libpappsomspp
Library for mass spectrometry
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#include <peptideinterface.h>
Public Member Functions | |
virtual const QString | getSequence () const =0 |
amino acid sequence without modification More... | |
virtual bool | isPalindrome () const =0 |
tells if the peptide sequence is a palindrome More... | |
virtual const QString | getSequenceLi () const |
amino acid sequence without modification where L are replaced by I More... | |
virtual unsigned int | size () const =0 |
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 | getMass () const =0 |
virtual pappso_double | getMz (unsigned int charge) const final |
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virtual int | getNumberOfAtom (AtomIsotopeSurvey atom) const =0 |
get the number of atom C, O, N, H in the molecule More... | |
virtual int | getNumberOfIsotope (Isotope isotope) const =0 |
get the number of isotopes C13, H2, O17, O18, N15, S33, S34, S36 in the molecule More... | |
Definition at line 42 of file peptideinterface.h.
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finalvirtual |
Definition at line 36 of file peptideinterface.cpp.
References pappso::C13, pappso::AtomNumberInterface::getNumberOfAtom(), and pappso::AtomNumberInterface::getNumberOfIsotope().
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inlinevirtual |
Reimplemented in pappso::PeptideFragmentIon.
Definition at line 60 of file peptideinterface.h.
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pure virtual |
amino acid sequence without modification
Implemented in pappso::PeptideNaturalIsotope, pappso::PeptideFragmentIon, pappso::PeptideFragment, and pappso::Peptide.
Referenced by getSequenceLi().
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virtual |
amino acid sequence without modification where L are replaced by I
Definition at line 31 of file peptideinterface.cpp.
References getSequence().
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pure virtual |
tells if the peptide sequence is a palindrome
Implemented in pappso::PeptideNaturalIsotope, pappso::PeptideFragmentIon, pappso::PeptideFragment, and pappso::Peptide.
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inlinefinalvirtual |
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pure virtual |
Implemented in pappso::PeptideNaturalIsotope, pappso::PeptideFragmentIon, pappso::PeptideFragment, and pappso::Peptide.