GRINS-0.8.0
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GRINSTesting::SpectroscopicAbsorptionTest Class Reference
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Public Member Functions

 CPPUNIT_TEST_SUITE (SpectroscopicAbsorptionTest)
 
 CPPUNIT_TEST (single_elem_mesh)
 
 CPPUNIT_TEST (multi_elem_mesh)
 
 CPPUNIT_TEST (param_derivs)
 
 CPPUNIT_TEST (elem_qoi_derivatives)
 
 CPPUNIT_TEST_SUITE_END ()
 
void tearDown ()
 
void single_elem_mesh ()
 Single QUAD4 elem, uniform T,P,Y. More...
 
void multi_elem_mesh ()
 10x10 mesh, uniform T,P,Y More...
 
void param_derivs ()
 
void elem_qoi_derivatives ()
 

Private Member Functions

void run_test (const std::string filename, libMesh::Real calc_answer)
 Run the test on a given input file and calculated answer. More...
 
void init_sim (const std::string &filename)
 Initialize the GetPot and Simulation class objects. More...
 
void T_param_derivatives (GRINS::SharedPtr< AbsorptionCoeffTesting< GRINS::AntiochChemistry > >absorb, libMesh::Real T, libMesh::Real P, std::vector< libMesh::Real > &Y, unsigned int i)
 
void P_param_derivatives (GRINS::SharedPtr< AbsorptionCoeffTesting< GRINS::AntiochChemistry > >absorb, libMesh::Real T, libMesh::Real P, std::vector< libMesh::Real > &Y, unsigned int i)
 
void Y_param_derivatives (GRINS::SharedPtr< AbsorptionCoeffTesting< GRINS::AntiochChemistry > >absorb, libMesh::Real T, libMesh::Real P, std::vector< libMesh::Real > &Y, unsigned int i)
 
void check_param_derivatives (std::vector< libMesh::Real > &analytic, std::vector< libMesh::Real > &fd_plus, std::vector< libMesh::Real > &fd_minus, libMesh::Real delta)
 
void T_elem_derivative (GRINS::MultiphysicsSystem *system, GRINS::AssemblyContext *context)
 
void P_elem_derivative (GRINS::MultiphysicsSystem *system, GRINS::AssemblyContext *context)
 
void Y_elem_derivative (GRINS::MultiphysicsSystem *system, GRINS::AssemblyContext *context)
 
void test_var_elem_derivs (GRINS::MultiphysicsSystem *system, GRINS::AssemblyContext *context, unsigned int var_index, libMesh::Real delta)
 

Private Attributes

GRINS::SharedPtr< GRINS::Simulation > _sim
 
GRINS::SharedPtr< GetPot > _input
 

Detailed Description

Definition at line 60 of file spectroscopic_absorption_test.C.

Member Function Documentation

void GRINSTesting::SpectroscopicAbsorptionTest::check_param_derivatives ( std::vector< libMesh::Real > &  analytic,
std::vector< libMesh::Real > &  fd_plus,
std::vector< libMesh::Real > &  fd_minus,
libMesh::Real  delta 
)
inlineprivate

Definition at line 287 of file spectroscopic_absorption_test.C.

Referenced by P_param_derivatives(), T_param_derivatives(), and Y_param_derivatives().

288  {
289  for (unsigned int d=0; d<analytic.size(); ++d)
290  {
291  libMesh::Real f_analytic = analytic[d];
292  libMesh::Real fd_approx = (fd_plus[d] - fd_minus[d])/(2.0*delta);
293 
294  CPPUNIT_ASSERT_DOUBLES_EQUAL(fd_approx,f_analytic,libMesh::TOLERANCE);
295  }
296  }
GRINSTesting::SpectroscopicAbsorptionTest::CPPUNIT_TEST ( single_elem_mesh  )
GRINSTesting::SpectroscopicAbsorptionTest::CPPUNIT_TEST ( multi_elem_mesh  )
GRINSTesting::SpectroscopicAbsorptionTest::CPPUNIT_TEST ( param_derivs  )
GRINSTesting::SpectroscopicAbsorptionTest::CPPUNIT_TEST ( elem_qoi_derivatives  )
GRINSTesting::SpectroscopicAbsorptionTest::CPPUNIT_TEST_SUITE ( SpectroscopicAbsorptionTest  )
GRINSTesting::SpectroscopicAbsorptionTest::CPPUNIT_TEST_SUITE_END ( )
void GRINSTesting::SpectroscopicAbsorptionTest::elem_qoi_derivatives ( )
inline

Definition at line 133 of file spectroscopic_absorption_test.C.

