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Added a lot of comments to the header file

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This commit is contained in:
Harry Moffat 2003-07-23 21:54:44 +00:00
parent ca88c11522
commit e788cc578c
1 changed files with 144 additions and 30 deletions
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174
Cantera/src/Kinetics.h
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@ -202,11 +202,23 @@ namespace Cantera {
/**
* Get the nth Phase object.
*/
//phase_t& phase(int n=0) { return *m_phase[n]; }
//const phase_t& phase(int n=0) const { return *m_phase[n]; }
* Return the number of phases defined within the kinetics
* object.
*/
int nPhases() const { return m_thermo.size(); }
/**
* Return the phase index of a phase in the list of phases
* defined within the object.
*
* Input
* ----------
* ph = string name of the phase
*
* If a -1 is returned, then the phase is not defined in
* the Kinetics object.
* (HKM -> unfound object will create another entry in the
* map, suggest rewriting this function)
*/
int phaseIndex(string ph) { return m_phaseindex[ph] - 1; }
/**
@ -223,32 +235,68 @@ namespace Cantera {
m_thermo.push_back(&thermo);
m_phaseindex[m_thermo.back()->id()] = nPhases();
}
/**
* This method returns a reference to the nth ThermoPhase
* defined in this kinetics mechanism.
* It is typically used so that member functions of the the
* ThermoPhase may be called.
*/
thermo_t& thermo(int n=0) { return *m_thermo[n]; }
const thermo_t& thermo(int n=0) const { return *m_thermo[n]; }
/**
* 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.
*/
thermo_t& phase(int n=0) { return *m_thermo[n]; }
const thermo_t& phase(int n=0) const { return *m_thermo[n]; }
/**
* This method returns the index of a species in the source
* term vector for this kinetics object.
*
* @param k species index
* @param n phase index for the species
*/
int kineticsSpeciesIndex(int k, int n) {
return m_start[n] + k;
}
/**
* This routine will look up a species number based on
* the input string nm. The lookup of species will
* occur for all phases listed in the kinetics obect,
* unless the string ph refers to a specific phase of
* the object.
*
* return
* If a match is found, the position in the species list
* is returned.
* If no match is found, the value -2 is returned.
*/
int kineticsSpeciesIndex(string nm, string ph = "<any>") {
int np = m_thermo.size();
int k;
string id;
for (int n = 0; n < np; n++) {
id = thermo(n).id();
if (ph == id) {
k = thermo(n).speciesIndex(nm);
if (k < 0) return -1;
return k + m_start[n];
}
else if (ph == "<any>") {
k = thermo(n).speciesIndex(nm);
if (k >= 0) return k + m_start[n];
}
}
return -2;
int np = m_thermo.size();
int k;
string id;
for (int n = 0; n < np; n++) {
id = thermo(n).id();
if (ph == id) {
k = thermo(n).speciesIndex(nm);
if (k < 0) return -1;
return k + m_start[n];
}
else if (ph == "<any>") {
/*
* Call the speciesIndex() member function of the
* ThermoPhase object to find a match.
*/
k = thermo(n).speciesIndex(nm);
if (k >= 0) return k + m_start[n];
}
}
return -2;
}
thermo_t& speciesPhase(string nm) {
@ -264,11 +312,17 @@ namespace Cantera {
/**
* Prepare to add reactions.
* Prepare the class for the addition of reactions. This function
* must be called after instantiation of the class, but before
* any reactions are actually added to the mechanism.
*/
virtual void init() {err("init");}
/// Finished adding reactions. Prepare for use.
/**
* Finish adding reactions and prepare for use. This function
* must be called after all reactions are entered into the mechanism
* and before the mechanism is used to calculate reaction rates.
*/
virtual void finalize() {err("finalize");}
virtual void addReaction(const ReactionData& r) {err("addReaction");}
@ -278,12 +332,17 @@ namespace Cantera {
}
virtual const vector<grouplist_t>& reactantGroups(int i)
{ err("reactantGroups"); return m_dummygroups; }
virtual const vector<grouplist_t>& reactantGroups(int i) {
err("reactantGroups");
return m_dummygroups;
}
virtual const vector<grouplist_t>& productGroups(int i)
{ err("productGroups"); return m_dummygroups; }
virtual const vector<grouplist_t>& productGroups(int i) {
err("productGroups");
return m_dummygroups;
}
//@}
/**
* @name Altering Reaction Rates
*
@ -299,19 +358,72 @@ namespace Cantera {
void setMultiplier(int i, doublereal f) {m_perturb[i] = f;}
//@}
/**
* Increment the number of reactions in the mechanism by one.
*/
void incrementRxnCount() { m_ii++; m_perturb.push_back(1.0); }
virtual bool ready() const {return false;}
/**
*
*/
virtual bool ready() const {
err("ready()");
return false;
}
protected:
/**
* m_ii is the number of reactions in the mechanism
*/
int m_ii;
/**
* m_perturb is a vector of perturbation factors for each
* reaction's rate of progress vector. It is initialized to one.
*/
vector_fp m_perturb;
/**
* This is a vector of vectors containing the reactants for each
* reaction. The outer vector is over the number of reactions, m_ii.
* The inner vector is a list of species indecises. If the stoichiometric
* coefficient for a reactant is greater than one, then the
* reactant is listed contiguously in the vector a number of
* times equal to its stoichiometric coefficient.
*/
vector<vector_int> m_reactants;
/**
* This is a vector of vectors containing the products for each
* reaction. The outer vector is over the number of reactions, m_ii.
* The inner vector is a list of species indecises. If the stoichiometric
* coefficient for a product is greater than one, then the
* reactant is listed contiguously in the vector a number of
* times equal to its stoichiometric coefficient.
*/
vector<vector_int> m_products;
/**
* m_thermo is a vector of pointers to ThermoPhase objects. For
* homogeneous kinetics applications, this vector will only
* consist of one entry. For interfacial reactions, this vector
* will consist of multiple entries; some of them will be surface
* phases, and the other ones will be bulk phases.
* The order that the objects are listed determines the order in
* which the species comprising each phase are listed in the
* source term vector, originating from the reaction mechanism.
*/
vector<thermo_t*> m_thermo;
/**
* m_start is a vector of integers specifying the beginning position
* for the species vector for the n'th phase in the kinetics
* class.
*/
vector_int m_start;
// XML_Node* m_xml;
map<string, int> m_phaseindex;
int m_index;
@ -320,7 +432,9 @@ namespace Cantera {
vector<grouplist_t> m_dummygroups;
void err(string m) const {
throw CanteraError("Kinetics::"+m,"Base class method called.");
throw CanteraError("Kinetics::" + m,
"The default Base class method was called, when "
"the inherited class's method should have been called");
}
};