diff --git a/src/transport/MMCollisionInt.cpp b/src/transport/MMCollisionInt.cpp index 8ca32d238..7a8e296b0 100644 --- a/src/transport/MMCollisionInt.cpp +++ b/src/transport/MMCollisionInt.cpp @@ -15,9 +15,6 @@ using namespace std; namespace Cantera { - - -//! \cond const int DeltaDegree = 6; double MMCollisionInt::delta[8] = {0.0, 0.25, 0.50, 0.75, 1.0, @@ -36,7 +33,6 @@ doublereal quadInterp(doublereal x0, doublereal* x, doublereal* y) return a*(x0 - x[0])*(x0 - x[1]) + (dy21/dx21)*(x0 - x[1]) + y[1]; } - double MMCollisionInt::tstar22[37] = { 0.1, 0.2, 0.3, 0.4, 0.5, 0.6, 0.7, 0.8, 0.9, 1.0, 1.2, 1.4, 1.6, 1.8, 2.0, 2.5, 3.0, 3.5, 4.0, @@ -44,7 +40,6 @@ double MMCollisionInt::tstar22[37] = { 18.0, 20.0, 25.0, 30.0, 35.0, 40.0, 50.0, 75.0, 100.0 }; - double MMCollisionInt::omega22_table[37*8] = { 4.1005, 4.266, 4.833, 5.742, 6.729, 8.624, 10.34, 11.89, 3.2626, 3.305, 3.516, 3.914, 4.433, 5.57, 6.637, 7.618, @@ -85,8 +80,6 @@ double MMCollisionInt::omega22_table[37*8] = { 0.5887, 0.5889, 0.5894, 0.59, 0.5903, 0.5901, 0.5895, 0.5885 }; -//----------------------------- - // changed upper limit to 500 from 1.0e10 dgg 5/21/04 double MMCollisionInt::tstar[39] = { 0.0, 0.1, 0.2, 0.3, 0.4, 0.5, 0.6, 0.7, 0.8, 0.9, 1.0, @@ -181,7 +174,6 @@ double MMCollisionInt::bstar_table[39*8] = { 1.10185 }; - double MMCollisionInt::cstar_table[39*8] = { 0.8889, 0.77778, 0.77778,0.77778,0.77778,0.77778,0.77778,0.77778, 0.88575, 0.8988, 0.8378, 0.8029, 0.7876, 0.7805, 0.7799, 0.7801, @@ -224,27 +216,14 @@ double MMCollisionInt::cstar_table[39*8] = { 0.94444, 0.94444,0.94444,0.94444,0.94444,0.94444,0.94444,0.94444 }; -//! \endcond - -//==================================================================================================================== MMCollisionInt::MMCollisionInt() { } -//==================================================================================================================== + MMCollisionInt::~MMCollisionInt() { } -//==================================================================================================================== -// Initialize the object for calculation -/* - * - * @param xml Pointer to the log file that will receive the debug output - * messages - * @param tsmin Minimum value of Tstar to carry out the fitting - * @param tsmax Maximum value of Tstar to carry out the fitting - * @param loglevel Set the loglevel for the object. The default - * loglevel is zero, indicating no output. - */ + void MMCollisionInt::init(XML_Writer* xml, doublereal tsmin, doublereal tsmax, int log_level) { #ifdef DEBUG_MODE @@ -375,7 +354,6 @@ void MMCollisionInt::init(XML_Writer* xml, doublereal tsmin, doublereal tsmax, i #endif } } -//==================================================================================================================== doublereal MMCollisionInt::fitDelta(int table, int ntstar, int degree, doublereal* c) { @@ -401,7 +379,6 @@ doublereal MMCollisionInt::fitDelta(int table, int ntstar, int degree, doublerea w[0] = -1.0; return polyfit(8, delta, begin, DATA_PTR(w), degree, ndeg, 0.0, c); } -//==================================================================================================================== doublereal MMCollisionInt::omega22(double ts, double deltastar) { @@ -430,7 +407,6 @@ doublereal MMCollisionInt::omega22(double ts, double deltastar) return quadInterp(log(ts), DATA_PTR(m_logTemp) + i1, DATA_PTR(values)); } -//==================================================================================================================== doublereal MMCollisionInt::astar(double ts, double deltastar) { @@ -459,8 +435,6 @@ doublereal MMCollisionInt::astar(double ts, double deltastar) return quadInterp(log(ts), DATA_PTR(m_logTemp) + i1, DATA_PTR(values)); } -//==================================================================================================================== - doublereal MMCollisionInt::bstar(double ts, double deltastar) { @@ -489,7 +463,6 @@ doublereal MMCollisionInt::bstar(double