471041a27a
This will prevent floating point exceptions (sometimes enabled by third-party codes) in case c[1] or c[2] are zero but will not change the current behaviour if c[1] and c[2] are not zero.
130 lines
3 KiB
C++
130 lines
3 KiB
C++
/**
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* @file Falloff.cpp Definitions for member functions of classes derived from
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* Falloff
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*/
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// This file is part of Cantera. See License.txt in the top-level directory or
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// at http://www.cantera.org/license.txt for license and copyright information.
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#include "cantera/base/stringUtils.h"
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#include "cantera/base/ctexceptions.h"
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#include "cantera/kinetics/Falloff.h"
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namespace Cantera
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{
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void Falloff::init(const vector_fp& c)
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{
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if (c.size() != 0) {
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throw CanteraError("Falloff::init",
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"Incorrect number of parameters. 0 required. Received {}.",
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c.size());
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}
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}
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void Troe::init(const vector_fp& c)
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{
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if (c.size() != 3 && c.size() != 4) {
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throw CanteraError("Troe::init",
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"Incorrect number of parameters. 3 or 4 required. Received {}.",
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c.size());
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}
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m_a = c[0];
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if (std::abs(c[1]) < SmallNumber) {
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m_rt3 = std::numeric_limits<double>::infinity();
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} else {
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m_rt3 = 1.0 / c[1];
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}
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if (std::abs(c[2]) < SmallNumber) {
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m_rt1 = std::numeric_limits<double>::infinity();
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} else {
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m_rt1 = 1.0 / c[2];
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}
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if (c.size() == 4) {
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m_t2 = c[3];
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}
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}
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void Troe::updateTemp(double T, double* work) const
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{
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double Fcent = (1.0 - m_a) * exp(-T*m_rt3) + m_a * exp(-T*m_rt1);
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if (m_t2) {
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Fcent += exp(- m_t2 / T);
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}
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*work = log10(std::max(Fcent, SmallNumber));
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}
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double Troe::F(double pr, const double* work) const
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{
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double lpr = log10(std::max(pr,SmallNumber));
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double cc = -0.4 - 0.67 * (*work);
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double nn = 0.75 - 1.27 * (*work);
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double f1 = (lpr + cc)/ (nn - 0.14 * (lpr + cc));
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double lgf = (*work) / (1.0 + f1 * f1);
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return pow(10.0, lgf);
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}
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void Troe::getParameters(double* params) const {
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params[0] = m_a;
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params[1] = 1.0/m_rt3;
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params[2] = 1.0/m_rt1;
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params[3] = m_t2;
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}
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void SRI::init(const vector_fp& c)
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{
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if (c.size() != 3 && c.size() != 5) {
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throw CanteraError("SRI::init",
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"Incorrect number of parameters. 3 or 5 required. Received {}.",
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c.size());
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}
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if (c[2] < 0.0) {
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throw CanteraError("SRI::init()",
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"m_c parameter is less than zero: {}", c[2]);
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}
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m_a = c[0];
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m_b = c[1];
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m_c = c[2];
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if (c.size() == 5) {
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if (c[3] < 0.0) {
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throw CanteraError("SRI::init()",
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"m_d parameter is less than zero: {}", c[3]);
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}
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m_d = c[3];
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m_e = c[4];
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} else {
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m_d = 1.0;
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m_e = 0.0;
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}
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}
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void SRI::updateTemp(double T, double* work) const
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{
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*work = m_a * exp(- m_b / T);
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if (m_c != 0.0) {
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*work += exp(- T/m_c);
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}
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work[1] = m_d * pow(T,m_e);
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}
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double SRI::F(double pr, const double* work) const
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{
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double lpr = log10(std::max(pr,SmallNumber));
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double xx = 1.0/(1.0 + lpr*lpr);
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return pow(*work, xx) * work[1];
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}
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void SRI::getParameters(double* params) const
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{
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params[0] = m_a;
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params[1] = m_b;
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params[2] = m_c;
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params[3] = m_d;
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params[4] = m_e;
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}
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}
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