libpappsomspp
Library for mass spectrometry
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#include <peptidenaturalisotope.h>
Public Member Functions | |
PeptideNaturalIsotope (const PeptideInterfaceSp &peptide, const std::map< Isotope, int > &map_isotope) | |
PeptideNaturalIsotope (const PeptideNaturalIsotope &other) | |
virtual | ~PeptideNaturalIsotope () |
virtual unsigned int | size () const override |
virtual const QString | getSequence () const override |
amino acid sequence without modification More... | |
pappso_double | getMass () const override |
virtual int | getNumberOfAtom (AtomIsotopeSurvey atom) const override |
get the number of atom C, O, N, H in the molecule More... | |
virtual int | getNumberOfIsotope (Isotope isotope) const override |
get the number of isotopes C13, H2, O17, O18, N15, S33, S34, S36 in the molecule More... | |
pappso_double | getIntensityRatio (unsigned int charge) const |
const std::map< Isotope, int > & | getIsotopeMap () const |
virtual unsigned int | getIsotopeNumber () const |
virtual bool | isPalindrome () const override |
tells if the peptide sequence is a palindrome More... | |
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virtual const QString | getSequenceLi () const |
amino acid sequence without modification where L are replaced by I More... | |
virtual const QString | getName () const |
virtual const QString | getFormula (unsigned int charge) const final |
virtual bool | matchPeak (PrecisionPtr precision, pappso_double peak_mz, unsigned int charge) const final |
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Ion () | |
~Ion () | |
virtual pappso_double | getMz (unsigned int charge) const final |
Private Attributes | |
const PeptideInterfaceSp | m_peptide |
const std::map< Isotope, int > | m_mapIsotope |
pappso_double | m_ratio |
pappso_double | m_mass |
Definition at line 45 of file peptidenaturalisotope.h.
pappso::PeptideNaturalIsotope::PeptideNaturalIsotope | ( | const PeptideInterfaceSp & | peptide, |
const std::map< Isotope, int > & | map_isotope | ||
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Definition at line 201 of file peptidenaturalisotope.cpp.
References pappso::C, pappso::C13, pappso::DIFFC12C13(), pappso::DIFFH1H2(), pappso::DIFFN14N15(), pappso::DIFFO16O17(), pappso::DIFFO16O18(), pappso::DIFFS32S33(), pappso::DIFFS32S34(), pappso::DIFFS32S36(), pappso::H2, pappso::isotopem_ratio_cache(), m_mapIsotope, m_mass, m_peptide, m_ratio, pappso::N, pappso::N15, pappso::O, pappso::O17, pappso::O18, pappso::S, pappso::S33, pappso::S34, and pappso::S36.
pappso::PeptideNaturalIsotope::PeptideNaturalIsotope | ( | const PeptideNaturalIsotope & | other | ) |
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virtual |
Definition at line 284 of file peptidenaturalisotope.cpp.
pappso_double pappso::PeptideNaturalIsotope::getIntensityRatio | ( | unsigned int | charge | ) | const |
Definition at line 298 of file peptidenaturalisotope.cpp.
References pappso::H, pappso::H2, pappso::isotopem_ratio_cache(), m_mapIsotope, m_peptide, and m_ratio.
const std::map< Isotope, int > & pappso::PeptideNaturalIsotope::getIsotopeMap | ( | ) | const |
Definition at line 324 of file peptidenaturalisotope.cpp.
References m_mapIsotope.
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virtual |
Definition at line 350 of file peptidenaturalisotope.cpp.
References pappso::C13, pappso::H2, m_mapIsotope, pappso::N15, pappso::O17, pappso::O18, pappso::S33, pappso::S34, and pappso::S36.
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overridevirtual |
Implements pappso::Ion.
Definition at line 290 of file peptidenaturalisotope.cpp.
References m_mass.
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overridevirtual |
get the number of atom C, O, N, H in the molecule
Implements pappso::AtomNumberInterface.
Definition at line 311 of file peptidenaturalisotope.cpp.
References m_peptide.
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overridevirtual |
get the number of isotopes C13, H2, O17, O18, N15, S33, S34, S36 in the molecule
Implements pappso::AtomNumberInterface.
Definition at line 317 of file peptidenaturalisotope.cpp.
References m_mapIsotope, and m_peptide.
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overridevirtual |
amino acid sequence without modification
Implements pappso::PeptideInterface.
Definition at line 344 of file peptidenaturalisotope.cpp.
References m_peptide.
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overridevirtual |
tells if the peptide sequence is a palindrome
Implements pappso::PeptideInterface.
Definition at line 331 of file peptidenaturalisotope.cpp.
References m_peptide.
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overridevirtual |
Implements pappso::PeptideInterface.
Definition at line 338 of file peptidenaturalisotope.cpp.
References m_peptide.
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private |
Definition at line 71 of file peptidenaturalisotope.h.
Referenced by PeptideNaturalIsotope(), getIntensityRatio(), getIsotopeMap(), getIsotopeNumber(), and getNumberOfIsotope().
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private |
Definition at line 73 of file peptidenaturalisotope.h.
Referenced by PeptideNaturalIsotope(), and getMass().
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private |
Definition at line 69 of file peptidenaturalisotope.h.
Referenced by PeptideNaturalIsotope(), getIntensityRatio(), getNumberOfAtom(), getNumberOfIsotope(), getSequence(), isPalindrome(), and size().
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private |
Definition at line 72 of file peptidenaturalisotope.h.
Referenced by PeptideNaturalIsotope(), and getIntensityRatio().