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[Kinetics] Deprecate unused methods of rate coefficient implementations

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This commit is contained in:
Ray Speth 2014-10-08 16:54:31 +00:00
parent c31aadc57f
commit 609a7e07ac
1 changed files with 37 additions and 23 deletions
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60
include/cantera/kinetics/RxnRates.h
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@ -85,6 +85,7 @@ public:
* If it does then it will produce a negative overflow result, and
* a zero net forwards reaction rate, instead of a negative reaction
* rate constant that is the expected result.
* @deprecated. To be removed after Cantera 2.2
*/
doublereal update(doublereal logT, doublereal recipT) const {
return m_logA + m_b*logT - m_E*recipT;
@ -101,7 +102,7 @@ public:
return m_A * std::exp(m_b*logT - m_E*recipT);
}
//! @deprecated. To be removed after Cantera 2.2
void writeUpdateRHS(std::ostream& s) const {
s << " exp(" << m_logA;
if (m_b != 0.0) {
@ -113,10 +114,12 @@ public:
s << ");" << std::endl;
}
//! @deprecated. To be removed after Cantera 2.2
doublereal activationEnergy_R() const {
return m_E;
}
//! @deprecated. To be removed after Cantera 2.2
static bool alwaysComputeRate() {
return false;
}
@ -222,6 +225,7 @@ public:
*
* This calculation is not safe for negative values of
* the preexponential.
* @deprecated. To be removed after Cantera 2.2
*/
doublereal update(doublereal logT, doublereal recipT) const {
return m_logA + m_acov + m_b*logT
@ -240,10 +244,12 @@ public:
(m_E + m_ecov)*recipT + m_mcov);
}
//! @deprecated. To be removed after Cantera 2.2
doublereal activationEnergy_R() const {
return m_E + m_ecov;
}
//! @deprecated. To be removed after Cantera 2.2
static bool alwaysComputeRate() {
return true;
}
@ -326,6 +332,7 @@ public:
* If it does then it will produce a negative overflow result, and
* a zero net forwards reaction rate, instead of a negative reaction
* rate constant that is the expected result.
* @deprecated. To be removed after Cantera 2.2
*/
doublereal update(doublereal logT, doublereal recipT) const {
return m_logA + m_b*logT - m_E*recipT;
@ -342,6 +349,7 @@ public:
return m_A * std::exp(m_b*logT - m_E*recipT);
}
//! @deprecated. To be removed after Cantera 2.2
void writeUpdateRHS(std::ostream& s) const {
s << " exp(" << m_logA;
if (m_b != 0.0) {
@ -353,10 +361,12 @@ public:
s << ");" << std::endl;
}
//! @deprecated. To be removed after Cantera 2.2
doublereal activationEnergy_R() const {
return m_E;
}
//! @deprecated. To be removed after Cantera 2.2
static bool alwaysComputeRate() {
return false;
}
@ -478,8 +488,18 @@ public:
/**
* Update the value of the logarithm of the rate constant.
* @deprecated. To be removed after Cantera 2.2
*/
doublereal update(doublereal logT, doublereal recipT) const {
return std::log(updateRC(logT, recipT));
}
/**
* Update the value the rate constant.
*
* This function returns the actual value of the rate constant.
*/
doublereal updateRC(doublereal logT, doublereal recipT) const {
double log_k1, log_k2;
if (m1_ == 1) {
log_k1 = A1_[0] + n1_[0] * logT - Ea1_[0] * recipT;
@ -501,22 +521,15 @@ public:
log_k2 = std::log(k);
}
return log_k1 + (log_k2 - log_k1) * (logP_ - logP1_) * rDeltaP_;
}
/**
* Update the value the rate constant.
*
* This function returns the actual value of the rate constant.
*/
doublereal updateRC(doublereal logT, doublereal recipT) const {
return std::exp(update(logT, recipT));
return std::exp(log_k1 + (log_k2-log_k1) * (logP_-logP1_) * rDeltaP_);
}
//! @deprecated. To be removed after Cantera 2.2
doublereal activationEnergy_R() const {
throw CanteraError("Plog::activationEnergy_R", "Not implemented");
}
//! @deprecated. To be removed after Cantera 2.2
static bool alwaysComputeRate() {
return false;
}
@ -623,8 +636,18 @@ public:
/**
* Update the value of the base-10 logarithm of the rate constant.
* @deprecated. To be removed after Cantera 2.2
*/
doublereal update(doublereal logT, doublereal recipT) const {
return std::log10(updateRC(logT, recipT));
}
/**
* Update the value the rate constant.
*
* This function returns the actual value of the rate constant.
*/
doublereal updateRC(doublereal logT, doublereal recipT) const {
double Tr = (2 * recipT + TrNum_) * TrDen_;
double Cnm1 = 1;
double Cn = Tr;
@ -636,22 +659,15 @@ public:
Cnm1 = Cn;
Cn = Cnp1;
}
return logk;
}
/**
* Update the value the rate constant.
*
* This function returns the actual value of the rate constant.
*/
doublereal updateRC(doublereal logT, doublereal recipT) const {
return std::pow(10, update(logT, recipT));
return std::pow(10, logk);
}
//! @deprecated. To be removed after Cantera 2.2
doublereal activationEnergy_R() const {
return 0.0;
}
//! @deprecated. To be removed after Cantera 2.2
static bool alwaysComputeRate() {
return false;
}
@ -669,5 +685,3 @@ protected:
}
#endif