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This commit is contained in:
Harry Moffat 2003-08-11 16:13:35 +00:00
parent 9a5476053c
commit 9efeafe6d4
1 changed files with 47 additions and 12 deletions
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59
Cantera/src/Kinetics.h
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@ -64,7 +64,10 @@ namespace Cantera {
int index(){ return m_index; }
void setIndex(int index) { m_index = index; }
/// Identifies subclass.
/**
* Identifies the subclass of the Kinetics manager type.
* These are listed in mix_defs.h.
*/
virtual int type() { return 0; }
/**
@ -312,7 +315,17 @@ namespace Cantera {
* isReversible(i) is false, then the reverse rate of progress
* for reaction i is always zero.
*/
virtual bool isReversible(int i){return false;}
virtual bool isReversible(int i){
err("isReversible");
return false;
}
/**
* Return a string representing the reaction.
*/
virtual string reactionString(int i) const {
err("reactionString"); return "<null>";
}
/**
* Return the forward rate constants
@ -360,12 +373,26 @@ namespace Cantera {
int phaseIndex(string ph) { return m_phaseindex[ph] - 1; }
/**
* Add a phase to the kinetics object
* Add a phase to the kinetics manager object. This must
* be done before the function init() is called or
* before any reactions are input.
* The following fields are updated:
* m_start -> vector of integers, containing the
* starting position of the species for
* each phase in the kinetics mechanism.
* m_surfphase -> index of the surface phase.
* m_thermo -> vector of pointers to ThermoPhase phases
* that participate in the kinetics
* mechanism.
* m_phaseindex -> map containing the string id of each
* ThermoPhase phase as a key and the
* index of the phase within the kinetics
* manager object as the value.
*/
void addPhase(thermo_t& thermo) {
if (m_thermo.size() > 0) {
m_start.push_back(m_start.back()
+ m_thermo.back()->nSpecies());
+ m_thermo.back()->nSpecies());
}
else {
m_start.push_back(0);
@ -385,7 +412,7 @@ namespace Cantera {
const thermo_t& thermo(int n=0) const { return *m_thermo[n]; }
/**
* This method returns a reference to the nth thermophase
* This method returns a reference to the nth ThermoPhase
* defined in this kinetics mechanism.
* It is typically used so that member functions of the
* ThermoPhase may be called.
@ -404,6 +431,14 @@ namespace Cantera {
return m_start[n] + k;
}
/**
* Return the string name of the kth species in the kinetics
* manager. k can be equal to 0 to the number of species
* in the kinetics manager, which is the sum of the
* number of species in all phases participating in the
* kinetics manager.
* If k is out of bounds, the string "<unknown>" is returned.
*/
string kineticsSpeciesName(int k) const {
int np = m_start.size();
for (int n = np-1; n >= 0; n--) {
@ -497,12 +532,13 @@ namespace Cantera {
*/
virtual void finalize() {}
virtual void addReaction(const ReactionData& r) {err("addReaction");}
virtual string reactionString(int i) const {
err("reactionString"); return "<null>";
}
/**
* Add a single reaction to the mechanism. This routine
* must be called after init() and before finalize().
*/
virtual void addReaction(const ReactionData& r) {
err("addReaction");
}
virtual const vector<grouplist_t>& reactantGroups(int i) {
err("reactantGroups");
@ -573,7 +609,6 @@ namespace Cantera {
* reactant is listed contiguously in the vector a number of
* times equal to its stoichiometric coefficient.
*/
vector<vector_int> m_products;
/**