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mole_priv.h
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1/* This file is part of Cloudy and is copyright (C)1978-2013 by Gary J. Ferland and
2 * others. For conditions of distribution and use see copyright notice in license.txt */
3
4#ifndef MOLE_PRIV_H_
5#define MOLE_PRIV_H_
6
7/* mole_co_priv.h */
8#include "count_ptr.h"
9
10class mole_reaction;
11class chem_atom;
12
13namespace mole_priv {
14 extern map <string,count_ptr<molecule> > spectab;
15 extern map <string,count_ptr<mole_reaction> > reactab;
16 extern map <string,count_ptr<chem_element> > elemtab;
17 extern map <string,count_ptr<chem_atom> > atomtab;
18 extern map <string,count_ptr<mole_reaction> > functab;
19};
20
21class GroupMap {
22public:
24 valarray<double> molElems;
25 void updateMolecules(const valarray<double> &b2);
26 void setup(double *b0vec);
27 GroupMap (size_t size)
28 {
29 molElems.resize( size );
30 fion.reserve(size);
31 for( unsigned long i = 0; i < size; ++i )
32 fion.reserve(i,size+1);
33 fion.alloc();
34 }
35};
36
37typedef map<string,count_ptr<mole_reaction> >::iterator mole_reaction_i;
38typedef map<string,count_ptr<mole_reaction> >::const_iterator mole_reaction_ci;
39typedef map<string,count_ptr<molecule> >::iterator molecule_i;
40typedef map<string,count_ptr<chem_element> >::iterator chem_element_i;
41typedef map<string,count_ptr<chem_atom> >::iterator chem_atom_i;
42
43extern molecule **groupspecies;
44
45#define MAXREACTANTS 3
46#define MAXPRODUCTS 4
47
48/* Structure containing reaction data */
68
70
71extern void mole_dominant_rates( const molecule *debug_species, FILE *ioOut );
72
75extern void mole_eval_balance(long int n, double *b, bool lgJac, multi_arr<double,2> &c);
78extern double mole_solve( void );
79
80extern void mole_eval_sources(long int num_total);
81
82extern realnum mole_return_cached_species(const GroupMap &MoleMap);
83
84extern double frac_H2star_hminus();
85
87extern void mole_update_rks( void );
88
89#endif /* MOLE_PRIV_H_ */
90
static double b2[63]
float realnum
Definition cddefines.h:103
GroupMap(size_t size)
Definition mole_priv.h:27
valarray< double > molElems
Definition mole_priv.h:24
multi_arr< double, 2 > fion
Definition mole_priv.h:23
void updateMolecules(const valarray< double > &b2)
void setup(double *b0vec)
molecule * pvector_excit[MAXPRODUCTS]
Definition mole_priv.h:58
virtual double rk() const =0
molecule * pvector[MAXPRODUCTS]
Definition mole_priv.h:57
molecule * rvector_excit[MAXREACTANTS]
Definition mole_priv.h:55
virtual mole_reaction * Create() const =0
molecule * reactants[MAXREACTANTS]
Definition mole_priv.h:53
virtual ~mole_reaction()
Definition mole_priv.h:66
molecule * rvector[MAXREACTANTS]
Definition mole_priv.h:54
string label
Definition mole_priv.h:51
molecule * products[MAXPRODUCTS]
Definition mole_priv.h:56
virtual const char * name()=0
double reduced_mass
Definition mole_priv.h:59
udfastate
Definition mole_priv.h:69
@ CONFLICT
Definition mole_priv.h:69
@ ABSENT
Definition mole_priv.h:69
@ CORRECT
Definition mole_priv.h:69
#define MAXREACTANTS
Definition mole_priv.h:45
void mole_eval_balance(long int n, double *b, bool lgJac, multi_arr< double, 2 > &c)
#define MAXPRODUCTS
Definition mole_priv.h:46
map< string, count_ptr< chem_element > >::iterator chem_element_i
Definition mole_priv.h:40
void mole_eval_sources(long int num_total)
map< string, count_ptr< chem_atom > >::iterator chem_atom_i
Definition mole_priv.h:41
double mole_solve(void)
molecule ** groupspecies
map< string, count_ptr< mole_reaction > >::iterator mole_reaction_i
Definition mole_priv.h:37
double frac_H2star_hminus()
void mole_dominant_rates(const molecule *debug_species, FILE *ioOut)
realnum mole_return_cached_species(const GroupMap &MoleMap)
void mole_update_rks(void)
map< string, count_ptr< molecule > >::iterator molecule_i
Definition mole_priv.h:39
map< string, count_ptr< mole_reaction > >::const_iterator mole_reaction_ci
Definition mole_priv.h:38
map< string, count_ptr< chem_atom > > atomtab
map< string, count_ptr< mole_reaction > > functab
map< string, count_ptr< mole_reaction > > reactab
map< string, count_ptr< molecule > > spectab
map< string, count_ptr< chem_element > > elemtab