antioch-0.4.0
Functions
chem_mixture_vec_unit.C File Reference
#include "antioch_config.h"
#include <valarray>
#include "Eigen/Dense"
#include "metaphysicl/numberarray.h"
#include "vexcl/vexcl.hpp"
#include <cmath>
#include <iomanip>
#include <limits>
#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/vector_utils_decl.h"
#include "antioch/chemical_mixture.h"
#include "antioch/chemical_species.h"
#include "antioch/physical_constants.h"
#include "antioch/eigen_utils.h"
#include "antioch/metaphysicl_utils.h"
#include "antioch/valarray_utils.h"
#include "antioch/vexcl_utils.h"
#include "antioch/vector_utils.h"

Go to the source code of this file.

Functions

template<typename Scalar >
int test_species (const unsigned int species, const std::vector< Antioch::ChemicalSpecies< Scalar > * > &chemical_species, const std::string &species_name, Scalar molar_mass, Scalar gas_constant, Scalar formation_enthalpy, Scalar n_tr_dofs, int charge)
 
template<typename PairScalars >
int vectester (const PairScalars &example, const std::string &testname)
 
int main ()
 

Function Documentation

int main ( )

Definition at line 529 of file chem_mixture_vec_unit.C.

References vectester().

530 {
531  int returnval = 0;
532 
533  returnval = returnval ||
534  vectester (std::valarray<float>(2*ANTIOCH_N_TUPLES), "valarray<float>");
535  returnval = returnval ||
536  vectester (std::valarray<double>(2*ANTIOCH_N_TUPLES), "valarray<double>");
537  returnval = returnval ||
538  vectester (std::valarray<long double>(2*ANTIOCH_N_TUPLES), "valarray<ld>");
539 #ifdef ANTIOCH_HAVE_EIGEN
540  returnval = returnval ||
541  vectester (Eigen::Array<float, 2*ANTIOCH_N_TUPLES, 1>(), "Eigen::ArrayXf");
542  returnval = returnval ||
543  vectester (Eigen::Array<double, 2*ANTIOCH_N_TUPLES, 1>(), "Eigen::ArrayXd");
544  returnval = returnval ||
545  vectester (Eigen::Array<long double, 2*ANTIOCH_N_TUPLES, 1>(), "Eigen::ArrayXld");
546 #endif
547 #ifdef ANTIOCH_HAVE_METAPHYSICL
548  returnval = returnval ||
549  vectester (MetaPhysicL::NumberArray<2*ANTIOCH_N_TUPLES, float> (0), "NumberArray<float>");
550  returnval = returnval ||
551  vectester (MetaPhysicL::NumberArray<2*ANTIOCH_N_TUPLES, double> (0), "NumberArray<double>");
552  returnval = returnval ||
553  vectester (MetaPhysicL::NumberArray<2*ANTIOCH_N_TUPLES, long double> (0), "NumberArray<ld>");
554 #endif
555 #ifdef ANTIOCH_HAVE_VEXCL
556  vex::Context ctx_f (vex::Filter::All);
557  if (!ctx_f.empty())
558  returnval = returnval ||
559  vectester (vex::vector<float> (ctx_f, 2*ANTIOCH_N_TUPLES), "vex::vector<float>");
560 
561  vex::Context ctx_d (vex::Filter::DoublePrecision);
562  if (!ctx_d.empty())
563  returnval = returnval ||
564  vectester (vex::vector<double> (ctx_d, 2*ANTIOCH_N_TUPLES), "vex::vector<double>");
565 #endif
566 
567 #ifdef ANTIOCH_HAVE_GRVY
568  gt.Finalize();
569  gt.Summarize();
570 #endif
571 
572  return returnval;
573 }
vectester
int vectester(const PairScalars &example, const std::string &testname)
Definition: chem_mixture_vec_unit.C:144
template<typename Scalar >
int test_species ( const unsigned int  species,
const std::vector< Antioch::ChemicalSpecies< Scalar > * > &  chemical_species,
const std::string &  species_name,
Scalar  molar_mass,
Scalar  gas_constant,
Scalar  formation_enthalpy,
Scalar  n_tr_dofs,
int  charge 
)

Definition at line 84 of file chem_mixture_vec_unit.C.

