libpappsomspp
Library for mass spectrometry
peptidenaturalisotope.cpp File Reference

peptide natural isotope model More...

#include "peptidenaturalisotope.h"
#include "../pappsoexception.h"
#include <cmath>
#include <QDebug>

Go to the source code of this file.

Namespaces

 pappso
 tries to keep as much as possible monoisotopes, removing any possible C13 peaks and changes multicharge peaks to monocharge
 

Macros

#define CACHE_ARRAY_SIZE   500
 

Enumerations

enum class  pappso::AtomIsotope {
  pappso::C , pappso::H , pappso::O , pappso::N ,
  pappso::S
}
 

Functions

uint64_t pappso::Combinations (unsigned int n, unsigned int k)
 
pappso_double pappso::isotopem_ratio (pappso_double abundance, unsigned int total, unsigned int heavy)
 
pappso_double pappso::isotopem_ratio_cache (Isotope isotope, unsigned int total, unsigned int heavy)
 

Variables

uint64_t pappso::combinations_cache [CACHE_ARRAY_SIZE][CACHE_ARRAY_SIZE] = {0}
 
pappso_double pappso::ratioC13_cache [CACHE_ARRAY_SIZE][CACHE_ARRAY_SIZE] = {0}
 
pappso_double pappso::ratioN15_cache [CACHE_ARRAY_SIZE][CACHE_ARRAY_SIZE] = {0}
 
pappso_double pappso::ratioS36_cache [CACHE_ARRAY_SIZE][CACHE_ARRAY_SIZE] = {0}
 
pappso_double pappso::ratioS34_cache [CACHE_ARRAY_SIZE][CACHE_ARRAY_SIZE] = {0}
 
pappso_double pappso::ratioS33_cache [CACHE_ARRAY_SIZE][CACHE_ARRAY_SIZE] = {0}
 
pappso_double pappso::ratioO17_cache [CACHE_ARRAY_SIZE][CACHE_ARRAY_SIZE] = {0}
 
pappso_double pappso::ratioO18_cache [CACHE_ARRAY_SIZE][CACHE_ARRAY_SIZE] = {0}
 
pappso_double pappso::ratioH2_cache [CACHE_ARRAY_SIZE][CACHE_ARRAY_SIZE] = {0}
 

Detailed Description

peptide natural isotope model

Date
8/3/2015
Author
Olivier Langella

Definition in file peptidenaturalisotope.cpp.

Macro Definition Documentation

◆ CACHE_ARRAY_SIZE

#define CACHE_ARRAY_SIZE   500

Definition at line 42 of file peptidenaturalisotope.cpp.