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Fixed value checks for falloff parameterizations

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This commit is contained in:
Ray Speth 2012-04-27 21:20:46 +00:00
parent d69eea2b3e
commit 58e3bade9a
2 changed files with 13 additions and 15 deletions
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13
src/kinetics/FalloffFactory.cpp
View file

@ -5,6 +5,7 @@
#include "cantera/kinetics/FalloffFactory.h"
#include "cantera/base/ctexceptions.h"
#include "cantera/base/stringUtils.h"
#include <cmath>
@ -350,6 +351,10 @@ public:
* a, b, and c of the SRI parameterization
*/
virtual void init(const vector_fp& c) {
if (c[2] < 0.0) {
throw CanteraError("SRI3::init()",
"m_c parameter is less than zero: " + fp2str(c[2]));
}
m_a = c[0];
m_b = c[1];
m_c = c[2];
@ -459,6 +464,14 @@ public:
* a, b, c, d, and e of the SRI parameterization
*/
virtual void init(const vector_fp& c) {
if (c[2] < 0.0) {
throw CanteraError("SRI5::init()",
"m_c parameter is less than zero: " + fp2str(c[2]));
}
if (c[3] < 0.0) {
throw CanteraError("SRI5::init()",
"m_d parameter is less than zero: " + fp2str(c[3]));
}
m_a = c[0];
m_b = c[1];
m_c = c[2];

15
src/kinetics/importKinetics.cpp
View file

@ -431,23 +431,8 @@ static void getFalloff(const XML_Node& f, ReactionData& rdata)
if (type == "Troe") {
if (np == 4) {
rdata.falloffType = TROE4_FALLOFF;
if (c[1] < 0.0) {
throw CanteraError("getFalloff()", "Troe4 T3 parameter is less than zero: " + fp2str(c[1]));
}
if (c[2] < 0.0) {
throw CanteraError("getFalloff()", "Troe4 T1 parameter is less than zero: " + fp2str(c[2]));
}
if (c[3] < 0.0) {
throw CanteraError("getFalloff()", "Troe4 T2 parameter is less than zero: " + fp2str(c[3]));
}
} else if (np == 3) {
rdata.falloffType = TROE3_FALLOFF;
if (c[1] < 0.0) {
throw CanteraError("getFalloff()", "Troe3 T3 parameter is less than zero: " + fp2str(c[1]));
}
if (c[2] < 0.0) {
throw CanteraError("getFalloff()", "Troe3 T1 parameter is less than zero: " + fp2str(c[2]));
}
} else {
throw CanteraError("getFalloff()", "Troe parameterization is specified by number of pararameters, "
+ int2str(np) + ", is not equal to 3 or 4");