References Antioch::ChemicalSpecies< CoeffType >::charge(), Antioch::ChemicalSpecies< CoeffType >::formation_enthalpy(), Antioch::ChemicalSpecies< CoeffType >::gas_constant(), Antioch::ChemicalSpecies< CoeffType >::molar_mass(), Antioch::ChemicalSpecies< CoeffType >::n_tr_dofs(), and Antioch::ChemicalSpecies< CoeffType >::species().

Referenced by vectester().

89 {
90 
91  int return_flag = 0;
92 
93  const Antioch::ChemicalSpecies<Scalar>& chem_species = *(chemical_species[species]);
94  const Scalar tol = (std::numeric_limits<Scalar>::epsilon() * 10 < 5e-17)?5e-17:
95  std::numeric_limits<Scalar>::epsilon() * 10;
96 
97  if( chem_species.species() != species_name )
98  {
99  std::cerr << "Error: Name mismatch for "<< species_name << std::endl
100  << "name = " << chem_species.species() << std::endl;
101  return_flag = 1;
102  }
103 
104  if( std::abs(chem_species.molar_mass() - molar_mass)/molar_mass > tol )
105  {
106  std::cerr << "Error: Molar mass mismatch for "<< species_name << std::endl
107  << "molar mass = " << chem_species.molar_mass() << std::endl;
108  return_flag = 1;
109  }
110 
111  if( std::abs(chem_species.gas_constant() - gas_constant)/gas_constant > tol )
112  {
113  std::cerr << "Error: Gas constant mismatch for "<< species_name << std::endl
114  << "gas constant = " << chem_species.gas_constant() << std::endl;
115  return_flag = 1;
116  }
117 
118  if( std::abs(chem_species.formation_enthalpy() - formation_enthalpy)/formation_enthalpy )
119  {
120  std::cerr << "Error: Formation enthalpy mismatch for "<< species_name << std::endl
121  << "formation enthalpy = " << chem_species.formation_enthalpy() << std::endl;
122  return_flag = 1;
123  }
124 
125  if( chem_species.n_tr_dofs() != n_tr_dofs )
126  {
127  std::cerr << "Error: Number translational DoFs mismatch for "<< species_name << std::endl
128  << "n_tr_dofs = " << chem_species.n_tr_dofs() << std::endl;
129  return_flag = 1;
130  }
131 
132  if( chem_species.charge() != charge )
133  {
134  std::cerr << "Error: Charge mismatch for "<< species_name << std::endl
135  << "charge = " << chem_species.charge() << std::endl;
136  return_flag = 1;
137  }
138 
139  return return_flag;
140 }
Antioch::ChemicalSpecies::formation_enthalpy
CoeffType formation_enthalpy() const
Returns formation enthalpy in units of [J/kg].
Definition: chemical_species.h:201
Antioch::ChemicalSpecies::species
const std::string & species() const
Returns a descriptive name for this species.
Definition: chemical_species.h:186
Antioch::ChemicalSpecies
Class to encapsulate data for each chemical species.
Definition: chemical_species.h:54
Antioch::ChemicalSpecies::charge
int charge() const
Returns electrical charge number.
Definition: chemical_species.h:211
Antioch::ChemicalSpecies::n_tr_dofs
CoeffType n_tr_dofs() const
Returns number of translational degrees of freedom.
Definition: chemical_species.h:206
Antioch::ChemicalSpecies::gas_constant
CoeffType gas_constant() const
Returns the species ideal gas constant in [J/kg-K].
Definition: chemical_species.h:196
Antioch::ChemicalSpecies::molar_mass
CoeffType molar_mass() const
Returns the molar mass in (kg/mol)
Definition: chemical_species.h:191
template<typename PairScalars >
int vectester ( const PairScalars &  example,
const std::string &  testname 
)

Definition at line 144 of file chem_mixture_vec_unit.C.

