berthelot_rate_unit.C File Reference

#include <limits>
#include <vector>
#include "antioch/berthelot_rate.h"

Go to the source code of this file.

Functions
template<typename Scalar >
int	check_rate_and_derivative (const Scalar &rate_exact, const Scalar &derive_exact, const Scalar &rate, const Scalar &derive, const Scalar &T)
template<typename Scalar >
int	test_values (const Scalar &Cf, const Scalar &D, const Antioch::BerthelotRate< Scalar > &berthelot_rate)
template<typename Scalar >
int	tester ()
int	main ()

Function Documentation

template<typename Scalar >

int check_rate_and_derivative	(	const Scalar &	rate_exact,
		const Scalar &	derive_exact,
		const Scalar &	rate,
		const Scalar &	derive,
		const Scalar &	T
	)

Definition at line 34 of file berthelot_rate_unit.C.

Referenced by test_values().

{
    const Scalar tol = std::numeric_limits<Scalar>::epsilon() * 2;
    int return_flag(0);
    if( abs( (rate - rate_exact)/rate_exact ) > tol )
      {
        std::cout << std::scientific << std::setprecision(16)
                  << "Error: Mismatch in rate values." << std::endl
                  << "T = " << T << " K" << std::endl
                  << "rate(T) = " << rate << std::endl
                  << "rate_exact = " << rate_exact << std::endl
                  << "relative difference = " <<  abs( (rate - rate_exact)/rate_exact ) << std::endl
                  << "tolerance = " <<  tol << std::endl;

        return_flag = 1;
      }
    if( abs( (derive - derive_exact)/derive_exact ) > tol )
      {
        std::cout << std::scientific << std::setprecision(16)
                  << "Error: Mismatch in rate derivative values." << std::endl
                  << "T = " << T << " K" << std::endl
                  << "drate_dT(T) = " << derive << std::endl
                  << "derive_exact = " << derive_exact << std::endl
                  << "relative difference = " <<  abs( (derive - derive_exact)/derive_exact ) << std::endl
                  << "tolerance = " <<  tol << std::endl;

        return_flag = 1;
      }

     return return_flag;
}

int main

(

)

Definition at line 132 of file berthelot_rate_unit.C.

{
  return (tester<double>() ||
          tester<long double>() ||
          tester<float>());
}

template<typename Scalar >

int test_values	(	const Scalar &	Cf,
		const Scalar &	D,
		const Antioch::BerthelotRate< Scalar > &	berthelot_rate
	)

Definition at line 68 of file berthelot_rate_unit.C.

References check_rate_and_derivative(), Antioch::BerthelotRate< CoeffType >::derivative(), and Antioch::BerthelotRate< CoeffType >::rate_and_derivative.

Referenced by tester().

{
  using std::abs;
  using std::exp;
  int return_flag = 0;

  for(Scalar T = 300.1; T <= 2500.1; T += 10.)
  {
    const Scalar rate_exact = Cf*exp(D*T);
    const Scalar derive_exact = D * Cf * exp(D*T);
    Antioch::KineticsConditions<Scalar> cond(T);

//KineticsConditions
    Scalar rate = berthelot_rate(cond);
    Scalar deriveRate = berthelot_rate.derivative(cond);

    return_flag = check_rate_and_derivative(rate_exact,derive_exact,rate,deriveRate,T) || return_flag;

    berthelot_rate.rate_and_derivative(cond,rate,deriveRate);

    return_flag = check_rate_and_derivative(rate_exact,derive_exact,rate,deriveRate,T) || return_flag;

// T
    rate = berthelot_rate(T);
    deriveRate = berthelot_rate.derivative(T);

    return_flag = check_rate_and_derivative(rate_exact,derive_exact,rate,deriveRate,T) || return_flag;

    berthelot_rate.rate_and_derivative(T,rate,deriveRate);

    return_flag = check_rate_and_derivative(rate_exact,derive_exact,rate,deriveRate,T) || return_flag;

  }
  return return_flag;
}

template<typename Scalar >

int tester

(

)

Definition at line 105 of file berthelot_rate_unit.C.

References Antioch::KineticsModel::D, Antioch::BerthelotRate< CoeffType >::reset_coefs(), Antioch::BerthelotRate< CoeffType >::set_Cf(), Antioch::BerthelotRate< CoeffType >::set_D(), and test_values().

{
  Scalar Cf = 1.4;
  Scalar D  = -5.0;

  Antioch::BerthelotRate<Scalar> berthelot_rate(Cf,D);

  int return_flag = test_values(Cf,D,berthelot_rate);

  Cf = 1e-7;
  D = 1e-3;
  berthelot_rate.set_Cf(Cf);
  berthelot_rate.set_D(D);
  return_flag = test_values(Cf,D,berthelot_rate) || return_flag;


  Cf = 2.1e-11;
  D = -1.2;
  std::vector<Scalar> values(2);
  values[0] = Cf;
  values[1] = D;
  berthelot_rate.reset_coefs(values);
  return_flag = test_values(Cf,D,berthelot_rate) || return_flag;

  return return_flag;
}