libpappsomspp
Library for mass spectrometry
Public Member Functions | Public Attributes | List of all members
pappso::IsotopeCount Struct Reference

#include <chemicalformula.h>

Public Member Functions

const QString toString () const
 

Public Attributes

Isotope isotope
 
std::int16_t count
 

Detailed Description

Definition at line 35 of file chemicalformula.h.

Member Function Documentation

◆ toString()

const QString pappso::IsotopeCount::toString ( ) const

Definition at line 36 of file chemicalformula.cpp.

37{
38 QString atom;
39 switch(isotope)
40 {
41 case pappso::Isotope::C:
42 atom = "C";
43 break;
44 case pappso::Isotope::C13:
45 atom = "(13)C";
46 break;
47 case pappso::Isotope::H:
48 atom = "H";
49 break;
50 case pappso::Isotope::H2:
51 atom = "(2)H";
52 break;
53 case pappso::Isotope::N:
54 atom = "N";
55 break;
56 case pappso::Isotope::N15:
57 atom = "(15)N";
58 break;
59 case pappso::Isotope::O:
60 atom = "O";
61 break;
62 case pappso::Isotope::O17:
63 atom = "(17)O";
64 break;
65 case pappso::Isotope::O18:
66 atom = "(18)O";
67 break;
68 case pappso::Isotope::P:
69 atom = "P";
70 break;
71 case pappso::Isotope::S:
72 atom = "S";
73 break;
74 case pappso::Isotope::S33:
75 atom = "(33)S";
76 break;
77 case pappso::Isotope::S34:
78 atom = "(34)S";
79 break;
80 case pappso::Isotope::S36:
81 atom = "(36)S";
82 break;
83 }
84 return QString("%1 %2").arg(atom).arg(count);
85}

References pappso::C, pappso::C13, count, pappso::H, pappso::H2, isotope, pappso::N, pappso::N15, pappso::O, pappso::O17, pappso::O18, pappso::P, pappso::S, pappso::S33, pappso::S34, and pappso::S36.

Member Data Documentation

◆ count

std::int16_t pappso::IsotopeCount::count

Definition at line 39 of file chemicalformula.h.

Referenced by pappso::ChemicalFormula::addIsotopeCount(), pappso::ChemicalFormula::setFullIsotope(), pappso::ChemicalFormula::simplify(), and toString().

◆ isotope

Isotope pappso::IsotopeCount::isotope

Definition at line 38 of file chemicalformula.h.

Referenced by pappso::ChemicalFormula::addIsotopeCount(), pappso::ChemicalFormula::simplify(), and toString().

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