libpappsomspp
Library for mass spectrometry
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#include <peptidenaturalisotopeaverage.h>
Public Member Functions | |
PeptideNaturalIsotopeAverage (const PeptideInterfaceSp &peptide, unsigned int isotopeNumber, unsigned int charge, PrecisionPtr precision) | |
fast constructor simple isotope build, not computing isotope ratio More... | |
PeptideNaturalIsotopeAverage (const PeptideInterfaceSp &peptide, unsigned int askedIsotopeRank, unsigned int isotopeLevel, unsigned int charge, PrecisionPtr precision) | |
PeptideNaturalIsotopeAverage (const PeptideNaturalIsotopeList &isotopeList, unsigned int askedIsotopeRank, unsigned int isotopeLevel, unsigned int charge, PrecisionPtr precision) | |
PeptideNaturalIsotopeAverage (const PeptideNaturalIsotopeAverage &other) | |
virtual | ~PeptideNaturalIsotopeAverage () |
PeptideNaturalIsotopeAverageSp | makePeptideNaturalIsotopeAverageSp () const |
pappso_double | getMz () const |
pappso_double | getIntensityRatio () const |
unsigned int | getCharge () const |
unsigned int | getIsotopeNumber () const |
unsigned int | getIsotopeRank () const |
const std::vector< PeptideNaturalIsotopeSp > & | getComponents () const |
const PeptideInterfaceSp & | getPeptideInterfaceSp () const |
PrecisionPtr | getPrecision () const |
virtual bool | matchPeak (pappso_double peak_mz) const final |
bool | isEmpty () const |
virtual QString | toString () const |
Private Member Functions | |
void | recursiveDepletion (std::vector< PeptideNaturalIsotopeSp > &v_isotope_list, unsigned int rank) |
Private Attributes | |
const PeptideInterfaceSp | mcsp_peptideSp |
std::vector< PeptideNaturalIsotopeSp > | m_peptideNaturalIsotopeSpList |
pappso_double | m_averageMz |
pappso_double | m_abundanceRatio |
unsigned int | m_isotopeLevel |
unsigned int | m_isotopeRank = 1 |
unsigned int | m_z |
PrecisionPtr | mp_precision = nullptr |
Definition at line 42 of file peptidenaturalisotopeaverage.h.
pappso::PeptideNaturalIsotopeAverage::PeptideNaturalIsotopeAverage | ( | const PeptideInterfaceSp & | peptide, |
unsigned int | isotopeNumber, | ||
unsigned int | charge, | ||
PrecisionPtr | precision | ||
) |
fast constructor simple isotope build, not computing isotope ratio
Definition at line 34 of file peptidenaturalisotopeaverage.cpp.
References pappso::DIFFC12C13(), m_abundanceRatio, m_averageMz, and m_peptideNaturalIsotopeSpList.
pappso::PeptideNaturalIsotopeAverage::PeptideNaturalIsotopeAverage | ( | const PeptideInterfaceSp & | peptide, |
unsigned int | askedIsotopeRank, | ||
unsigned int | isotopeLevel, | ||
unsigned int | charge, | ||
PrecisionPtr | precision | ||
) |
Definition at line 54 of file peptidenaturalisotopeaverage.cpp.
pappso::PeptideNaturalIsotopeAverage::PeptideNaturalIsotopeAverage | ( | const PeptideNaturalIsotopeList & | isotopeList, |
unsigned int | askedIsotopeRank, | ||
unsigned int | isotopeLevel, | ||
unsigned int | charge, | ||
PrecisionPtr | precision | ||
) |
Definition at line 68 of file peptidenaturalisotopeaverage.cpp.
References pappso::PeptideNaturalIsotopeList::getByIsotopeNumber(), m_abundanceRatio, m_averageMz, m_z, and recursiveDepletion().
pappso::PeptideNaturalIsotopeAverage::PeptideNaturalIsotopeAverage | ( | const PeptideNaturalIsotopeAverage & | other | ) |
Definition at line 181 of file peptidenaturalisotopeaverage.cpp.
References m_abundanceRatio, m_averageMz, m_isotopeLevel, m_isotopeRank, m_peptideNaturalIsotopeSpList, and m_z.
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Definition at line 197 of file peptidenaturalisotopeaverage.cpp.
unsigned int pappso::PeptideNaturalIsotopeAverage::getCharge | ( | ) | const |
Definition at line 214 of file peptidenaturalisotopeaverage.cpp.
References m_z.
Referenced by toString().
const std::vector< PeptideNaturalIsotopeSp > & pappso::PeptideNaturalIsotopeAverage::getComponents | ( | ) | const |
Definition at line 232 of file peptidenaturalisotopeaverage.cpp.