ts, double deltastar) return quadInterp(log(ts), DATA_PTR(m_logTemp) + i1, DATA_PTR(values)); } -//==================================================================================================================== doublereal MMCollisionInt::cstar(double ts, double deltastar) { @@ -519,12 +492,9 @@ doublereal MMCollisionInt::cstar(double ts, double deltastar) DATA_PTR(values)); } -//==================================================================================================================== - void MMCollisionInt::fit_omega22(ostream& logfile, int degree, doublereal deltastar, doublereal* o22) { - int i, n = m_nmax - m_nmin + 1; int ndeg=0; string indent = " "; @@ -549,7 +519,6 @@ void MMCollisionInt::fit_omega22(ostream& logfile, int degree, m_xml->XML_comment(logfile, p); } } -//==================================================================================================================== void MMCollisionInt::fit(ostream& logfile, int degree, doublereal deltastar, doublereal* a, doublereal* b, doublereal* c) @@ -620,9 +589,5 @@ void MMCollisionInt::fit(ostream& logfile, int degree, m_xml->XML_close(logfile, "tstar_fit"); } } -//==================================================================================================================== + } // namespace -//====================================================================================================================== - - - diff --git a/src/transport/MMCollisionInt.h b/src/transport/MMCollisionInt.h index c599b3b0b..795b29685 100644 --- a/src/transport/MMCollisionInt.h +++ b/src/transport/MMCollisionInt.h @@ -27,21 +27,14 @@ class XML_Writer; */ class MMCollisionInt { - public: - - //! Default Constructor MMCollisionInt(); - - //! Destructor virtual ~MMCollisionInt(); - //! Initialize the object for calculation /*! - * - * @param xml Pointer to the log file that will receive the debug output - * messages + * @param xml Pointer to the log file that will receive the debug + * output messages * @param tsmin Minimum value of Tstar to carry out the fitting * @param tsmax Maximum value of Tstar to carry out the fitting * @param loglevel Set the loglevel for the object. The default @@ -49,92 +42,29 @@ public: */ void init(XML_Writer* xml, doublereal tsmin, doublereal tsmax, int loglevel = 0); - //! omega22 - /*! - * @param ts - * @param deltastar - */ doublereal omega22(double ts, double deltastar); - - //! astar - /*! - * @param ts - * @param deltastar - */ doublereal astar(double ts, double deltastar); - - //! bstar - /*! - * @param ts - * @param deltastar - */ doublereal bstar(double ts, double deltastar); - - //! cstar - /*! - * @param ts - * @param deltastar - */ doublereal cstar(double ts, double deltastar); - - //! fit - /*! - * @param logfile - * @param degree - * @param deltastar - * @param astar - * @param bstar - * @param cstar - */ void fit(std::ostream& logfile, int degree, doublereal deltastar, doublereal* astar, doublereal* bstar, doublereal* cstar); - - //! fit_omega22 - /*! - * @param logfile - * @param degree - * @param deltastar - * @param om22 - */ void fit_omega22(std::ostream& logfile, int degree, doublereal deltastar, doublereal* om22); - - //! omega11 - /*! - * @param ts - * @param deltastar - */ doublereal omega11(double ts, double deltastar) { return omega22(ts, deltastar)/astar(ts, deltastar); } private: - - //! Fit delta - /*! - * @param table - * @param ntstar - * @param degree - * @param c C is probable the output vector - * - * @return - */ doublereal fitDelta(int table, int ntstar, int degree, doublereal* c); - //! m_o22poly std::vector m_o22poly; - //! m_apoly std::vector m_apoly; - //! m_bpoly std::vector m_bpoly; - //! m_cpoly std::vector m_cpoly; - //! delta static doublereal delta[8]; - //! tstar22 static doublereal tstar22[37]; //! Table of omega22 values from MM @@ -158,10 +88,8 @@ private: //! Log temp vector_fp m_logTemp; - //! nmin int m_nmin; - //! nmax int m_nmax; //! XML_Writer pointer @@ -172,5 +100,3 @@ private: }; } #endif - -