#include <mole.h>
Public Member Functions | |
| void | set_location (long nelem, long ion, double *dense) |
| void | set_isotope_abundances (void) |
| double | sink_rate_tot (const char chSpecies[]) const |
| double | sink_rate_tot (const molecule *const sp) const |
| double | sink_rate (const molecule *const sp, const mole_reaction &rate) const |
| double | sink_rate (const molecule *const sp, const char buf[]) const |
| double | source_rate_tot (const char chSpecies[]) const |
| double | source_rate_tot (const molecule *const sp) const |
| double | dissoc_rate (const char chSpecies[]) const |
| double | chem_heat (void) const |
| double | findrk (const char buf[]) const |
| double | findrate (const char buf[]) const |
Data Fields | |
| double | grain_area |
| double | grain_density |
| double | grain_saturation |
| double | elec |
| double ** | source |
| double ** | sink |
| realnum *** | xMoleChTrRate |
| valarray< class molezone > | species |
| vector< double > | reaction_rks |
| vector< double > | old_reaction_rks |
| long | old_zone |
Definition at line 326 of file mole.h.
| double t_mole_local::chem_heat | ( | void | ) | const |
Definition at line 4123 of file mole_reactions.cpp.
References AVOGADRO, DEBUG_ENTRY, findspecies(), molecule::form_enthalpy, molecule::index, mole_reaction::index, ioQQQ, mole_reaction::label, mole_reaction::nproducts, mole_reaction::nreactants, nzone, mole_reaction::products, mole_priv::reactab, mole_reaction::reactants, reaction_rks, and mole_reaction::rvector.
Referenced by CoolEvaluate().
| double t_mole_local::dissoc_rate | ( | const char | chSpecies[] | ) | const |
returns the photodissociation rate per unit volume [cm^-3 s^-1] producing monatomic species chSpecies. *Excludes* photoionizations of other monatomic species, e.g. N-,PHOTON=>N,e-
returns the photodissociation rate per unit volume [cm^-3 s^-1] of species chSpecies
Definition at line 4007 of file mole_reactions.cpp.
References ASSERT, DEBUG_ENTRY, findspecies(), molecule::index, mole_reaction::index, molecule::isMonatomic(), molecule::nAtom, mole_reaction::nproducts, mole_reaction::nreactants, null_mole, mole_reaction::products, mole_priv::reactab, mole_reaction::reactants, and reaction_rks.
Referenced by lines_lv1_li_ne().
| double t_mole_local::findrate | ( | const char | buf[] | ) | const |
Definition at line 3908 of file mole_reactions.cpp.
References DEBUG_ENTRY, molecule::index, mole_reaction::index, mole_findrate_s(), mole_reaction::nreactants, mole_reaction::reactants, and reaction_rks.
Referenced by CoolOxyg(), lines_lv1_li_ne(), lines_molecules(), mole_effects(), and mole_h_rate_diagnostics().
| double t_mole_local::findrk | ( | const char | buf[] | ) | const |
Definition at line 3894 of file mole_reactions.cpp.
References ASSERT, DEBUG_ENTRY, mole_reaction::index, isnan, mole_findrate_s(), and reaction_rks.
Referenced by diatomics::mole_H2_form(), SaveDo(), and SetDeuteriumIonization().
| void t_mole_local::set_isotope_abundances | ( | void | ) |
Definition at line 959 of file mole_species.cpp.
References DEBUG_ENTRY, and unresolved_atom_list.
Referenced by mole_update_species_cache(), and GroupMap::updateMolecules().
| void t_mole_local::set_location | ( | long | nelem, | |
| long | ion, | |||
| double * | dense | |||
| ) |
Definition at line 988 of file mole_species.cpp.
References ASSERT, DEBUG_ENTRY, LIMELM, mole_global, t_mole_global::num_total, and unresolved_atom_list.
Referenced by InitSimPostparse().
| double t_mole_local::sink_rate | ( | const molecule *const | sp, | |
| const char | buf[] | |||
| ) | const |
Definition at line 3954 of file mole_reactions.cpp.
References mole_findrate_s(), and sink_rate().
| double t_mole_local::sink_rate | ( | const molecule *const | sp, | |
| const mole_reaction & | rate | |||
| ) | const |
Definition at line 3960 of file mole_reactions.cpp.
References mole_reaction::a, DEBUG_ENTRY, molecule::index, mole_reaction::nreactants, mole_reaction::reactants, mole_reaction::rk(), mole_reaction::rvector, and mole_reaction::rvector_excit.