References m_peptideNaturalIsotopeSpList.
pappso_double pappso::PeptideNaturalIsotopeAverage::getIntensityRatio | ( | ) | const |
Definition at line 208 of file peptidenaturalisotopeaverage.cpp.
References m_abundanceRatio.
Referenced by pappso::MassSpectrumWidget::computeIsotopeMassList(), and pappso::PeptideNaturalIsotopeList::getByIntensityRatio().
unsigned int pappso::PeptideNaturalIsotopeAverage::getIsotopeNumber | ( | ) | const |
Definition at line 220 of file peptidenaturalisotopeaverage.cpp.
References m_isotopeLevel.
Referenced by toString().
unsigned int pappso::PeptideNaturalIsotopeAverage::getIsotopeRank | ( | ) | const |
Definition at line 226 of file peptidenaturalisotopeaverage.cpp.
References m_isotopeRank.
Referenced by pappso::MassSpectrumWidget::computeIsotopeMassList(), pappso::PeptideNaturalIsotopeList::getByIntensityRatio(), and pappso::getByIntensityRatioByIsotopeNumber().
pappso_double pappso::PeptideNaturalIsotopeAverage::getMz | ( | ) | const |
Definition at line 202 of file peptidenaturalisotopeaverage.cpp.
References m_averageMz.
Referenced by matchPeak(), recursiveDepletion(), and toString().
const PeptideInterfaceSp & pappso::PeptideNaturalIsotopeAverage::getPeptideInterfaceSp | ( | ) | const |
Definition at line 238 of file peptidenaturalisotopeaverage.cpp.
References mcsp_peptideSp.
Referenced by toString().
PrecisionPtr pappso::PeptideNaturalIsotopeAverage::getPrecision | ( | ) | const |
Definition at line 244 of file peptidenaturalisotopeaverage.cpp.
References mp_precision.
bool pappso::PeptideNaturalIsotopeAverage::isEmpty | ( | ) | const |
Definition at line 259 of file peptidenaturalisotopeaverage.cpp.
References m_peptideNaturalIsotopeSpList.
Referenced by pappso::getByIntensityRatioByIsotopeNumber().
PeptideNaturalIsotopeAverageSp pappso::PeptideNaturalIsotopeAverage::makePeptideNaturalIsotopeAverageSp | ( | ) | const |
Definition at line 176 of file peptidenaturalisotopeaverage.cpp.
Referenced by pappso::MassSpectrumWidget::computeIsotopeMassList(), pappso::PeptideNaturalIsotopeList::getByIntensityRatio(), and pappso::getByIntensityRatioByIsotopeNumber().
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Definition at line 250 of file peptidenaturalisotopeaverage.cpp.
References getMz(), and mp_precision.
Referenced by pappso::PeptideIsotopeSpectrumMatch::getBestPeakIterator().
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Definition at line 112 of file peptidenaturalisotopeaverage.cpp.
References pappso::MzRange::contains(), getMz(), m_abundanceRatio, m_averageMz, m_isotopeRank, m_peptideNaturalIsotopeSpList, m_z, and mp_precision.
Referenced by PeptideNaturalIsotopeAverage().
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Definition at line 265 of file peptidenaturalisotopeaverage.cpp.
References getCharge(), getIsotopeNumber(), getMz(), and getPeptideInterfaceSp().
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Definition at line 90 of file peptidenaturalisotopeaverage.h.
Referenced by PeptideNaturalIsotopeAverage(), getIntensityRatio(), and recursiveDepletion().
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Definition at line 89 of file peptidenaturalisotopeaverage.h.
Referenced by PeptideNaturalIsotopeAverage(), getMz(), and recursiveDepletion().
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Definition at line 91 of file peptidenaturalisotopeaverage.h.
Referenced by PeptideNaturalIsotopeAverage(), and getIsotopeNumber().
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Definition at line 92 of file peptidenaturalisotopeaverage.h.
Referenced by PeptideNaturalIsotopeAverage(), getIsotopeRank(), and recursiveDepletion().
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Definition at line 87 of file peptidenaturalisotopeaverage.h.
Referenced by PeptideNaturalIsotopeAverage(), getComponents(), isEmpty(), and recursiveDepletion().
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Definition at line 93 of file peptidenaturalisotopeaverage.h.
Referenced by PeptideNaturalIsotopeAverage(), getCharge(), and recursiveDepletion().
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Definition at line 86 of file peptidenaturalisotopeaverage.h.
Referenced by getPeptideInterfaceSp().
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Definition at line 94 of file peptidenaturalisotopeaverage.h.
Referenced by getPrecision(), matchPeak(), and recursiveDepletion().