species.h File Reference

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Classes
class	species
struct	t_pseudo_cont

Functions
void	db_basename_to_spectral (const string &chBasename, string &chElement, char *chSpecLabel)
void	parsespect (const char *chLabel, long &nelem, long &IonStg)
string	makeChemical (long nelem, long ion)
void	makeChemical (char *chLabelChemical, long nelem, long ion)
void	spectral_to_chemical (char *chLabelSpec, const char *chLabelChem)
void	spectral_to_chemical (string &chLabelSpec, const char *chLabelChem)
bool	parse_chemical (const string &chLabelChem, string &chElemMol, long &spCharge)
void	chemical_to_spectral (const string &chLabelChem, string &chLabelSpec)
bool	isSpeciesActive (const string &chSpecLabel)
bool	isAtomicIonValid (const long element_index, const long spCharge)
bool	isBareNucleus (const long element_index, const long spCharge)

Variables
t_pseudo_cont	pseudoContDef

Function Documentation

void chemical_to_spectral	(	const string &	chLabelChem,
		string &	chLabelSpec
	)

chemical_to_spectral - Convert a chemical label to spectral.

Parameters

chLabelChem[in]	Chemical label, e.g., "C+"
chLabelSpec[out]	Spectral label, e.g., "C 2"

References DEBUG_ENTRY, elem_symbol_to_index(), isAtomicIonValid(), isBareNucleus(), isElementSym(), and parse_chemical().

Referenced by SaveAllSpeciesLabelsLevels(), SaveSpeciesLines(), and band_emission::setup().

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void db_basename_to_spectral	(	const string &	chBasename,
		string &	chElement,
		char *	chSpecLabel
	)

db_basename_to_spectral - Convert the species basename in Stout or Chianti to a spectral label.

Parameters

chBasename[in]	File basename, e.g., "c_2"
chElement[out]	Extracted element name, e.g., "C"
chSpecLabel[out]	Spectral label, e.g., "C 2"

References ASSERT, DEBUG_ENTRY, toupper(), and uncaps().

Referenced by database_readin().

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bool isAtomicIonValid	(	const long	element_index,
		const long	spCharge
	)

isAtomicIonValid - Tell if an atomic ion is has a charge consistent with its atomic number.

Parameters

element_index[in]	Zero-offset index for element; 0 for H, 29 for Zn
spCharge[in]	Species charge

Returns

bool True, if ion is valid; false, otherwise.

References ASSERT, and DEBUG_ENTRY.

Referenced by cdTemp(), and chemical_to_spectral().

bool isBareNucleus	(	const long	element_index,
		const long	spCharge
	)

isBareNucleus - Tell if the given ion is a bare nucleus.

Parameters

element_index[in]	Zero-offset index for element; 0 for H, 29 for Zn
spCharge[in]	Species charge

Returns

bool True, if ion is bare nucleus; false, otherwise.

References ASSERT, and DEBUG_ENTRY.

Referenced by chemical_to_spectral().

bool isSpeciesActive

(

const string &

chSpecLabel

)

isSpeciesActive - Tell if the species is enabled

An atomic/ionic species may be inactive if the relevant element is disabled. Likewise, a molecular species may be inactive if one of its constituents elements is disabled. This function reports on the given species. If not found, the result is false.

Parameters

chLabelChem

[in] Chemical label, e.g., "C+2", or "HCl"

Returns

bool True, if species active; false, otherwise.

References DEBUG_ENTRY, t_mole_global::list, mole, mole_global, NULL, and t_mole_local::species.

Referenced by SpeciesBandsCreate().

string makeChemical	(	long	nelem,
		long	ion
	)

References t_elementnames::chElementSym, DEBUG_ENTRY, and elementnames.

Referenced by InitCoreloadPostparse(), iso_allocate(), iso_level(), lines(), makeChemical(), save_opacity(), setProperties(), and spectral_to_chemical().

void makeChemical	(	char *	chLabelChemical,
		long	nelem,
		long	ion
	)

References CHARS_SPECIES, DEBUG_ENTRY, and makeChemical().

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bool parse_chemical	(	const string &	chLabelChem,
		string &	chElemMol,
		long &	spCharge
	)

parse_chemical - Parse the element and charge of a chemical label.

Parameters

chLabelChem[in]	Chemical label, e.g., "C+2", or "HCl"
chElemMol[out]	Element or molecule, e.g., "C", or "HCl"
spCharge[out]	Species charge, e.g., 2, or 0

Returns

bool True, if successful; false, otherwise.

References DEBUG_ENTRY, fprintf(), and ioQQQ.

Referenced by cdTemp(), and chemical_to_spectral().

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void parsespect	(	const char *	chLabel,
		long &	nelem,
		long &	IonStg
	)

References t_elementnames::chElementSym, DEBUG_ENTRY, elementnames, and LIMELM.

Referenced by lines(), setProperties(), and spectral_to_chemical().

void spectral_to_chemical	(	char *	chLabelSpec,
		const char *	chLabelChem
	)

spectral_to_chemical - Convert a spectral label to chemical.

Parameters

chLabelSpec[in]	Spectral label, e.g., "C 2"
chLabelChem[out]	Chemical label, e.g., "C+"

References DEBUG_ENTRY, and spectral_to_chemical().

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void spectral_to_chemical	(	string &	chLabelSpec,
		const char *	chLabelChem
	)

spectral_to_chemical - Convert a spectral label to chemical.

Parameters

chLabelSpec[in]	Spectral label, e.g., "C 2"
chLabelChem[out]	Chemical label, e.g., "C+"

References DEBUG_ENTRY, NCHLAB, and spectral_to_chemical().

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Variable Documentation

t_pseudo_cont pseudoContDef

Referenced by InitDefaultsPreparse().