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Dave Goodwin 2003-08-17 19:14:21 +00:00
parent fb9c2d0363
commit 5dfee93864
1 changed files with 44 additions and 57 deletions
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101
Cantera/src/RateCoeffMgr.h
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@ -15,36 +15,15 @@
#include "utilities.h"
#include "RxnRates.h"
#ifdef HAVE_INTEL_MKL
#include "mkl_vml.h"
#endif
//#ifdef HAVE_INTEL_MKL
//#include "mkl_vml.h"
//#endif
#include "ct_defs.h"
#include "ctexceptions.h"
namespace Cantera {
// exception class
class UnknownRateCoefficient : public CanteraError {
public:
UnknownRateCoefficient() {
m_msg += "Unknown rate coefficient type.";
}
};
/**
* Virtual base class for rate coefficient managers.
*/
// class RateCoeffMgr {
// public:
// virtual int install( int rxnNumber, int rateType,
// const vector_fp& c )=0;
// virtual void update(doublereal T, doublereal logT, vector_fp& values)=0;
// virtual void writeUpdate(ostream& s, string name) {}
// };
/**
* This rate coefficient manager supports one parameterization of
* any type.
@ -57,6 +36,13 @@ namespace Cantera {
Rate1(){}
virtual ~Rate1(){}
/**
* Install a rate coefficient calculator.
* @param rxnNumber the reaction number
* @param rateType the rate type
* @param m length of coefficient array
* @param coefficients
*/
int install( int rxnNumber, int rateType, int m,
const doublereal* c ) {
/*
@ -65,28 +51,40 @@ namespace Cantera {
* throw an error condition.
*/
if (rateType != R::type())
throw UnknownRateCoefficient();
//int m = c.size();
// if any coefficient other than the first is non-zero,
// install a rate calculator and return the index of the
// calculator.
throw CanteraError("InterfaceKinetics::install",
"incorrect rate coefficient type: "+int2str(rateType));
// if any coefficient other than the first is non-zero, or
// if alwaysComputeRate() is true, install a rate
// calculator and return the index of the calculator.
for (int i = 1; i < m; i++) {
if (c[i] != 0.0) {
if (c[i] != 0.0 || R::alwaysComputeRate() ) {
m_rxn.push_back(rxnNumber);
m_rates.push_back(R(c));
m_rates.push_back(R(m, c));
return m_rates.size() - 1;
}
}
return -1;
}
const R& rateCoeff(int loc) const {
return m_rates[loc];
}
/**
* Return a reference to the nth rate coefficient calculator.
* Note that this is not the same as the calculator for
* reaction n, since reactions with constant rate coefficients
* do not have a calculator.
*/
const R& rateCoeff(int loc) const { return m_rates[loc]; }
/**
* Update the concentration-dependent parts of the rate
* coefficient, if any. Used by class SurfaceArrhenius to
* compute coverage-dependent * modifications to the Arrhenius
* parameters. The array c should contain whatever data the
* particular rate coefficient class needs to update its
* rates. Note that this method does not return anything. To
* get the updated rates, method update must be called after
* the call to update_C.
*/
void update_C(const doublereal* c) {
TYPENAME_KEYWORD vector<R>::iterator b = m_rates.begin();
TYPENAME_KEYWORD vector<R>::iterator e = m_rates.end();
@ -96,6 +94,14 @@ namespace Cantera {
}
}
/**
* Write the rate coefficients into array values. Each
* calculator writes one entry in values, at the location
* specified by the reaction number when it was
* installed. Note that nothing will be done for reactions
* that have constant rates. The array values should be
* preloaded with the constant rate coefficients.
*/
void update(doublereal T, doublereal logT, doublereal* values) {
TYPENAME_KEYWORD vector<R>::const_iterator b = m_rates.begin();
TYPENAME_KEYWORD vector<R>::const_iterator e = m_rates.end();
@ -106,29 +112,10 @@ namespace Cantera {
}
}
void update_dT(doublereal T, doublereal logT, doublereal dT,
doublereal* values) {
TYPENAME_KEYWORD vector<R>::const_iterator b = m_rates.begin();
TYPENAME_KEYWORD vector<R>::const_iterator e = m_rates.end();
doublereal recipT = 1.0/T;
int i = 0;
for (; b != e; ++b, ++i) {
values[m_rxn[i]] *= (1.0 + dT*b->update_dT(logT, recipT));
}
}
virtual void writeUpdate(ostream& s, string name) {
int nrates = m_rates.size();
for (int i = 0; i < nrates; i++) {
s << " " << name << "[" << m_rxn[i] << "] = ";
m_rates[i].writeUpdateRHS(s);
}
}
protected:
vector<R> m_rates;
vector<int> m_rxn;
array_fp m_const;
array_fp m_const; // not used
};