References _sim, GRINS::MultiphysicsSystem::build_context(), GRINS::MultiphysicsSystem::init_context(), init_sim(), P_elem_derivative(), T_elem_derivative(), and Y_elem_derivative().

134  {
135  const std::string filename = std::string(GRINS_TEST_UNIT_INPUT_SRCDIR)+"/spectroscopic_absorption_qoi.in";
136 
137  // run the Simulation once to ensure everything is initialized and populated
138  this->init_sim(filename);
139  _sim->run();
140 
141  GRINS::MultiphysicsSystem * system = _sim->get_multiphysics_system();
142  GRINS::AssemblyContext * context = libMesh::cast_ptr<GRINS::AssemblyContext*>(system->build_context().release());
143  system->init_context(*context);
144  context->pre_fe_reinit(*system,system->get_mesh().elem_ptr(0));
145 
146  libMesh::QoISet qs;
147  qs.add_index(0);
148 
149  libMesh::DifferentiableQoI * qoi = system->get_qoi();
150  qoi->element_qoi_derivative(*context,qs);
151 
152  this->T_elem_derivative(system,context);
153  this->P_elem_derivative(system,context);
154  this->Y_elem_derivative(system,context);
155  }
GRINSTesting::SpectroscopicAbsorptionTest::T_elem_derivative
void T_elem_derivative(GRINS::MultiphysicsSystem *system, GRINS::AssemblyContext *context)
Definition: spectroscopic_absorption_test.C:298
GRINS::MultiphysicsSystem::build_context
virtual libMesh::UniquePtr< libMesh::DiffContext > build_context()
Override FEMSystem::build_context in order to use our own AssemblyContext.
Definition: multiphysics_sys.C:198
GRINS::MultiphysicsSystem
Interface with libMesh for solving Multiphysics problems.
Definition: multiphysics_sys.h:77
GRINSTesting::SpectroscopicAbsorptionTest::P_elem_derivative
void P_elem_derivative(GRINS::MultiphysicsSystem *system, GRINS::AssemblyContext *context)
Definition: spectroscopic_absorption_test.C:305
GRINSTesting::SpectroscopicAbsorptionTest::Y_elem_derivative
void Y_elem_derivative(GRINS::MultiphysicsSystem *system, GRINS::AssemblyContext *context)
Definition: spectroscopic_absorption_test.C:312
GRINS::MultiphysicsSystem::init_context
virtual void init_context(libMesh::DiffContext &context)
Context initialization. Calls each physics implementation of init_context()
Definition: multiphysics_sys.C:254
GRINSTesting::SpectroscopicAbsorptionTest::init_sim
void init_sim(const std::string &filename)
Initialize the GetPot and Simulation class objects.
Definition: spectroscopic_absorption_test.C:172
void GRINSTesting::SpectroscopicAbsorptionTest::init_sim ( const std::string &  filename)
inlineprivate

Initialize the GetPot and Simulation class objects.

Definition at line 172 of file spectroscopic_absorption_test.C.

References TestCommWorld.

Referenced by elem_qoi_derivatives(), param_derivs(), and run_test().

173  {
174  _input.reset(new GetPot(filename));
175 
176  const char * const argv = "unit_driver";
177  GetPot empty_command_line( (const int)1,&argv );
178  GRINS::SimulationBuilder sim_builder;
179 
180  _sim = new GRINS::Simulation(*_input,
181  empty_command_line,
182  sim_builder,
183  *TestCommWorld );
184  }
TestCommWorld
libMesh::Parallel::Communicator * TestCommWorld
Definition: unit_driver.C:70
void GRINSTesting::SpectroscopicAbsorptionTest::multi_elem_mesh ( )
inline

10x10 mesh, uniform T,P,Y

Definition at line 88 of file spectroscopic_absorption_test.C.

