mole_priv.h File Reference

#include "container_classes.h"

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Classes
class	GroupMap
class	mole_reaction

Namespaces
	mole_priv

Macros
#define	MAXREACTANTS   3
#define	MAXPRODUCTS   4

Typedefs
typedef map< string, shared_ptr< mole_reaction > >::iterator	mole_reaction_i
typedef map< string, shared_ptr< mole_reaction > >::const_iterator	mole_reaction_ci
typedef map< string, shared_ptr< molecule > >::iterator	molecule_i
typedef map< string, shared_ptr< chem_element > >::iterator	chem_element_i

Enumerations
enum	udfastate { ABSENT, CORRECT, CONFLICT }

Functions
void	mole_eval_balance (long int n, double *b, bool lgJac, multi_arr< double, 2 > &c)
double	mole_solve (void)
void	mole_eval_sources (long int num_total)
realnum	mole_return_cached_species (const GroupMap &MoleMap)
double	frac_H2star_hminus ()
void	mole_update_rks (void)

Variables
map< string, shared_ptr < molecule > >	mole_priv::spectab
map< string, shared_ptr < mole_reaction > >	mole_priv::reactab
map< string, shared_ptr < chem_element > >	mole_priv::elemtab
map< string, shared_ptr < mole_reaction > >	mole_priv::functab
vector< molecule * >	groupspecies

Macro Definition Documentation

#define MAXPRODUCTS   4

Referenced by compare_udfa(), parse_reaction(), and parse_udfa().

#define MAXREACTANTS   3

Referenced by compare_udfa(), mole_eval_balance(), mole_eval_sources(), parse_reaction(), and parse_udfa().

Typedef Documentation

typedef map<string,shared_ptr<chem_element> >::iterator chem_element_i

typedef map<string,shared_ptr<mole_reaction> >::const_iterator mole_reaction_ci

typedef map<string,shared_ptr<mole_reaction> >::iterator mole_reaction_i

typedef map<string,shared_ptr<molecule> >::iterator molecule_i

Enumeration Type Documentation

enum udfastate

Enumerator
ABSENT
CORRECT
CONFLICT

Function Documentation

double frac_H2star_hminus

(

)

References h2, t_hmi::H2_forms_hminus, t_hmi::H2star_forms_hminus, hmi, diatomics::lgEnabled, diatomics::lgEvaluated, t_hmi::lgH2_Chemistry_BigH2, and SDIV().

Referenced by mole_h_rate_diagnostics().

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void mole_eval_balance	(	long int	n,
		double *	b,
		bool	lgJac,
		multi_arr< double, 2 > &	c
	)

mole_eval_balance

References ASSERT, DEBUG_ENTRY, fprintf(), mole_reaction::index, molecule::index, ioQQQ, mole_reaction::label, lgNucleiConserved(), t_trace::lgTrace, t_trace::lgTraceMole, t_mole_global::list, MAXREACTANTS, mole, mole_global, mole_reaction::nproducts, mole_reaction::nreactants, NULL, t_mole_global::num_calc, mole_reaction::products, mole_reaction::pvector, mole_priv::reactab, mole_reaction::reactants, t_mole_local::reaction_rks, mole_reaction::rvector, t_mole_local::species, trace, and multi_arr< T, d, ALLOC, lgBC >::zero().

Referenced by mole_eval_dynamic_balance().

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void mole_eval_sources

(

long int

num_total

)

References ASSERT, atmdat, molecule::charge, DEBUG_ENTRY, dense, mole_reaction::index, molecule::index, t_atmdat::lgCTOn, t_dense::lgElmtOn, LIMELM, MAXREACTANTS, mole, molecule::nNuclide, mole_reaction::nproducts, mole_reaction::nreactants, nuclide_list, NULL, mole_reaction::products, mole_reaction::pvector, mole_priv::reactab, mole_reaction::reactants, t_mole_local::reaction_rks, mole_reaction::rvector, t_mole_local::sink, t_mole_local::source, t_mole_local::species, and t_mole_local::xMoleChTrRate.

Referenced by mole_effects(), and mole_update_sources().

realnum mole_return_cached_species

(

const GroupMap &

MoleMap

)

References ASSERT, dense, deut, t_mole_local::elec, frac(), t_dense::gas_phase, lgElemsConserved(), t_mole_global::list, mole, MOLE_ACTIVE, mole_global, NULL, t_mole_global::num_calc, t_mole_global::num_total, SDIV(), t_mole_local::species, t_deuterium::updateXMolecules(), and t_dense::updateXMolecules().

Referenced by mole_solve().

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double mole_solve

(

void

)

mole_solve fills in matrix for heavy elements molecular routines

References ASSERT, BIGFLOAT, check_co_ion_converge(), conv, DEBUG_ENTRY, dense, t_dense::eden, fixit, fnzone, fprintf(), funjac(), get_ptr(), groupspecies, t_hmi::H2_frac_abund_set, hmi, ionbal, t_conv::IonizErrorAllowed, ioQQQ, ipHYDROGEN, lgElemsConserved(), t_trace::lgTrace, mole, mole_global, mole_h_fixup(), mole_return_cached_species(), newton_step(), nuclide_list, t_mole_global::num_calc, t_mole_global::num_compacted, nzone, phycon, t_ionbal::RateIonizTot(), t_ionbal::RateRecomTot, t_conv::register_(), t_conv::setConvIonizFail(), t_mole_local::sink, t_mole_local::source, t_mole_local::species, t_phycon::te, trace, and t_dense::xIonDense.

Referenced by mole_drive().

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void mole_update_rks

(

void

)

mole_update_rks update rate coefficients, only temp part

References mole_reaction::a, DEBUG_ENTRY, fprintf(), mole_reaction::index, ioQQQ, mole_reaction::label, mole, mole_h2_grain_form(), mole_h_reactions(), mole_priv::reactab, t_mole_local::reaction_rks, and mole_reaction::rk().

Referenced by mole_drive().

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Variable Documentation

vector<molecule *> groupspecies

Referenced by funjac(), grouped_elems(), mole_make_groups(), mole_solve(), mole_system_error(), newton_step(), GroupMap::setup(), and GroupMap::updateMolecules().