pappso::AtomNumberInterface Class Reference

#include <atomnumberinterface.h>

Inheritance diagram for pappso::AtomNumberInterface:

Public Member Functions
virtual int	getNumberOfAtom (Enums::AtomIsotopeSurvey atom) const =0
	get the number of atom C, O, N, H in the molecule
virtual int	getNumberOfIsotope (Enums::Isotope isotope) const =0
	get the number of isotopes C13, H2, O17, O18, N15, S33, S34, S36 in the molecule
virtual const ChemicalFormula	getChemicalFormula () const

Detailed Description

Definition at line 29 of file atomnumberinterface.h.

Member Function Documentation

getChemicalFormula()

const pappso::ChemicalFormula pappso::AtomNumberInterface::getChemicalFormula ( ) const

virtual

Reimplemented in pappso::Peptide.

Definition at line 25 of file atomnumberinterface.cpp.

{
  ChemicalFormula formula(*this);
  return formula;
}

getNumberOfAtom()

virtual int pappso::AtomNumberInterface::getNumberOfAtom ( Enums::AtomIsotopeSurvey atom ) const

pure virtual

get the number of atom C, O, N, H in the molecule

Implemented in pappso::Aa, pappso::AaBase, pappso::AaModification, pappso::ChemicalFormula, pappso::Peptide, pappso::PeptideFragment, pappso::PeptideFragmentIon, and pappso::PeptideNaturalIsotope.

Referenced by pappso::ChemicalFormula::ChemicalFormula(), and pappso::PeptideInterface::getFormula().

getNumberOfIsotope()

virtual int pappso::AtomNumberInterface::getNumberOfIsotope ( Enums::Isotope isotope ) const

pure virtual

get the number of isotopes C13, H2, O17, O18, N15, S33, S34, S36 in the molecule

Implemented in pappso::Aa, pappso::AaBase, pappso::AaModification, pappso::ChemicalFormula, pappso::Peptide, pappso::PeptideFragment, pappso::PeptideFragmentIon, and pappso::PeptideNaturalIsotope.

Referenced by pappso::ChemicalFormula::ChemicalFormula(), and pappso::PeptideInterface::getFormula().

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The documentation for this class was generated from the following files:

• pappsomspp/core/amino_acid/atomnumberinterface.h
• pappsomspp/core/amino_acid/atomnumberinterface.cpp