappso::PeptideRawFragmentMasses::pushBackMatchSpectrum | ( | std::vector< SimplePeakIonMatch > & | peak_match_list, |
const MassSpectrum & | spectrum, | ||
PrecisionPtr | precision, | ||
PeptideIon | ion_type, | ||
unsigned int | charge | ||
) | const |
Definition at line 184 of file peptiderawfragmentmasses.cpp.
References pappso::MzRange::lower(), pushBackIonMz(), and pappso::MzRange::upper().
Referenced by pappso::XtandemHyperscoreBis::computeXtandemHyperscore().
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private |
cumulative Cter masses (without internal Cter modification)
Definition at line 72 of file peptiderawfragmentmasses.h.
Referenced by PeptideRawFragmentMasses(), pushBackIonMasses(), and pushBackIonMz().
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private |
cumulative Nter masses (without internal Nter modification)
Definition at line 68 of file peptiderawfragmentmasses.h.
Referenced by PeptideRawFragmentMasses(), pushBackIonMasses(), and pushBackIonMz().
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staticprivate |
Definition at line 64 of file peptiderawfragmentmasses.h.
Referenced by getDeltaMass(), pushBackIonMasses(), and pushBackIonMz().