References run_test().

89  {
90  const std::string filename = std::string(GRINS_TEST_UNIT_INPUT_SRCDIR)+"/spectroscopic_absorption_qoi_fine.in";
91  libMesh::Real calc_answer = 0.520403290868787; // same physical conditions as single_elem_mesh, so answer should not change
92 
93  this->run_test(filename,calc_answer);
94  }
GRINSTesting::SpectroscopicAbsorptionTest::run_test
void run_test(const std::string filename, libMesh::Real calc_answer)
Run the test on a given input file and calculated answer.
Definition: spectroscopic_absorption_test.C:162
void GRINSTesting::SpectroscopicAbsorptionTest::P_elem_derivative ( GRINS::MultiphysicsSystem *  system,
GRINS::AssemblyContext *  context 
)
inlineprivate

Definition at line 305 of file spectroscopic_absorption_test.C.

References GRINS::PressureFEVariable::p(), and test_var_elem_derivs().

Referenced by elem_qoi_derivatives().

306  {
307  GRINS::PressureFEVariable P_var( GRINS::GRINSPrivate::VariableWarehouse::get_variable_subclass<GRINS::PressureFEVariable>("Pressure") );
308  libMesh::Real delta = 1e-3;
309  test_var_elem_derivs(system,context,P_var.p(),delta);
310  }
GRINSTesting::SpectroscopicAbsorptionTest::test_var_elem_derivs
void test_var_elem_derivs(GRINS::MultiphysicsSystem *system, GRINS::AssemblyContext *context, unsigned int var_index, libMesh::Real delta)
Definition: spectroscopic_absorption_test.C:319
void GRINSTesting::SpectroscopicAbsorptionTest::P_param_derivatives ( GRINS::SharedPtr< AbsorptionCoeffTesting< GRINS::AntiochChemistry > >  absorb,
libMesh::Real  T,
libMesh::Real  P,
std::vector< libMesh::Real > &  Y,
unsigned int  i 
)
inlineprivate

Definition at line 220 of file spectroscopic_absorption_test.C.

References check_param_derivatives().

Referenced by param_derivs().

221  {
222  libMesh::Real delta = 1.0e-3;
223 
224  std::vector<libMesh::Real> P_analytic;
225  P_analytic.push_back(absorb->dS_dP(T,P,i));
226  P_analytic.push_back(absorb->d_nuC_dP(T,Y,i));
227  P_analytic.push_back(absorb->d_nuD_dP(T,i));
228  P_analytic.push_back(absorb->d_voigt_a_dP(T,P,Y,i));
229  P_analytic.push_back(absorb->d_voigt_w_dP(T,P,i));
230  P_analytic.push_back(absorb->d_voigt_dP(T,P,Y,i));
231  P_analytic.push_back(absorb->d_kv_dP(T,P,Y,i));
232 
233  std::vector<libMesh::Real> fd_plus;
234  fd_plus.push_back(absorb->Sw(T,P+delta,i));
235  fd_plus.push_back(absorb->nu_C(T,P+delta,Y,i));
236  fd_plus.push_back(absorb->nu_D(T,P+delta,i));
237  fd_plus.push_back(absorb->voigt_a(T,P+delta,Y,i));
238  fd_plus.push_back(absorb->voigt_w(T,P+delta,i));
239  fd_plus.push_back(absorb->voigt(T,P+delta,Y,i));
240  fd_plus.push_back(absorb->kv(T,P+delta,Y,i));
241 
242  std::vector<libMesh::Real> fd_minus;
243  fd_minus.push_back(absorb->Sw(T,P-delta,i));
244  fd_minus.push_back(absorb->nu_C(T,P-delta,Y,i));
245  fd_minus.push_back(absorb->nu_D(T,P-delta,i));
246  fd_minus.push_back(absorb->voigt_a(T,P-delta,Y,i));
247  fd_minus.push_back(absorb->voigt_w(T,P-delta,i));
248  fd_minus.push_back(absorb->voigt(T,P-delta,Y,i));
249  fd_minus.push_back(absorb->kv(T,P-delta,Y,i));
250 
251  check_param_derivatives(P_analytic,fd_plus,fd_minus,delta);
252  }
GRINSTesting::SpectroscopicAbsorptionTest::check_param_derivatives
void check_param_derivatives(std::vector< libMesh::Real > &analytic, std::vector< libMesh::Real > &fd_plus, std::vector< libMesh::Real > &fd_minus, libMesh::Real delta)
Definition: spectroscopic_absorption_test.C:287
void GRINSTesting::SpectroscopicAbsorptionTest::param_derivs ( )
inline

Definition at line 96 of file spectroscopic_absorption_test.C.