References Antioch::ChemicalMixture< CoeffType >::chemical_species(), Antioch::init_constant(), Antioch::ChemicalMixture< CoeffType >::M(), Antioch::max(), Antioch::ChemicalMixture< CoeffType >::R(), Antioch::ChemicalMixture< CoeffType >::species_inverse_name_map(), Antioch::ChemicalMixture< CoeffType >::species_list(), Antioch::ChemicalMixture< CoeffType >::species_name_map(), and test_species().

Referenced by main().

145 {
146  using std::abs;
147 
148  typedef typename Antioch::value_type<PairScalars>::type Scalar;
149 
150  const Scalar Mm_N = 14.008e-3L;
151  const Scalar Mm_O = 16.000e-3L;
152  const Scalar Mm_N2 = 2.L * Mm_N;
153  const Scalar Mm_O2 = 2.L * Mm_O;
154  const Scalar Mm_NO = Mm_N + Mm_O;
155 
156  std::vector<std::string> species_str_list;
157  const unsigned int n_species = 5;
158  species_str_list.reserve(n_species);
159  species_str_list.push_back( "N2" );
160  species_str_list.push_back( "O2" );
161  species_str_list.push_back( "N" );
162  species_str_list.push_back( "O" );
163  species_str_list.push_back( "NO" );
164 
165  Antioch::ChemicalMixture<Scalar> chem_mixture( species_str_list );
166 
167  const std::map<std::string,Antioch::Species>& species_name_map = chem_mixture.species_name_map();
168  const std::map<Antioch::Species,std::string>& species_inverse_name_map = chem_mixture.species_inverse_name_map();
169  const std::vector<Antioch::ChemicalSpecies<Scalar>*>& chemical_species = chem_mixture.chemical_species();
170  const std::vector<Antioch::Species> species_list = chem_mixture.species_list();
171 
172  int return_flag = 0;
173 
174  const Scalar tol = (std::numeric_limits<Scalar>::epsilon() * 10 < 5e-17)?5e-17:
175  std::numeric_limits<Scalar>::epsilon() * 10;
176 
177  // Check name map consistency
178  for( unsigned int i = 0; i < n_species; i++ )
179  {
180  if( species_name_map.find( species_str_list[i] )->second != species_list[i] )
181  {
182  std::cerr << "Error: species name map and species list ordering mismatch" << std::endl
183  << "species_name_map = " << species_name_map.find( species_str_list[i] )->second
184  << ", species_list = " << species_list[i] << std::endl;
185  return_flag = 1;
186  }
187  }
188 
189  // Check inverse name map consistency
190  for( unsigned int i = 0; i < n_species; i++ )
191  {
192  if( species_inverse_name_map.find( species_list[i] )->second != species_str_list[i] )
193  {
194  std::cerr << "Error: species inverse name map and species list ordering mismatch" << std::endl
195  << "species_inverse_name_map = " << species_inverse_name_map.find( species_list[i] )->second
196  << ", species_str_list = " << species_str_list[i] << std::endl;
197  return_flag = 1;
198  }
199  }
200 
201  // Check N2 properties
202  {
203  unsigned int index = 0;
204  Scalar molar_mass = Mm_N2;
205  if( std::abs(molar_mass - chem_mixture.M(index))/molar_mass > tol )
206  {
207  std::cerr << "Error: Molar mass inconsistency in mixture" << std::endl
208  << "molar mass = " << chem_mixture.M(index) << std::endl;
209  return_flag = 1;
210  }
