#include "cddefines.h"#include "physconst.h"#include "mole.h"#include "mole_co_priv.h"#include "hmi.h"#include "rfield.h"#include "dense.h"#include "ionbal.h"#include "grainvar.h"#include "timesc.h"#include <string.h>#include <ctype.h>Include dependency graph for mole_co_etc.cpp:
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Enumerations | |
| enum | spectype { MOLECULE, OTHER } |
| enum | molstate { ACTIVE, PASSIVE } |
Functions | |
| STATIC void | newelement (const char label[], int ipion, int priority) |
| STATIC struct molecule * | newspecies (const char label[7], enum spectype type, enum molstate state, realnum *location, double frac0) |
| STATIC struct chem_element_s * | findelement (const char buf[]) |
| STATIC int | isactive (data_u *dat) |
| STATIC int | ispassive (data_u *dat) |
| STATIC int | isCOnet (data_u *dat) |
| void | CO_Init (void) |
| molecule * | findspecies (const char buf[]) |
| COmole_rate_s * | CO_findrate_s (const char buf[]) |
| double | CO_findrk (const char buf[]) |
| double | CO_findrate (const char buf[]) |
| void | CO_update_species_cache (void) |
| double | CO_sink_rate (const char chSpecies[7]) |
| void | CO_update_rks (void) |
| double | CO_dissoc_rate (const char chSpecies[7]) |
| double | CO_source_rate (const char chSpecies[7]) |
| void | CO_punch_mol (FILE *punit, const char chSpecies[], char header[], double depth) |
| void | CO_zero (void) |
Variables | |
| chem_element_s ** | chem_element |
| chem_element_s * | element_list [LIMELM] |
| int32 * | ipiv |
| realnum * | tot_ion |
| mole_priv_s | mole_priv |
| molecule | null_mole |
| enum molstate |
| enum spectype |
| double CO_dissoc_rate | ( | const char | chSpecies[7] | ) |
Definition at line 670 of file mole_co_etc.cpp.
References coreactions, DEBUG_ENTRY, findspecies(), t_coreactions::list, t_coreactions::n, COmole_rate_s::photon, and COmole_rate_s::products.
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| double CO_findrate | ( | const char | buf[] | ) |
Definition at line 552 of file mole_co_etc.cpp.
References CO_findrate_s(), DEBUG_ENTRY, molecule::hevmol, COmole_rate_s::nrates, COmole_rate_s::rate_species, and COmole_rate_s::rk.
Referenced by CoolOxyg(), and lines_lv1_li_ne().
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| struct COmole_rate_s* CO_findrate_s | ( | const char | buf[] | ) |
Definition at line 523 of file mole_co_etc.cpp.
References DEBUG_ENTRY, lookup(), mole_priv, data_u::p, and mole_priv_s::reactab.
Referenced by CO_drive(), CO_findrate(), and CO_findrk().
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| double CO_findrk | ( | const char | buf[] | ) |
Definition at line 536 of file mole_co_etc.cpp.
References ASSERT, CO_findrate_s(), DEBUG_ENTRY, isnan, and COmole_rate_s::rk.
Referenced by IonIron(), and IonMagne().
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| void CO_Init | ( | void | ) |
called from cdInit to initialized co routines
Definition at line 44 of file mole_co_etc.cpp.
References molecule::active, ACTIVE, ASSERT, co, t_co::co_nzone, COmole, DEBUG_ENTRY, dense, t_dense::eden_f, ELECTRON_MASS, element_list, mole_priv_s::elemtab, gv, molecule::hevcol, molecule::hevmol, hmi, t_hmi::Hmolec, molecule::index, ipCARBON, ipCHLORINE, ipHELIUM, ipHYDROGEN, ipIRON, ipMAGNESIUM, ipMH2g, ipMH2p, ipMH2s, ipMH3p, ipMHm, ipNITROGEN, ipOXYGEN, ipSILICON, ipSULPHUR, isactive(), ispassive(), t_co::iteration_co, t_gv::lgDustOn, t_mole::lgElem_in_chemistry, t_mole::lgGrain_mole_deplete, LIMELM, makeplist(), MALLOC, mole, molecule::mole_mass, mole_priv, MOLECULE, molecule::n_nuclei, molecule::nElec, molecule::nelem_hevmol, newelement(), newhash(), newspecies(), null_mole, t_mole::num_comole_calc, t_mole::num_comole_tot, t_mole::num_elements, OTHER, PASSIVE, mole_priv_s::reactab, mole_priv_s::spectab, and t_dense::xIonDense.
Referenced by InitSimPostparse().
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| void CO_punch_mol | ( | FILE * | punit, | |
| const char | chSpecies[], | |||
| char | header[], | |||
| double | depth | |||
| ) |
Definition at line 748 of file mole_co_etc.cpp.
References coreactions, DEBUG_ENTRY, findspecies(), t_coreactions::list, t_coreactions::n, and COmole_rate_s::rate_species.
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| double CO_sink_rate | ( | const char | chSpecies[7] | ) |
Definition at line 595 of file mole_co_etc.cpp.
References coreactions, DEBUG_ENTRY, findspecies(), t_coreactions::list, t_coreactions::n, and COmole_rate_s::rate_species.
