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[Kinetics] Allow negative Troe parameters

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This commit is contained in:
Ray Speth 2013-08-01 18:57:33 +00:00
parent cc75faf402
commit 10aa8ba060
1 changed files with 12 additions and 36 deletions
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48
src/kinetics/FalloffFactory.cpp
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@ -35,12 +35,8 @@ mutex_t FalloffFactory::falloff_mutex;
*
* \f[ N = 0.75 - 1.27 \log_{10} F_{cent} \f]
*
* There are a few requirements for the parameters:
*
* - T_3 is required to greater than or equal to zero. If it is zero, then
* the term is set to zero.
* - T_1 is required to greater than or equal to zero. If it is zero, then
* the term is set to zero.
* - If \f$ T_3 \f$ is zero, then the corresponding term is set to zero.
* - If \f$ T_1 \f$ is zero, then the corresponding term is set to zero.
*
* @ingroup falloffGroup
*/
@ -58,21 +54,13 @@ public:
virtual void init(const vector_fp& c) {
m_a = c[0];
if (c[1] <= 0.0) {
if (c[1] == 0.0) {
m_rt3 = 1000.;
} else {
throw CanteraError("Troe3::init()", "T3 parameter is less than zero");
}
if (c[1] == 0.0) {
m_rt3 = 1000.;
} else {
m_rt3 = 1.0/c[1];
}
if (c[2] <= 0.0) {
if (c[2] == 0.0) {
m_rt1 = 1000.;
} else {
throw CanteraError("Troe3::init()", "T1 parameter is less than zero");
}
if (c[2] == 0.0) {
m_rt1 = 1000.;
} else {
m_rt1 = 1.0/c[2];
}
@ -143,12 +131,8 @@ protected:
*
* \f[ N = 0.75 - 1.27 \log_{10} F_{cent} \f]
*
* There are a few requirements for the parameters
*
* - T_3 is required to greater than or equal to zero. If it is zero,
* then the term is set to zero.
* - T_1 is required to greater than or equal to zero. If it is zero,
* then the term is set to zero.
* - If \f$ T_3 \f$ is zero, then the corresponding term is set to zero.
* - If \f$ T_1 \f$ is zero, then the corresponding term is set to zero.
*
* @ingroup falloffGroup
*/
@ -166,21 +150,13 @@ public:
*/
virtual void init(const vector_fp& c) {
m_a = c[0];
if (c[1] <= 0.0) {
if (c[1] == 0.0) {
m_rt3 = 1000.;
} else {
throw CanteraError("Troe4::init()", "T3 parameter is less than zero");
}
if (c[1] == 0.0) {
m_rt3 = 1000.;
} else {
m_rt3 = 1.0/c[1];
}
if (c[2] <= 0.0) {
if (c[2] == 0.0) {
m_rt1 = 1000.;
} else {
throw CanteraError("Troe4::init()", "T1 parameter is less than zero");
}
if (c[2] == 0.0) {
m_rt1 = 1000.;
} else {
m_rt1 = 1.0/c[2];
}