211  return_flag = test_species( index, chemical_species, "N2", molar_mass,
212  Scalar(Antioch::Constants::R_universal<Scalar>()/molar_mass),
213  Scalar(0.0), Scalar(2.5), Scalar(0));
214  }
215 
216  // Check O2 properties
217  {
218  unsigned int index = 1;
219  Scalar molar_mass = Mm_O2;
220  if( std::abs(molar_mass - chem_mixture.M(index))/molar_mass > tol )
221  {
222  std::cerr << "Error: Molar mass inconsistency in mixture" << std::endl
223  << "molar mass = " << chem_mixture.M(index) << std::endl;
224  return_flag = 1;
225  }
226  return_flag = test_species( index, chemical_species, "O2", molar_mass,
227  Scalar(Antioch::Constants::R_universal<Scalar>()/molar_mass),
228  Scalar(0.0), Scalar(2.5), Scalar(0));
229  }
230 
231  // Check N properties
232  {
233  unsigned int index = 2;
234  Scalar molar_mass = Mm_N;
235  if( std::abs(molar_mass - chem_mixture.M(index))/molar_mass > tol )
236  {
237  std::cerr << "Error: Molar mass inconsistency in mixture" << std::endl
238  << "molar mass = " << chem_mixture.M(index) << std::endl;
239  return_flag = 1;
240  }
241  return_flag = test_species( index, chemical_species, "N", molar_mass,
242  Scalar(Antioch::Constants::R_universal<Scalar>()/molar_mass),
243  Scalar(3.3621610000e7), Scalar(1.5), Scalar(0));
244  }
245 
246  // Check O properties
247  {
248  unsigned int index = 3;
249  Scalar molar_mass = Mm_O;
250  if( std::abs(molar_mass - chem_mixture.M(index))/molar_mass > tol )
251  {
252  std::cerr << "Error: Molar mass inconsistency in mixture" << std::endl
253  << "molar mass = " << chem_mixture.M(index) << std::endl;
254  return_flag = 1;
255  }
256  return_flag = test_species( index, chemical_species, "O", molar_mass,
257  Scalar(Antioch::Constants::R_universal<Scalar>()/molar_mass),
258  Scalar(1.5420000000e7), Scalar(1.5), Scalar(0));
259  }
260 
261  // Check NO properties
262  {
263  unsigned int index = 4;
264  Scalar molar_mass = Mm_NO;
265  if( std::abs(molar_mass - chem_mixture.M(index))/molar_mass > tol )
266  {
267  std::cerr << "Error: Molar mass inconsistency in mixture" << std::endl
268  << "molar mass = " << chem_mixture.M(index) << std::endl;
269  return_flag = 1;
270  }
271  return_flag = test_species( index, chemical_species, "NO", molar_mass,
272  Scalar(Antioch::Constants::R_universal<Scalar>()/molar_mass),
273  Scalar(2.9961230000e6), Scalar(2.5), Scalar(0));
274  }
275 
276  std::vector<PairScalars> mass_fractions( n_species, example );
277  PairScalars R_exact = example;
278  PairScalars M_exact = example;
279  std::vector<PairScalars> X_exact(n_species, example);
280 
281  for (unsigned int tuple=0; tuple != ANTIOCH_N_TUPLES; ++tuple)
282  {
283  mass_fractions[0][2*tuple ] = 0.25L;
284  mass_fractions[1][2*tuple ] = 0.25L;
285  mass_fractions[2][2*tuple ] = 0.25L;
286  mass_fractions[3][2*tuple ] = 0.25L;
287  mass_fractions[4][2*tuple ] = 0L;
288  mass_fractions[0][2*tuple+1] = 0.2L;
289  mass_fractions[1][2*tuple+1] = 0.2L;
290  mass_fractions[2][2*tuple+1] = 0.2L;
291  mass_fractions[3][2*tuple+1] = 0.2L;
292  mass_fractions[4][2*tuple+1] = 0.2L;
293 