Referenced by sink_rate(), and sink_rate_tot().
| double t_mole_local::sink_rate_tot | ( | const molecule *const | sp | ) | const |
Definition at line 3939 of file mole_reactions.cpp.
References DEBUG_ENTRY, mole_priv::reactab, and sink_rate().
| double t_mole_local::sink_rate_tot | ( | const char | chSpecies[] | ) | const |
Definition at line 3930 of file mole_reactions.cpp.
References DEBUG_ENTRY, and findspecies().
Referenced by diatomics::H2_X_sink_and_source(), and mole_effects().
| double t_mole_local::source_rate_tot | ( | const molecule *const | sp | ) | const |
Definition at line 4093 of file mole_reactions.cpp.
References mole_reaction::a, DEBUG_ENTRY, molecule::index, mole_reaction::nproducts, mole_reaction::nreactants, mole_reaction::products, mole_reaction::pvector, mole_reaction::pvector_excit, mole_priv::reactab, mole_reaction::reactants, and mole_reaction::rk().
| double t_mole_local::source_rate_tot | ( | const char | chSpecies[] | ) | const |
Definition at line 4084 of file mole_reactions.cpp.
References DEBUG_ENTRY, and findspecies().
Referenced by diatomics::H2_X_sink_and_source(), and mole_h_rate_diagnostics().
| double t_mole_local::elec |
total charge in molecules
Definition at line 347 of file mole.h.
Referenced by ConvBase(), eden_sum(), and mole_return_cached_species().
| double t_mole_local::grain_area |
Definition at line 344 of file mole.h.
Referenced by InitSimPostparse(), and mole_update_species_cache().
| double t_mole_local::grain_density |
Definition at line 344 of file mole.h.
Referenced by mole_update_species_cache().
Definition at line 344 of file mole.h.
Referenced by mole_update_species_cache().
| vector<double> t_mole_local::old_reaction_rks |
Definition at line 358 of file mole.h.
Referenced by mole_rk_bigchange().
Definition at line 359 of file mole.h.
Referenced by mole_create_react(), and mole_rk_bigchange().
| vector<double> t_mole_local::reaction_rks |
Definition at line 357 of file mole.h.
Referenced by chem_heat(), dissoc_rate(), findrate(), findrk(), mole_create_react(), mole_dominant_rates(), mole_eval_balance(), mole_eval_sources(), mole_print_species_reactions(), mole_punch(), mole_rk_bigchange(), and mole_update_rks().
| double ** t_mole_local::sink |
Definition at line 351 of file mole.h.
Referenced by fill_array(), find_solution(), HomogeneousSource(), iso_level(), IterRestart(), IterStart(), lgOH_ChargeTransferDominant(), mole_eval_sources(), mole_h_rate_diagnostics(), mole_solve(), PrintRates(), and zero().
| double** t_mole_local::source |
these are source and sink terms for the ionization ladder, for chemical processes that remove and add species
Definition at line 351 of file mole.h.
Referenced by fill_array(), find_solution(), iso_level(), IterRestart(), IterStart(), mole_eval_sources(), mole_h_rate_diagnostics(), mole_solve(), PrintRates(), and zero().
| valarray<class molezone> t_mole_local::species |
Definition at line 355 of file mole.h.
Referenced by AbundChange(), ChemImportance(), ConvBase(), ConvIterCheck(), CoolEvaluate(), DynaStartZone(), eden_sum(), findspecieslocal(), funjac(), diatomics::H2_LevelPops(), HeatSum(), t_mole_global::init(), iter_end_check(), IterRestart(), IterStart(), lgNetEdenSrcSmall(), lgNucleiConserved(), molcol(), mole_dominant_rates(), mole_effects(), mole_eval_balance(), mole_eval_dynamic_balance(), mole_eval_sources(), mole_h_fixup(), mole_h_rate_diagnostics(), mole_print_species_reactions(), mole_punch(), mole_return_cached_species(), mole_solve(), mole_update_limiting_reactants(), mole_update_species_cache(), OpacityAddTotal(), PrtColumns(), PrtComment(), PrtZone(), radius_increment(), radius_next(), RT_diffuse(), RT_tau_reset(), SaveDo(), SaveSpecies(), SaveSpeciesOne(), ScaleAllDensities(), GroupMap::setup(), states_nelemfill(), total_molecule_deut(), total_molecule_elems(), total_molecules(), total_molecules_gasphase(), total_network_elems(), GroupMap::updateMolecules(), and t_mole_global::zero().
Definition at line 353 of file mole.h.
Referenced by fill_array(), iso_level(), IterRestart(), IterStart(), mole_eval_sources(), PrintRates(), and zero().
1.6.1