References _input, GRINS::ChemistryBuilder::build_chemistry(), init_sim(), P_param_derivatives(), T_param_derivatives(), and Y_param_derivatives().

97  {
98  const std::string filename = std::string(GRINS_TEST_UNIT_INPUT_SRCDIR)+"/spectroscopic_absorption_qoi.in";
99  this->init_sim(filename);
100 
101  std::string material = "TestMaterial";
102  std::string hitran_data = "./test_data/CO2_data.dat";
103  std::string hitran_partition = "./test_data/CO2_partition_function.dat";
104  libMesh::Real T_min = 290.0,
105  T_max = 310.0,
106  T_step = 0.01;
107  GRINS::SharedPtr<GRINS::HITRAN> hitran( new GRINS::HITRAN(hitran_data,hitran_partition,T_min,T_max,T_step) );
108 
109  std::string species = "CO2";
110  libMesh::Real thermo_pressure = 5066.25;
111  libMesh::Real nu_desired = 3682.7649;
112  libMesh::Real nu_min = 3682.69;
113  libMesh::Real nu_max = 3682.8;
114  GRINS::ChemistryBuilder chem_builder;
115  libMesh::UniquePtr<GRINS::AntiochChemistry> chem_ptr;
116  chem_builder.build_chemistry(*(_input.get()),material,chem_ptr);
117  GRINS::SharedPtr<GRINS::AntiochChemistry> chem(chem_ptr.release());
118  GRINS::SharedPtr<AbsorptionCoeffTesting<GRINS::AntiochChemistry> > absorb = new AbsorptionCoeffTesting<GRINS::AntiochChemistry>(chem,hitran,nu_min,nu_max,nu_desired,species,thermo_pressure);
119 
120  libMesh::Real T = 300.0;
121  libMesh::Real P = 5066.25;
122 
123  std::vector<libMesh::Real> Y = {0.0763662233, 0.9236337767};
124 
125  for (unsigned int i=0; i<33; ++i)
126  {
127  this->T_param_derivatives(absorb,T,P,Y,i);
128  this->P_param_derivatives(absorb,T,P,Y,i);
129  this->Y_param_derivatives(absorb,T,P,Y,i);
130  }
131  }
GRINSTesting::SpectroscopicAbsorptionTest::Y_param_derivatives
void Y_param_derivatives(GRINS::SharedPtr< AbsorptionCoeffTesting< GRINS::AntiochChemistry > >absorb, libMesh::Real T, libMesh::Real P, std::vector< libMesh::Real > &Y, unsigned int i)
Definition: spectroscopic_absorption_test.C:254
GRINSTesting::SpectroscopicAbsorptionTest::P_param_derivatives
void P_param_derivatives(GRINS::SharedPtr< AbsorptionCoeffTesting< GRINS::AntiochChemistry > >absorb, libMesh::Real T, libMesh::Real P, std::vector< libMesh::Real > &Y, unsigned int i)
Definition: spectroscopic_absorption_test.C:220
GRINSTesting::SpectroscopicAbsorptionTest::T_param_derivatives
void T_param_derivatives(GRINS::SharedPtr< AbsorptionCoeffTesting< GRINS::AntiochChemistry > >absorb, libMesh::Real T, libMesh::Real P, std::vector< libMesh::Real > &Y, unsigned int i)
Definition: spectroscopic_absorption_test.C:186
GRINS::HITRAN
HITRAN interface object.
Definition: hitran.h:58
GRINS::ChemistryBuilder::build_chemistry
void build_chemistry(const GetPot &input, const std::string &material, libMesh::UniquePtr< ChemistryType > &chem_ptr)
GRINSTesting::SpectroscopicAbsorptionTest::init_sim
void init_sim(const std::string &filename)
Initialize the GetPot and Simulation class objects.
Definition: spectroscopic_absorption_test.C:172
void GRINSTesting::SpectroscopicAbsorptionTest::run_test ( const std::string  filename,
libMesh::Real  calc_answer 
)
inlineprivate

Run the test on a given input file and calculated answer.