294  R_exact[2*tuple ] = Antioch::Constants::R_universal<Scalar>()*( 0.25L/Mm_N2 + 0.25L/Mm_O2 + 0.25L/Mm_N + 0.25L/Mm_O);
295  R_exact[2*tuple+1] = Antioch::Constants::R_universal<Scalar>()*( 0.2L/Mm_N2 + 0.2L/Mm_O2 + 0.2L/Mm_N + 0.2L/Mm_O + 0.2L/Mm_NO );
296 
297  M_exact[2*tuple ] = 1.0L/( 0.25L*( 1.0L/Mm_N2 + 1.0L/Mm_O2 + 1.0L/Mm_N + 1.0L/Mm_O) );
298  M_exact[2*tuple+1] = 1.0L/( 0.2L*( 1.0L/Mm_N2 + 1.0L/Mm_O2 + 1.0L/Mm_N + 1.0L/Mm_O + 1.0L/Mm_NO) );
299 
300  X_exact[0][2*tuple ] = 0.25L*M_exact[0]/Mm_N2;
301  X_exact[1][2*tuple ] = 0.25L*M_exact[0]/Mm_O2;
302  X_exact[2][2*tuple ] = 0.25L*M_exact[0]/Mm_N;
303  X_exact[3][2*tuple ] = 0.25L*M_exact[0]/Mm_O;
304  X_exact[4][2*tuple ] = 0L;
305  X_exact[0][2*tuple+1] = 0.2L*M_exact[1]/Mm_N2;
306  X_exact[1][2*tuple+1] = 0.2L*M_exact[1]/Mm_O2;
307  X_exact[2][2*tuple+1] = 0.2L*M_exact[1]/Mm_N;
308  X_exact[3][2*tuple+1] = 0.2L*M_exact[1]/Mm_O;
309  X_exact[4][2*tuple+1] = 0.2L*M_exact[1]/Mm_NO;
310  }
311 
312 #ifdef ANTIOCH_HAVE_GRVY
313  const std::string testnormal = testname + "-normal";
314  gt.BeginTimer(testnormal);
315 #endif
316 
317  std::vector<PairScalars> X(n_species, example);
318 
319  const PairScalars R = chem_mixture.R(mass_fractions);
320  const PairScalars M = chem_mixture.M(mass_fractions);
321  chem_mixture.X( M, mass_fractions, X );
322 
323 #ifdef ANTIOCH_HAVE_GRVY
324  gt.EndTimer(testnormal);
325 #endif
326 
327  const PairScalars rel_R_error =
328  abs( (R - R_exact)/R_exact);
329  if( Antioch::max(rel_R_error) > tol )
330  {
331  std::cerr << "Error: Mismatch in mixture gas constant." << std::endl
332  << std::setprecision(16) << std::scientific
333  << "R = " << R << std::endl
334  << "R_exact = " << R_exact << std::endl;
335  return_flag = 1;
336  }
337 
338  const PairScalars rel_M_error =
339  abs( (M - M_exact)/M_exact);
340  if( Antioch::max(rel_M_error) > tol )
341  {
342  std::cerr << "Error: Mismatch in mixture molar mass." << std::endl
343  << std::setprecision(16) << std::scientific
344  << "M = " << M << std::endl
345  << "M_exact = " << M_exact << std::endl;
346  return_flag = 1;
347  }
348 
349  for( unsigned int s = 0; s < n_species; s++ )
350  {
351  const PairScalars rel_X_error =
352  abs( (X[s] - X_exact[s])/X_exact[s]);
353  if( Antioch::max(rel_X_error) > tol )
354  {
355  std::cerr << "Error: Mismatch in mole fraction for species " << s << std::endl
356  << std::setprecision(16) << std::scientific
357  << "X = " << X[s] << std::endl
358  << "X_exact = " << X_exact[s] << std::endl;
359  return_flag = 1;
360  }
361  }
362 
363 
364 #ifdef ANTIOCH_HAVE_EIGEN
365  {
366  typedef Eigen::Array<PairScalars,n_species,1> SpeciesVecEigenType;
367 
368  SpeciesVecEigenType eigen_mass_fractions;
369  Antioch::init_constant(eigen_mass_fractions, mass_fractions[0]);
370 
371  SpeciesVecEigenType eigen_X_exact;
372  Antioch::init_constant(eigen_X_exact, example);
373  for (unsigned int tuple=0; tuple != ANTIOCH_N_TUPLES; ++tuple)
374  {
375  eigen_mass_fractions[4][2*tuple] = 0L;
376 
377  eigen_X_exact[0][2*tuple ] = 0.25L*M_exact[0]/28.016L;
