kinetics_theory_thermal_conductivity_vec_unit.C File Reference

#include "antioch_config.h"
#include <valarray>
#include "Eigen/Dense"
#include "metaphysicl/numberarray.h"
#include "vexcl/vexcl.hpp"
#include "antioch/eigen_utils_decl.h"
#include "antioch/metaphysicl_utils_decl.h"
#include "antioch/valarray_utils_decl.h"
#include "antioch/vexcl_utils_decl.h"
#include "antioch/stat_mech_thermo.h"
#include "antioch/chemical_mixture.h"
#include "antioch/kinetics_theory_thermal_conductivity.h"
#include "antioch/eigen_utils.h"
#include "antioch/metaphysicl_utils.h"
#include "antioch/valarray_utils.h"
#include "antioch/vexcl_utils.h"
#include <cmath>
#include <limits>

Go to the source code of this file.

Functions
template<typename Scalar , typename Element >
int	test_k (const Element &k, const Scalar &k_exact, const Scalar &tol)
template<typename PairScalars >
int	vectester (const PairScalars &example, const std::string &testname)
int	main ()

Function Documentation

int main

(

)

Definition at line 160 of file kinetics_theory_thermal_conductivity_vec_unit.C.

References vectester().

{
  int returnval = 0;

  returnval = returnval ||
    vectester (std::valarray<float>(2*ANTIOCH_N_TUPLES), "valarray<float>");
  returnval = returnval ||
    vectester (std::valarray<double>(2*ANTIOCH_N_TUPLES), "valarray<double>");
  returnval = returnval ||
    vectester (std::valarray<long double>(2*ANTIOCH_N_TUPLES), "valarray<ld>");
#ifdef ANTIOCH_HAVE_EIGEN
  returnval = returnval ||
    vectester (Eigen::Array<float, 2*ANTIOCH_N_TUPLES, 1>(), "Eigen::ArrayXf");
  returnval = returnval ||
    vectester (Eigen::Array<double, 2*ANTIOCH_N_TUPLES, 1>(), "Eigen::ArrayXd");
  returnval = returnval ||
    vectester (Eigen::Array<long double, 2*ANTIOCH_N_TUPLES, 1>(), "Eigen::ArrayXld");
#endif
#ifdef ANTIOCH_HAVE_METAPHYSICL
  returnval = returnval ||
    vectester (MetaPhysicL::NumberArray<2*ANTIOCH_N_TUPLES, float> (0), "NumberArray<float>");
  returnval = returnval ||
    vectester (MetaPhysicL::NumberArray<2*ANTIOCH_N_TUPLES, double> (0), "NumberArray<double>");
  returnval = returnval ||
    vectester (MetaPhysicL::NumberArray<2*ANTIOCH_N_TUPLES, long double> (0), "NumberArray<ld>");
#endif
#ifdef ANTIOCH_HAVE_VEXCL
  vex::Context ctx_f (vex::Filter::All);
  if (!ctx_f.empty())
    returnval = returnval ||
      vectester (vex::vector<float> (ctx_f, 2*ANTIOCH_N_TUPLES), "vex::vector<float>");

  vex::Context ctx_d (vex::Filter::DoublePrecision);
  if (!ctx_d.empty())
    returnval = returnval ||
      vectester (vex::vector<double> (ctx_d, 2*ANTIOCH_N_TUPLES), "vex::vector<double>");
#endif

#ifdef ANTIOCH_HAVE_GRVY
  gt.Finalize();
  gt.Summarize();
#endif

  return returnval;
}

template<typename Scalar , typename Element >

int test_k	(	const Element &	k,
		const Scalar &	k_exact,
		const Scalar &	tol
	)

Definition at line 71 of file kinetics_theory_thermal_conductivity_vec_unit.C.

Referenced by vectester().

{
  using std::abs;

  int return_flag = 0;

  const Scalar rel_error = abs( (k - k_exact)/k_exact);

  if( rel_error  > tol )
    {
      std::cerr << std::setprecision(20) << std::scientific
                << "Error: Mismatch in thermal conductivity" << std::endl
                << "k       = " << k << std::endl
                << "k_exact = " << k_exact << std::endl
                << "rel_error = " << rel_error << std::endl
                << "tol = " << tol << std::endl;
      return_flag = 1;
    }

  return return_flag;
}

template<typename PairScalars >

int vectester	(	const PairScalars &	example,
		const std::string &	testname
	)

Definition at line 94 of file kinetics_theory_thermal_conductivity_vec_unit.C.

References test_k().

Referenced by main().

{

  typedef typename Antioch::value_type<PairScalars>::type Scalar;

  std::vector<std::string> species_str_list;
  const unsigned int n_species = 1;
  species_str_list.reserve(n_species);
  species_str_list.push_back( "N2" );

  const Scalar LJ_depth_N2 = 97.53L;
  const Scalar Z_298 = 4.0L;

  Antioch::ChemicalMixture<Scalar> chem_mixture( species_str_list );

  Antioch::StatMechThermodynamics<Scalar> thermo( chem_mixture );

  Antioch::KineticsTheoryThermalConductivity<Antioch::StatMechThermodynamics<Scalar>, Scalar > k( thermo, Z_298, LJ_depth_N2);

  // Construct from example to avoid resizing issues
  PairScalars mu  = example;
  PairScalars dss = example;
  PairScalars rho = example;
  PairScalars T = example;
  for (unsigned int tuple=0; tuple != ANTIOCH_N_TUPLES; ++tuple)
    {
      T[2*tuple]     = 1500.1;
      T[2*tuple+1]   = 1600.1;
      mu[2*tuple]    = 3.14e-3;
      mu[2*tuple+1]  = 3.14e-3;
      dss[2*tuple]   = 5.23e-5;
      dss[2*tuple+1] = 5.23e-5;
      rho[2*tuple]   = 1.4;
      rho[2*tuple+1] = 1.4;
    }
  
  const Scalar k_exact0 = 3.19434291925996020233442116364270671873509961381739235964650684;
  const Scalar k_exact1 = 3.2021908709042895344166123247634817043607657971633006497668;

  int return_flag = 0;

#ifdef ANTIOCH_HAVE_GRVY
  gt.BeginTimer(testname);
#endif

  const PairScalars k_ps = k(0,mu,T,rho,dss);

#ifdef ANTIOCH_HAVE_GRVY
  gt.EndTimer(testname);
#endif

  const Scalar tol = (std::numeric_limits<Scalar>::epsilon()*10 < 7e-17)?
                        7e-17:
                        std::numeric_limits<Scalar>::epsilon()*10;

  for (unsigned int tuple=0; tuple != ANTIOCH_N_TUPLES; ++tuple)
    {

      return_flag = test_k( k_ps[2*tuple], k_exact0, tol ) || return_flag;
      return_flag = test_k( k_ps[2*tuple+1], k_exact1, tol ) || return_flag;
    }

  return return_flag;
}