antioch-0.4.0
List of all members | Public Member Functions | Protected Member Functions | Protected Attributes
AntiochTesting::ArrheniusRateVectorTestBase< PairScalars > Class Template Reference

#include <arrhenius_rate_vector_test_base.h>

Inheritance diagram for AntiochTesting::ArrheniusRateVectorTestBase< PairScalars >:
AntiochTesting::ArrheniusRateTestHelper< Antioch::value_type< PairScalars >::type > AntiochTesting::ReactionRateVectorTestBase< Antioch::ArrheniusRate< Antioch::value_type< PairScalars >::type >, PairScalars >

Public Member Functions

virtual void init ()
 
virtual void clear ()
 
void test_standard_rate ()
 
void test_standard_deriv ()
 
void test_standard_rate_and_deriv ()
 
void test_rate (const Antioch::ArrheniusRate< Antioch::value_type< PairScalars >::type > &reaction_rate, const PairScalars &T, typename Antioch::value_type< PairScalars >::typetol)
 
void test_deriv (const Antioch::ArrheniusRate< Antioch::value_type< PairScalars >::type > &reaction_rate, const PairScalars &T, typename Antioch::value_type< PairScalars >::typetol)
 
void test_rate_and_deriv (const Antioch::ArrheniusRate< Antioch::value_type< PairScalars >::type > &reaction_rate, const PairScalars &T, typename Antioch::value_type< PairScalars >::typetol)
 

Protected Member Functions

virtual PairScalars exact_rate (PairScalars T)
 
virtual PairScalars exact_deriv (PairScalars T)
 
void reset_params (Antioch::value_type< PairScalars >::typeCf, Antioch::value_type< PairScalars >::typeEa)
 
void reset_params (Antioch::value_type< PairScalars >::typeCf, Antioch::value_type< PairScalars >::typeEa, Antioch::value_type< PairScalars >::typeR)
 
Antioch::value_type
< PairScalars >::type 		value (Antioch::value_type< PairScalars >::typeT)
 
Antioch::value_type
< PairScalars >::type 		deriv (Antioch::value_type< PairScalars >::typeT)
 
PairScalars setup_T (const PairScalars &example)
 

Protected Attributes

Antioch::ArrheniusRate
< typename Antioch::value_type
< PairScalars >::type > * 		_rate
 
Antioch::value_type
< PairScalars >::type 		_Cf
 
Antioch::value_type
< PairScalars >::type 		_Ea
 
Antioch::value_type
< PairScalars >::type 		_R
 
PairScalars * _example
 

Detailed Description

template<typename PairScalars>
class AntiochTesting::ArrheniusRateVectorTestBase< PairScalars >

Definition at line 48 of file arrhenius_rate_vector_test_base.h.

Member Function Documentation

template<typename PairScalars>
virtual void AntiochTesting::ArrheniusRateVectorTestBase< PairScalars >::clear ( )
inlinevirtual

Definition at line 64 of file arrhenius_rate_vector_test_base.h.

65  {
66  delete _rate;
67  }
AntiochTesting::ArrheniusRateVectorTestBase::_rate
Antioch::ArrheniusRate< typename Antioch::value_type< PairScalars >::type > * _rate
Definition: arrhenius_rate_vector_test_base.h:98
Antioch::value_type< PairScalars >::type AntiochTesting::ArrheniusRateTestHelper< Antioch::value_type< PairScalars >::type >::deriv ( Antioch::value_type< PairScalars >::type  T)
inlineprotectedinherited

Definition at line 65 of file arrhenius_rate_test_helper.h.

Referenced by AntiochTesting::ArrheniusRateVectorTestBase< vex::vector< float > >::exact_deriv().

66  {
67  using std::exp;
68  return _Ea/(_R*T*T)*_Cf *exp(-_Ea/(_R*T));
69  }
template<typename PairScalars>
virtual PairScalars AntiochTesting::ArrheniusRateVectorTestBase< PairScalars >::exact_deriv ( PairScalars  T)
inlineprotectedvirtual

Implements AntiochTesting::ReactionRateVectorTestBase< Antioch::ArrheniusRate< Antioch::value_type< PairScalars >::type >, PairScalars >.

Definition at line 111 of file arrhenius_rate_vector_test_base.h.

112  {
113  PairScalars e_deriv = *(this->_example);
114  for (unsigned int tuple=0; tuple != ANTIOCH_N_TUPLES; ++tuple)
115  {
116  e_deriv[2*tuple] = this->deriv(T[2*tuple]);
117  e_deriv[2*tuple+1] = this->deriv(T[2*tuple+1]);
118  }
119  return e_deriv;
120  }
AntiochTesting::ArrheniusRateTestHelper< Antioch::value_type< PairScalars >::type >::deriv
Antioch::value_type< PairScalars >::type deriv(Antioch::value_type< PairScalars >::typeT)
Definition: arrhenius_rate_test_helper.h:65
template<typename PairScalars>
virtual PairScalars AntiochTesting::ArrheniusRateVectorTestBase< PairScalars >::exact_rate ( PairScalars  T)
inlineprotectedvirtual

Implements AntiochTesting::ReactionRateVectorTestBase< Antioch::ArrheniusRate< Antioch::value_type< PairScalars >::type >, PairScalars >.

Definition at line 100 of file arrhenius_rate_vector_test_base.h.