378  eigen_X_exact[1][2*tuple ] = 0.25L*M_exact[0]/32.0L;
379  eigen_X_exact[2][2*tuple ] = 0.25L*M_exact[0]/14.008L;
380  eigen_X_exact[3][2*tuple ] = 0.25L*M_exact[0]/16.0L;
381  eigen_X_exact[4][2*tuple ] = 0L;
382  eigen_X_exact[0][2*tuple+1] = 0.2L*M_exact[1]/28.016L;
383  eigen_X_exact[1][2*tuple+1] = 0.2L*M_exact[1]/32.0L;
384  eigen_X_exact[2][2*tuple+1] = 0.2L*M_exact[1]/14.008L;
385  eigen_X_exact[3][2*tuple+1] = 0.2L*M_exact[1]/16.0L;
386  eigen_X_exact[4][2*tuple+1] = 0.2L*M_exact[1]/30.008L;
387  }
388 
389 #ifdef ANTIOCH_HAVE_GRVY
390  const std::string testeigenA = testname + "-eigenA";
391  gt.BeginTimer(testeigenA);
392 #endif
393 
394  const PairScalars R_eigen = chem_mixture.R(eigen_mass_fractions);
395  const PairScalars M_eigen = chem_mixture.M(eigen_mass_fractions);
396  SpeciesVecEigenType eigen_X;
397  Antioch::init_constant(eigen_X, example);
398  chem_mixture.X( M_eigen, eigen_mass_fractions, eigen_X );
399 
400 #ifdef ANTIOCH_HAVE_GRVY
401  gt.EndTimer(testeigenA);
402 #endif
403 
404  const Scalar tol = (std::numeric_limits<Scalar>::epsilon() * 10 < 5e-17)?5e-17:
405  std::numeric_limits<Scalar>::epsilon() * 10;
406 
407  const PairScalars eigen_rel_R_error =
408  abs( (R_eigen - R_exact)/R_exact);
409  if( Antioch::max(eigen_rel_R_error) > tol )
410  {
411  std::cerr << "Error: Mismatch in mixture gas constant." << std::endl
412  << std::setprecision(16) << std::scientific
413  << "R_eigen = " << R_eigen << std::endl
414  << "R_exact = " << R_exact << std::endl;
415  return_flag = 1;
416  }
417 
418  const PairScalars eigen_rel_M_error =
419  abs( (M_eigen - M_exact)/M_exact);
420  if( Antioch::max(eigen_rel_M_error) > tol )
421  {
422  std::cerr << "Error: Mismatch in mixture molar mass." << std::endl
423  << std::setprecision(16) << std::scientific
424  << "M_eigen = " << M_eigen << std::endl
425  << "M_exact = " << M_exact << std::endl;
426  return_flag = 1;
427  }
428 
429  for( unsigned int s = 0; s < n_species; s++ )
430  {
431  const PairScalars eigen_rel_X_error =
432  abs( (eigen_X[s] - X_exact[s])/X_exact[s]);
433  if( Antioch::max(eigen_rel_X_error) > tol )
434  {
435  std::cerr << "Error: Mismatch in mole fraction for species " << s << std::endl
436  << std::setprecision(16) << std::scientific
437  << "X_eigen = " << eigen_X[s] << std::endl
438  << "X_exact = " << X_exact[s] << std::endl;
439  return_flag = 1;
440  }
441  }
442  }
443 
444  {
445  typedef Eigen::Matrix<PairScalars,Eigen::Dynamic,1> SpeciesVecEigenType;
446 
447  SpeciesVecEigenType eigen_mass_fractions(n_species, 1);
448  Antioch::init_constant(eigen_mass_fractions, mass_fractions[0]);
449 
450  SpeciesVecEigenType eigen_X_exact(n_species, 1);
451  Antioch::init_constant(eigen_X_exact, example);
452 
453  for (unsigned int tuple=0; tuple != ANTIOCH_N_TUPLES; ++tuple)
454  {
455  eigen_mass_fractions[4][2*tuple] = 0L;
456 
457  eigen_X_exact[0][2*tuple ] = 0.25L*M_exact[0]/28.016L;
458  eigen_X_exact[1][2*tuple ] = 0.25L*M_exact[0]/32.0L;
459  eigen_X_exact[2][2*tuple ] = 0.25L*M_exact[0]/14.008L;