Definition at line 162 of file spectroscopic_absorption_test.C.

References init_sim().

Referenced by multi_elem_mesh(), and single_elem_mesh().

163  {
164  this->init_sim(filename);
165 
166  _sim->run();
167 
168  CPPUNIT_ASSERT_DOUBLES_EQUAL( calc_answer, _sim->get_qoi_value(0),libMesh::TOLERANCE );
169  }
GRINSTesting::SpectroscopicAbsorptionTest::init_sim
void init_sim(const std::string &filename)
Initialize the GetPot and Simulation class objects.
Definition: spectroscopic_absorption_test.C:172
void GRINSTesting::SpectroscopicAbsorptionTest::single_elem_mesh ( )
inline

Single QUAD4 elem, uniform T,P,Y.

Definition at line 79 of file spectroscopic_absorption_test.C.

References run_test().

80  {
81  const std::string filename = std::string(GRINS_TEST_UNIT_INPUT_SRCDIR)+"/spectroscopic_absorption_qoi.in";
82  libMesh::Real calc_answer = 0.520403290868787;
83 
84  this->run_test(filename,calc_answer);
85  }
GRINSTesting::SpectroscopicAbsorptionTest::run_test
void run_test(const std::string filename, libMesh::Real calc_answer)
Run the test on a given input file and calculated answer.
Definition: spectroscopic_absorption_test.C:162
void GRINSTesting::SpectroscopicAbsorptionTest::T_elem_derivative ( GRINS::MultiphysicsSystem *  system,
GRINS::AssemblyContext *  context 
)
inlineprivate

Definition at line 298 of file spectroscopic_absorption_test.C.

References GRINS::PrimitiveTempFEVariables::T(), and test_var_elem_derivs().

Referenced by elem_qoi_derivatives().

299  {
300  GRINS::PrimitiveTempFEVariables T_var( GRINS::GRINSPrivate::VariableWarehouse::get_variable_subclass<GRINS::PrimitiveTempFEVariables>("Temperature") );
301  libMesh::Real delta = 1e-6;
302  test_var_elem_derivs(system,context,T_var.T(),delta);
303  }
GRINSTesting::SpectroscopicAbsorptionTest::test_var_elem_derivs
void test_var_elem_derivs(GRINS::MultiphysicsSystem *system, GRINS::AssemblyContext *context, unsigned int var_index, libMesh::Real delta)
Definition: spectroscopic_absorption_test.C:319
void GRINSTesting::SpectroscopicAbsorptionTest::T_param_derivatives ( GRINS::SharedPtr< AbsorptionCoeffTesting< GRINS::AntiochChemistry > >  absorb,
libMesh::Real  T,
libMesh::Real  P,
std::vector< libMesh::Real > &  Y,
unsigned int  i 
)
inlineprivate

Definition at line 186 of file spectroscopic_absorption_test.C.

References check_param_derivatives().

Referenced by param_derivs().

