molecule Struct Reference

#include <mole.h>

Collaboration diagram for molecule:

[legend]

Data Fields
int	nElem [LIMELM]
int	nelem_hevmol
char	label [CHARS_SPECIES]
int	nElec
int	Excit
bool	lgGas_Phase
int	n_nuclei
realnum	hevmol
realnum	hev_reinit
realnum *	location
realnum	hevcol
realnum	hevcol_old
realnum	pdr_mole_co
realnum	xMoleFracMax
realnum	mole_mass
realnum	co_save
realnum	comole_save
realnum	hevmol_save
int	active
int	index

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Detailed Description

Definition at line 489 of file mole.h.

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Field Documentation

int molecule::active

Definition at line 510 of file mole.h.

Referenced by CO_Init(), isactive(), newreact(), and newspecies().

realnum molecule::co_save

Definition at line 507 of file mole.h.

Referenced by lgMolecAver(), and newspecies().

realnum molecule::comole_save

previous solution to molecular network

Definition at line 508 of file mole.h.

Referenced by ConvBase().

int molecule::Excit

Definition at line 494 of file mole.h.

Referenced by newspecies().

realnum molecule::hev_reinit

the density (cm-3) of each species

Definition at line 498 of file mole.h.

Referenced by lgMolecAver().

realnum molecule::hevcol

Location of density in non-molecule code, if it exists

Definition at line 500 of file mole.h.

Referenced by cdColm(), CO_Init(), CO_zero(), ConvIterCheck(), iter_end_check(), IterRestart(), IterStart(), molcol(), radius_next(), RT_tau_reset(), and th85rate_co().

realnum molecule::hevcol_old

total column density in this iteration

Definition at line 501 of file mole.h.

Referenced by ConvIterCheck(), and RT_tau_reset().

realnum molecule::hevmol

total number of nuclei in species

Definition at line 497 of file mole.h.

Referenced by ChemImportance(), CO_dissoc_rate(), CO_drive(), CO_findrate(), CO_Init(), CO_punch_mol(), CO_sink_rate(), CO_solve(), CO_source_rate(), CO_step(), CO_update_species_cache(), CO_zero(), ConvBase(), dBase_solve(), eden_sum(), GrainCollHeating(), HeatSum(), hmole(), hmole_step(), IterRestart(), IterStart(), lgMolecAver(), molcol(), OpacityAddTotal(), PressureChange(), PresTotCurrent(), radius_increment(), radius_next(), and SaveDo().

realnum molecule::hevmol_save

Definition at line 509 of file mole.h.

Referenced by IterRestart(), and IterStart().

int molecule::index

Definition at line 511 of file mole.h.

Referenced by CO_Init(), CO_step(), CoStarListModels(), FindHCoStar(), InitGridCoStar(), InitIndexArrays(), InterpolateGridCoStar(), InterpolateRectGrid(), prt_smooth_predictions(), radius_increment(), and SetLimits().

char molecule::label[CHARS_SPECIES]

this is the atomic number MINUS ONE of the main element within the molecule

Definition at line 492 of file mole.h.

Referenced by ConvBase(), newspecies(), PrtComment(), radius_next(), and SaveDo().

bool molecule::lgGas_Phase

Definition at line 495 of file mole.h.

Referenced by ChemImportance(), iter_end_check(), newspecies(), PresTotCurrent(), and radius_next().

realnum* molecule::location

Definition at line 499 of file mole.h.

Referenced by CO_update_species_cache(), and newspecies().

realnum molecule::mole_mass

Definition at line 506 of file mole.h.

Referenced by CO_Init(), grn_abs(), newreact(), newspecies(), th85rate_co(), and vib_evap().

int molecule::n_nuclei

is this in solid or gas phase?

Definition at line 496 of file mole.h.

Referenced by ChemImportance(), CO_Init(), newspecies(), and radius_next().

int molecule::nElec

molecule name

Definition at line 493 of file mole.h.

Referenced by CO_Init(), eden_sum(), ele_ion_ladder(), newspecies(), and noneq_offset().

int molecule::nElem[LIMELM]

Definition at line 490 of file mole.h.

Referenced by CO_solve(), DynaStartZone(), hmole(), and newspecies().

int molecule::nelem_hevmol

number of O, C, Si, N, S, and e- in each molecule

Definition at line 491 of file mole.h.

Referenced by ChemImportance(), CO_Init(), CO_solve(), ConvBase(), ele_ion_ladder(), newspecies(), PrtComment(), radius_increment(), and radius_next().

realnum molecule::pdr_mole_co

column density in previous iteration

Definition at line 502 of file mole.h.

Referenced by lgMolecAver(), and newspecies().

realnum molecule::xMoleFracMax

default solution for initialization

Definition at line 505 of file mole.h.

Referenced by CO_zero(), IterRestart(), PrtComment(), and radius_increment().

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

• /home66/gary/public_html/cloudy/c10_branch/source/mole.h