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[Kinetics] Move member function definitions out of Falloff.h

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This commit is contained in:
Ray Speth 2015-04-22 14:59:55 -04:00
parent bbe2e1c79b
commit 873724c135
2 changed files with 96 additions and 67 deletions
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73
include/cantera/kinetics/Falloff.h
View file

@ -2,8 +2,6 @@
#define CT_FALLOFF_H #define CT_FALLOFF_H
#include "cantera/base/ct_defs.h" #include "cantera/base/ct_defs.h"
#include "cantera/base/stringUtils.h"
#include "cantera/base/ctexceptions.h"
namespace Cantera namespace Cantera
{ {
@ -113,22 +111,7 @@ public:
* @param c Vector of three or four doubles: The doubles are the parameters, * @param c Vector of three or four doubles: The doubles are the parameters,
* a, T_3, T_1, and (optionally) T_2 of the Troe parameterization * a, T_3, T_1, and (optionally) T_2 of the Troe parameterization
*/ */
virtual void init(const vector_fp& c) { virtual void init(const vector_fp& c);
m_a = c[0];
if (c[1] == 0.0) {
m_rt3 = 1000.;
} else {
m_rt3 = 1.0/c[1];
}
if (c[2] == 0.0) {
m_rt1 = 1000.;
} else {
m_rt1 = 1.0/c[2];
}
if (c.size() == 4) {
m_t2 = c[3];
}
}
//! Update the temperature parameters in the representation //! Update the temperature parameters in the representation
/*! /*!
@ -136,23 +119,9 @@ public:
* @param work Vector of working space, length 1, representing the * @param work Vector of working space, length 1, representing the
* temperature-dependent part of the parameterization. * temperature-dependent part of the parameterization.
*/ */
virtual void updateTemp(doublereal T, doublereal* work) const { virtual void updateTemp(doublereal T, doublereal* work) const;
doublereal Fcent = (1.0 - m_a) * exp(-T*m_rt3) + m_a * exp(-T*m_rt1);
if (m_t2) {
Fcent += exp(- m_t2 / T);
}
*work = log10(std::max(Fcent, SmallNumber));
}
virtual doublereal F(doublereal pr, const doublereal* work) const { virtual doublereal F(doublereal pr, const doublereal* work) const;
doublereal lpr,f1,lgf, cc, nn;
lpr = log10(std::max(pr,SmallNumber));
cc = -0.4 - 0.67 * (*work);
nn = 0.75 - 1.27 * (*work);
f1 = (lpr + cc)/ (nn - 0.14 * (lpr + cc));
lgf = (*work) / (1.0 + f1 * f1);
return pow(10.0, lgf);
}
virtual size_t workSize() { virtual size_t workSize() {
return 1; return 1;
@ -205,27 +174,7 @@ public:
* a, b, c, d (optional; default 1.0), and e (optional; default * a, b, c, d (optional; default 1.0), and e (optional; default
* 0.0) of the SRI parameterization * 0.0) of the SRI parameterization
*/ */
virtual void init(const vector_fp& c) { virtual void init(const vector_fp& c);
if (c[2] < 0.0) {
throw CanteraError("SRI::init()",
"m_c parameter is less than zero: " + fp2str(c[2]));
}
m_a = c[0];
m_b = c[1];
m_c = c[2];
if (c.size() == 5) {
if (c[3] < 0.0) {
throw CanteraError("SRI::init()",
"m_d parameter is less than zero: " + fp2str(c[3]));
}
m_d = c[3];
m_e = c[4];
} else {
m_d = 1.0;
m_e = 0.0;
}
}
//! Update the temperature parameters in the representation //! Update the temperature parameters in the representation
/*! /*!
@ -233,19 +182,9 @@ public:
* @param work Vector of working space, length 2, representing the * @param work Vector of working space, length 2, representing the
* temperature-dependent part of the parameterization. * temperature-dependent part of the parameterization.
*/ */
virtual void updateTemp(doublereal T, doublereal* work) const { virtual void updateTemp(doublereal T, doublereal* work) const;
*work = m_a * exp(- m_b / T);
if (m_c != 0.0) {
*work += exp(- T/m_c);
}
work[1] = m_d * pow(T,m_e);
}
virtual doublereal F(doublereal pr, const doublereal* work) const { virtual doublereal F(doublereal pr, const doublereal* work) const;
doublereal lpr = log10(std::max(pr,SmallNumber));
doublereal xx = 1.0/(1.0 + lpr*lpr);
return pow(*work, xx) * work[1];
}
virtual size_t workSize() { virtual size_t workSize() {
return 2; return 2;

90
src/kinetics/Falloff.cpp Normal file
View file

@ -0,0 +1,90 @@
/**
* @file Falloff.cpp Definitions for member functions of classes derived from
* Falloff
*/
#include "cantera/base/stringUtils.h"
#include "cantera/base/ctexceptions.h"
#include "cantera/kinetics/Falloff.h"
namespace Cantera
{
void Troe::init(const vector_fp& c)
{
m_a = c[0];
if (c[1] == 0.0) {
m_rt3 = 1000.;
} else {
m_rt3 = 1.0/c[1];
}
if (c[2] == 0.0) {
m_rt1 = 1000.;
} else {
m_rt1 = 1.0/c[2];
}
if (c.size() == 4) {
m_t2 = c[3];
}
}
void Troe::updateTemp(double T, double* work) const
{
double Fcent = (1.0 - m_a) * exp(-T*m_rt3) + m_a * exp(-T*m_rt1);
if (m_t2) {
Fcent += exp(- m_t2 / T);
}
*work = log10(std::max(Fcent, SmallNumber));
}
double Troe::F(double pr, const double* work) const
{
double lpr,f1,lgf, cc, nn;
lpr = log10(std::max(pr,SmallNumber));
cc = -0.4 - 0.67 * (*work);
nn = 0.75 - 1.27 * (*work);
f1 = (lpr + cc)/ (nn - 0.14 * (lpr + cc));
lgf = (*work) / (1.0 + f1 * f1);
return pow(10.0, lgf);
}
void SRI::init(const vector_fp& c)
{
if (c[2] < 0.0) {
throw CanteraError("SRI::init()",
"m_c parameter is less than zero: " + fp2str(c[2]));
}
m_a = c[0];
m_b = c[1];
m_c = c[2];
if (c.size() == 5) {
if (c[3] < 0.0) {
throw CanteraError("SRI::init()",
"m_d parameter is less than zero: " + fp2str(c[3]));
}
m_d = c[3];
m_e = c[4];
} else {
m_d = 1.0;
m_e = 0.0;
}
}
void SRI::updateTemp(double T, double* work) const
{
*work = m_a * exp(- m_b / T);
if (m_c != 0.0) {
*work += exp(- T/m_c);
}
work[1] = m_d * pow(T,m_e);
}
double SRI::F(double pr, const double* work) const
{
double lpr = log10(std::max(pr,SmallNumber));
double xx = 1.0/(1.0 + lpr*lpr);
return pow(*work, xx) * work[1];
}
}