187  {
188  libMesh::Real delta = 1.0e-6;
189 
190  std::vector<libMesh::Real> T_analytic;
191  T_analytic.push_back(absorb->dS_dT(T,P,i));
192  T_analytic.push_back(absorb->d_nuC_dT(T,P,Y,i));
193  T_analytic.push_back(absorb->d_nuD_dT(T,P,i));
194  T_analytic.push_back(absorb->d_voigt_a_dT(T,P,Y,i));
195  T_analytic.push_back(absorb->d_voigt_w_dT(T,P,i));
196  T_analytic.push_back(absorb->d_voigt_dT(T,P,Y,i));
197  T_analytic.push_back(absorb->d_kv_dT(T,P,Y,i));
198 
199  std::vector<libMesh::Real> fd_plus;
200  fd_plus.push_back(absorb->Sw(T+delta,P,i));
201  fd_plus.push_back(absorb->nu_C(T+delta,P,Y,i));
202  fd_plus.push_back(absorb->nu_D(T+delta,P,i));
203  fd_plus.push_back(absorb->voigt_a(T+delta,P,Y,i));
204  fd_plus.push_back(absorb->voigt_w(T+delta,P,i));
205  fd_plus.push_back(absorb->voigt(T+delta,P,Y,i));
206  fd_plus.push_back(absorb->kv(T+delta,P,Y,i));
207 
208  std::vector<libMesh::Real> fd_minus;
209  fd_minus.push_back(absorb->Sw(T-delta,P,i));
210  fd_minus.push_back(absorb->nu_C(T-delta,P,Y,i));
211  fd_minus.push_back(absorb->nu_D(T-delta,P,i));
212  fd_minus.push_back(absorb->voigt_a(T-delta,P,Y,i));
213  fd_minus.push_back(absorb->voigt_w(T-delta,P,i));
214  fd_minus.push_back(absorb->voigt(T-delta,P,Y,i));
215  fd_minus.push_back(absorb->kv(T-delta,P,Y,i));
216 
217  check_param_derivatives(T_analytic,fd_plus,fd_minus,delta);
218  }
GRINSTesting::SpectroscopicAbsorptionTest::check_param_derivatives
void check_param_derivatives(std::vector< libMesh::Real > &analytic, std::vector< libMesh::Real > &fd_plus, std::vector< libMesh::Real > &fd_minus, libMesh::Real delta)
Definition: spectroscopic_absorption_test.C:287
void GRINSTesting::SpectroscopicAbsorptionTest::tearDown ( )
inline

Definition at line 72 of file spectroscopic_absorption_test.C.

References GRINS::GRINSPrivate::VariableWarehouse::clear().

73  {
74  // Clear out the VariableWarehouse so it doesn't interfere with other tests.
75  GRINS::GRINSPrivate::VariableWarehouse::clear();
76  }
GRINS::GRINSPrivate::VariableWarehouse::clear
static void clear()
Clears the var_map()
Definition: variable_warehouse.h:76
void GRINSTesting::SpectroscopicAbsorptionTest::test_var_elem_derivs ( GRINS::MultiphysicsSystem *  system,
GRINS::AssemblyContext *  context,
unsigned int  var_index,
libMesh::Real  delta 
)
inlineprivate

Definition at line 319 of file spectroscopic_absorption_test.C.

Referenced by P_elem_derivative(), T_elem_derivative(), and Y_elem_derivative().

320  {
321  libMesh::DifferentiableQoI * qoi = system->get_qoi();
322  libMesh::Number & qoi_value = context->get_qois()[0];
323  qoi_value = 0.0;
324 
325  libMesh::QoISet qs;
326  qs.add_index(0);
327 
328  libMesh::DenseSubVector<libMesh::Number> deriv = context->get_qoi_derivatives(0,var_index);
329  libMesh::DenseSubVector<libMesh::Number> & solution = context->get_elem_solution(var_index);
330 
331  for (unsigned int d=0; d<solution.size(); ++d)
332  {
333  libMesh::Number soln = solution.el(d);
334 
335  solution(d) = soln+delta;
336  qoi->element_qoi(*context,qs);
337  libMesh::Number qoi_p1 = qoi_value;
338  qoi_value = 0.0;
339 
340  solution(d) = soln-delta;
341  qoi->element_qoi(*context,qs);
342  libMesh::Number qoi_m1= qoi_value;
343  qoi_value = 0.0;
344 
345  solution(d) = soln;
346 
347  libMesh::Real fd_approx = (qoi_p1 - qoi_m1)/(2.0*delta);
348 
349  CPPUNIT_ASSERT_DOUBLES_EQUAL(fd_approx,deriv(d),libMesh::TOLERANCE);
350  }
351  }
void GRINSTesting::SpectroscopicAbsorptionTest::Y_elem_derivative ( GRINS::MultiphysicsSystem *  system,
GRINS::AssemblyContext *  context 
)
inlineprivate

Definition at line 312 of file spectroscopic_absorption_test.C.