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| double CO_source_rate | ( | const char | chSpecies[7] | ) |
Definition at line 710 of file mole_co_etc.cpp.
References coreactions, DEBUG_ENTRY, findspecies(), t_coreactions::list, t_coreactions::n, and COmole_rate_s::products.
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| void CO_update_rks | ( | void | ) |
CO_update_rks update rate coefficients, only temp part
Definition at line 652 of file mole_co_etc.cpp.
References COmole_rate_s::a, coreactions, DEBUG_ENTRY, COmole_rate_s::fun, t_coreactions::list, t_coreactions::n, and COmole_rate_s::rk.
| void CO_update_species_cache | ( | void | ) |
Definition at line 572 of file mole_co_etc.cpp.
References ASSERT, COmole, DEBUG_ENTRY, dense, t_dense::eden, t_dense::eden_f, molecule::hevmol, isnan, molecule::location, mole, and t_mole::num_comole_tot.
| void CO_zero | ( | void | ) |
CO_zero allocate + initialize workspace
Definition at line 817 of file mole_co_etc.cpp.
References t_timesc::AgeCOMoleDest, cdEXIT, COmole, DEBUG_ENTRY, molecule::hevcol, molecule::hevmol, ioQQQ, lgFirstCall, MALLOC, mole, t_mole::num_comole_calc, t_mole::num_comole_tot, timesc, and molecule::xMoleFracMax.
Referenced by InitSimPostparse().
| STATIC struct chem_element_s * findelement | ( | const char | buf[] | ) |
Definition at line 509 of file mole_co_etc.cpp.
References DEBUG_ENTRY, mole_priv_s::elemtab, lookup(), mole_priv, and data_u::p.
Referenced by newspecies().
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| struct molecule* findspecies | ( | const char | buf[] | ) |
Definition at line 495 of file mole_co_etc.cpp.
References DEBUG_ENTRY, lookup(), mole_priv, null_mole, data_u::p, and mole_priv_s::spectab.
Referenced by AgeCheck(), atmol_popsolve(), cdColm(), CO_dissoc_rate(), CO_punch_mol(), CO_sink_rate(), CO_source_rate(), DynaPunchTimeDep(), and newreact().
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| STATIC int isactive | ( | data_u * | dat | ) |
Definition at line 477 of file mole_co_etc.cpp.
References molecule::active, DEBUG_ENTRY, and data_u::p.
Referenced by CO_Init().
| STATIC int isCOnet | ( | data_u * | dat | ) |
| STATIC int ispassive | ( | data_u * | dat | ) |
| STATIC void newelement | ( | const char | label[], | |
| int | ipion, | |||
| int | priority | |||
| ) |
Definition at line 299 of file mole_co_etc.cpp.
References addentry(), ASSERT, chem_element_s::chName, DEBUG_ENTRY, element_list, mole_priv_s::elemtab, chem_element_s::ipCl, chem_element_s::ipMl, chem_element_s::ipMlP, chem_element_s::ipZ, MALLOC, mole_priv, and data_u::p.
Referenced by CO_Init().
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| STATIC struct molecule * newspecies | ( | const char | label[7], | |
| enum spectype | type, | |||
| enum molstate | state, | |||
| realnum * | location, | |||
| double | frac0 | |||
| ) |
Definition at line 320 of file mole_co_etc.cpp.
References molecule::active, ACTIVE, addentry(), ASSERT, ATOMIC_MASS_UNIT, t_dense::AtomicWeight, cdEXIT, molecule::co_save, DEBUG_ENTRY, dense, molecule::Excit, findelement(), chem_element_s::ipCl, ipHYDROGEN, chem_element_s::ipZ, molecule::label, t_mole::lgElem_in_chemistry, molecule::lgGas_Phase, LIMELM, molecule::location, MALLOC, mole, molecule::mole_mass, mole_priv, MOLECULE, molecule::n_nuclei, molecule::nElec, molecule::nElem, molecule::nelem_hevmol, t_mole::num_comole_calc, t_mole::num_comole_tot, t_mole::num_elements, data_u::p, molecule::pdr_mole_co, and mole_priv_s::spectab.
Referenced by CO_Init().
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| struct chem_element_s** chem_element |
| struct chem_element_s* element_list[LIMELM] |
| int32* ipiv |
Definition at line 36 of file mole_co_etc.cpp.
Referenced by atom_levelN(), atom_pop5(), AtomSeqBeryllium(), FeIILevelPops(), hmole_step(), ion_solver(), iso_level(), oi_level_pops(), and SanityCheckBegin().
| struct mole_priv_s mole_priv |
Definition at line 39 of file mole_co_etc.cpp.
Referenced by CO_create_react(), CO_findrate_s(), CO_Init(), findelement(), findspecies(), newelement(), newreact(), and newspecies().
this includes the atomic and first ionized species of each element that can combine to form molecules. This is the number of molecules, ions, and atoms that the co network uses This is used in comole to improve the calculation, as deep in molecular regions reactions with molecules can be important to the ionization balance
Definition at line 40 of file mole_co_etc.cpp.
Referenced by atmol_popsolve(), CO_Init(), findspecies(), and newreact().
Definition at line 37 of file mole_co_etc.cpp.
1.4.7