460  eigen_X_exact[3][2*tuple ] = 0.25L*M_exact[0]/16.0L;
461  eigen_X_exact[4][2*tuple ] = 0L;
462  eigen_X_exact[0][2*tuple+1] = 0.2L*M_exact[1]/28.016L;
463  eigen_X_exact[1][2*tuple+1] = 0.2L*M_exact[1]/32.0L;
464  eigen_X_exact[2][2*tuple+1] = 0.2L*M_exact[1]/14.008L;
465  eigen_X_exact[3][2*tuple+1] = 0.2L*M_exact[1]/16.0L;
466  eigen_X_exact[4][2*tuple+1] = 0.2L*M_exact[1]/30.008L;
467  }
468 
469 #ifdef ANTIOCH_HAVE_GRVY
470  const std::string testeigenV = testname + "-eigenV";
471  gt.BeginTimer(testeigenV);
472 #endif
473 
474  const PairScalars R_eigen = chem_mixture.R(eigen_mass_fractions);
475  const PairScalars M_eigen = chem_mixture.M(eigen_mass_fractions);
476  SpeciesVecEigenType eigen_X(n_species, 1);
477  Antioch::init_constant(eigen_X, example);
478  chem_mixture.X( M_eigen, eigen_mass_fractions, eigen_X );
479 
480 #ifdef ANTIOCH_HAVE_GRVY
481  gt.EndTimer(testeigenV);
482 #endif
483 
484  const Scalar tol = (std::numeric_limits<Scalar>::epsilon() * 10 < 5e-17)?5e-17:
485  std::numeric_limits<Scalar>::epsilon() * 10;
486 
487  const PairScalars eigen_rel_R_error =
488  abs( (R_eigen - R_exact)/R_exact);
489  if( Antioch::max(eigen_rel_R_error) > tol )
490  {
491  std::cerr << "Error: Mismatch in mixture gas constant." << std::endl
492  << std::setprecision(16) << std::scientific
493  << "R_eigen = " << R_eigen << std::endl
494  << "R_exact = " << R_exact << std::endl;
495  return_flag = 1;
496  }
497 
498  const PairScalars eigen_rel_M_error =
499  abs( (M_eigen - M_exact)/M_exact);
500  if( Antioch::max(eigen_rel_M_error) > tol )
501  {
502  std::cerr << "Error: Mismatch in mixture molar mass." << std::endl
503  << std::setprecision(16) << std::scientific
504  << "M_eigen = " << M_eigen << std::endl
505  << "M_exact = " << M_exact << std::endl;
506  return_flag = 1;
507  }
508 
509  for( unsigned int s = 0; s < n_species; s++ )
510  {
511  const PairScalars eigen_rel_X_error =
512  abs( (eigen_X[s] - X_exact[s])/X_exact[s]);
513  if( Antioch::max(eigen_rel_X_error) > tol )
514  {
515  std::cerr << "Error: Mismatch in mole fraction for species " << s << std::endl
516  << std::setprecision(16) << std::scientific
517  << "X_eigen = " << eigen_X[s] << std::endl
518  << "X_exact = " << X_exact[s] << std::endl;
519  return_flag = 1;
520  }
521  }
522  }
523 #endif // ANTIOCH_HAVE_EIGEN
524 
525  return return_flag;
526 }
Antioch::max
Antioch::enable_if_c< is_eigen< T >::value, typename value_type< T >::type >::type max(const T &in)
Definition: eigen_utils.h:88
test_species
int test_species(const unsigned int species, const std::vector< Antioch::ChemicalSpecies< Scalar > * > &chemical_species, const std::string &species_name, Scalar molar_mass, Scalar gas_constant, Scalar formation_enthalpy, Scalar n_tr_dofs, int charge)
Definition: chem_mixture_vec_unit.C:84
Antioch::ChemicalMixture
Class storing chemical mixture properties.
Definition: chemical_mixture.h:75
Antioch::init_constant
void init_constant(Vector &output, const Scalar &example)
Definition: metaprogramming.h:119
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