References GRINS::SpeciesMassFractionsVariable::species(), and test_var_elem_derivs().

Referenced by elem_qoi_derivatives().

313  {
314  GRINS::SpeciesMassFractionsVariable Y_var( GRINS::GRINSPrivate::VariableWarehouse::get_variable_subclass<GRINS::SpeciesMassFractionsVariable>("SpeciesMassFractions") );
315  libMesh::Real delta = 1e-8;
316  test_var_elem_derivs(system,context,Y_var.species(0),delta);
317  }
GRINSTesting::SpectroscopicAbsorptionTest::test_var_elem_derivs
void test_var_elem_derivs(GRINS::MultiphysicsSystem *system, GRINS::AssemblyContext *context, unsigned int var_index, libMesh::Real delta)
Definition: spectroscopic_absorption_test.C:319
void GRINSTesting::SpectroscopicAbsorptionTest::Y_param_derivatives ( GRINS::SharedPtr< AbsorptionCoeffTesting< GRINS::AntiochChemistry > >  absorb,
libMesh::Real  T,
libMesh::Real  P,
std::vector< libMesh::Real > &  Y,
unsigned int  i 
)
inlineprivate

Definition at line 254 of file spectroscopic_absorption_test.C.

References check_param_derivatives().

Referenced by param_derivs().

255  {
256  libMesh::Real delta = 1.0e-8;
257 
258  libMesh::Real y_base = Y[0];
259  std::vector<libMesh::Real> Y_analytic;
260  Y_analytic.push_back(absorb->dX_dY(Y));
261  Y_analytic.push_back(absorb->d_nuC_dY(T,P,Y,i));
262  Y_analytic.push_back(absorb->d_voigt_a_dY(T,P,Y,i));
263  Y_analytic.push_back(absorb->d_voigt_dY(T,P,Y,i));
264  Y_analytic.push_back(absorb->d_kv_dY(T,P,Y,i));
265 
266  std::vector<libMesh::Real> fd_plus;
267  Y[0] = y_base + delta;
268  fd_plus.push_back(absorb->_chemistry->X(absorb->_species_idx,absorb->_chemistry->M_mix(Y),Y[absorb->_species_idx]));
269  fd_plus.push_back(absorb->nu_C(T,P,Y,i));
270  fd_plus.push_back(absorb->voigt_a(T,P,Y,i));
271  fd_plus.push_back(absorb->voigt(T,P,Y,i));
272  fd_plus.push_back(absorb->kv(T,P,Y,i));
273 
274  std::vector<libMesh::Real> fd_minus;
275  Y[0] = y_base - delta;
276  fd_minus.push_back(absorb->_chemistry->X(absorb->_species_idx,absorb->_chemistry->M_mix(Y),Y[absorb->_species_idx]));
277  fd_minus.push_back(absorb->nu_C(T,P,Y,i));
278  fd_minus.push_back(absorb->voigt_a(T,P,Y,i));
279  fd_minus.push_back(absorb->voigt(T,P,Y,i));
280  fd_minus.push_back(absorb->kv(T,P,Y,i));
281 
282  Y[0] = y_base;
283 
284  check_param_derivatives(Y_analytic,fd_plus,fd_minus,delta);
285  }
GRINSTesting::SpectroscopicAbsorptionTest::check_param_derivatives
void check_param_derivatives(std::vector< libMesh::Real > &analytic, std::vector< libMesh::Real > &fd_plus, std::vector< libMesh::Real > &fd_minus, libMesh::Real delta)
Definition: spectroscopic_absorption_test.C:287

Member Data Documentation

GRINS::SharedPtr<GetPot> GRINSTesting::SpectroscopicAbsorptionTest::_input
private

Definition at line 159 of file spectroscopic_absorption_test.C.

Referenced by param_derivs().

GRINS::SharedPtr<GRINS::Simulation> GRINSTesting::SpectroscopicAbsorptionTest::_sim
private

Definition at line 158 of file spectroscopic_absorption_test.C.

Referenced by elem_qoi_derivatives().

The documentation for this class was generated from the following file:
Generated on Tue Dec 19 2017 12:47:33 for GRINS-0.8.0 by  doxygen 1.8.9.1