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.