AbundanceData Class Reference

Class to load abundance information for natural isotopse. More...

#include <abundanceParser.h>

Public Member Functions
size_t	open (const char *file, bool strict=false)
	Attempt to open the abundance data file, return 0 on success. More...
size_t	numIsotopes () const
size_t	numElements () const
size_t	symbolIndex (const char *symbol) const
void	getSymbolIndices (const std::vector< std::string > &symbols, std::vector< size_t > &indices) const
std::string	elementName (size_t elemIdx) const
const std::vector< ISOTOPE_DATA > &	isotopes (size_t offset) const
void	generateIsotopeDist (const std::vector< size_t > &elementIdx, const std::vector< size_t > &frequency, std::vector< std::pair< float, float > > &massDist, size_t solutionCharge=1) const
void	generateSingleAtomDist (size_t atomIdx, unsigned int repeatCount, std::vector< std::pair< float, float > > &massDist, size_t solutionCharge=1) const
const ISOTOPE_DATA &	isotope (size_t elementIdx, size_t isotopeIdx) const

Static Public Member Functions
static const char *	getErrorText (size_t errorCode)

Detailed Description

Class to load abundance information for natural isotopse.

Member Function Documentation

elementName()

std::string AbundanceData::elementName ( size_t  elemIdx ) const

inline

generateIsotopeDist()

void AbundanceData::generateIsotopeDist	(	const std::vector< size_t > &	elementIdx,
		const std::vector< size_t > &	frequency,
		std::vector< std::pair< float, float > > &	massDist,
		size_t	solutionCharge = 1
	)		const

References ASSERT, and vectorMultiErase().

Referenced by getSymbolIndices(), and RangeEditorDialog::OnTextOverlayEnter().

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generateSingleAtomDist()

void AbundanceData::generateSingleAtomDist	(	size_t	atomIdx,
		unsigned int	repeatCount,
		std::vector< std::pair< float, float > > &	massDist,
		size_t	solutionCharge = 1
	)		const

getErrorText()

const char * AbundanceData::getErrorText ( size_t  errorCode )

static

References ABUNDANCE_ERROR, and ASSERT.

getSymbolIndices()

void AbundanceData::getSymbolIndices	(	const std::vector< std::string > &	symbols,
		std::vector< size_t > &	indices
	)		const

References ASSERT, generateIsotopeDist(), open(), symbolIndex(), and TEST.

Referenced by RangeEditorDialog::OnTextOverlayEnter().

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isotope()

const ISOTOPE_DATA & AbundanceData::isotope	(	size_t	elementIdx,
		size_t	isotopeIdx
	)		const

isotopes()

const std::vector<ISOTOPE_DATA>& AbundanceData::isotopes ( size_t  offset ) const

inline

numElements()

size_t AbundanceData::numElements

(

)

const

numIsotopes()

size_t AbundanceData::numIsotopes

(

)

const

open()

size_t AbundanceData::open	(	const char *	file,
		bool	strict = false
	)

Attempt to open the abundance data file, return 0 on success.

References ISOTOPE_DATA::abundance, ISOTOPE_DATA::abundanceError, ISOTOPE_DATA::atomicNumber, ISOTOPE_DATA::mass, ISOTOPE_DATA::massError, ISOTOPE_DATA::massNumber, ISOTOPE_DATA::symbol, XMLHelpFwdToElem(), and XMLHelpGetProp().

Referenced by getSymbolIndices(), and RangeEditorDialog::RangeEditorDialog().

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symbolIndex()

size_t AbundanceData::symbolIndex

(

const char *

symbol

)

const

Referenced by getSymbolIndices().

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

• abundanceParser.h
• abundanceParser.cpp