101  {
102  PairScalars e_rate = *(this->_example);
103  for (unsigned int tuple=0; tuple != ANTIOCH_N_TUPLES; ++tuple)
104  {
105  e_rate[2*tuple] = this->value(T[2*tuple]);
106  e_rate[2*tuple+1] = this->value(T[2*tuple+1]);
107  }
108  return e_rate;
109  }
AntiochTesting::ArrheniusRateTestHelper< Antioch::value_type< PairScalars >::type >::value
Antioch::value_type< PairScalars >::type value(Antioch::value_type< PairScalars >::typeT)
Definition: arrhenius_rate_test_helper.h:59
template<typename PairScalars>
virtual void AntiochTesting::ArrheniusRateVectorTestBase< PairScalars >::init ( )
inlinevirtual

Definition at line 52 of file arrhenius_rate_vector_test_base.h.

53  {
54  typedef typename Antioch::value_type<PairScalars>::type Scalar;
55 
56  Scalar Cf = 1.4L;
57  Scalar Ea = 5.0L;
58  Scalar R = 1.0L; // Ea in K
59 
60  this->reset_params(Cf,Ea,R);
61  _rate = new Antioch::ArrheniusRate<Scalar>(Cf,Ea,R);
62  }
AntiochTesting::ArrheniusRateVectorTestBase::_rate
Antioch::ArrheniusRate< typename Antioch::value_type< PairScalars >::type > * _rate
Definition: arrhenius_rate_vector_test_base.h:98
AntiochTesting::ArrheniusRateTestHelper< Antioch::value_type< PairScalars >::type >::reset_params
void reset_params(Antioch::value_type< PairScalars >::typeCf, Antioch::value_type< PairScalars >::typeEa)
Definition: arrhenius_rate_test_helper.h:46
void AntiochTesting::ArrheniusRateTestHelper< Antioch::value_type< PairScalars >::type >::reset_params ( Antioch::value_type< PairScalars >::type  Cf,
Antioch::value_type< PairScalars >::type  Ea 
)
inlineprotectedinherited

Definition at line 46 of file arrhenius_rate_test_helper.h.

Referenced by AntiochTesting::ArrheniusRateVectorTestBase< vex::vector< float > >::init().

47  {
48  _Cf = Cf;
49  _Ea = Ea;
50  }
void AntiochTesting::ArrheniusRateTestHelper< Antioch::value_type< PairScalars >::type >::reset_params ( Antioch::value_type< PairScalars >::type  Cf,
Antioch::value_type< PairScalars >::type  Ea,
Antioch::value_type< PairScalars >::type  R 
)
inlineprotectedinherited

Definition at line 52 of file arrhenius_rate_test_helper.h.

53  {
54  _Cf = Cf;
55  _Ea = Ea;
56  _R = R;
57  }
PairScalars AntiochTesting::ReactionRateVectorTestBase< Antioch::ArrheniusRate< Antioch::value_type< PairScalars >::type > , PairScalars >::setup_T ( const PairScalars &  example)
inlineprotectedinherited

Definition at line 123 of file reaction_rate_vector_test_base.h.

Referenced by AntiochTesting::ArrheniusRateVectorTestBase< vex::vector< float > >::test_standard_deriv(), AntiochTesting::ArrheniusRateVectorTestBase< vex::vector< float > >::test_standard_rate(), and AntiochTesting::ArrheniusRateVectorTestBase< vex::vector< float > >::test_standard_rate_and_deriv().

124  {
125  // Construct from example to avoid resizing issues
126  PairScalars T = example;
127  for (unsigned int tuple=0; tuple != ANTIOCH_N_TUPLES; ++tuple)
128  {
129  T[2*tuple] = 1500.1;
130  T[2*tuple+1] = 1600.1;
131  }
132  return T;
133  }
void AntiochTesting::ReactionRateVectorTestBase< Antioch::ArrheniusRate< Antioch::value_type< PairScalars >::type > , PairScalars >::test_deriv ( const Antioch::ArrheniusRate< Antioch::value_type< PairScalars >::type > &  reaction_rate,
const PairScalars &  T,
typename Antioch::value_type< PairScalars >::type  tol 
)
inlineinherited

Definition at line 64 of file reaction_rate_vector_test_base.h.

Referenced by AntiochTesting::ArrheniusRateVectorTestBase< vex::vector< float > >::test_standard_deriv().

67  {
68  const PairScalars deriv = reaction_rate.derivative(T);
69  const PairScalars exact_deriv = this->exact_deriv(T);
70 
71  for (unsigned int tuple=0; tuple != ANTIOCH_N_TUPLES; ++tuple)
72  {
73  CPPUNIT_ASSERT_DOUBLES_EQUAL( deriv[2*tuple],
74  exact_deriv[0],
75  tol );
76 
77  CPPUNIT_ASSERT_DOUBLES_EQUAL( deriv[2*tuple+1],
78  exact_deriv[1],
79  tol );
80 
81  }
82  }
Antioch::ArrheniusRate::derivative
_Cf VectorStateType VectorStateType derivative(const KineticsConditions< StateType, VectorStateType > &T) const ANTIOCH_AUTOFUNC(StateType
void AntiochTesting::ReactionRateVectorTestBase< Antioch::ArrheniusRate< Antioch::value_type< PairScalars >::type > , PairScalars >::test_rate ( const Antioch::ArrheniusRate< Antioch::value_type< PairScalars >::type > &  reaction_rate,
const PairScalars &  T,
typename Antioch::value_type< PairScalars >::type  tol 
)
inlineinherited

Definition at line 44 of file reaction_rate_vector_test_base.h.

Referenced by AntiochTesting::ArrheniusRateVectorTestBase< vex::vector< float > >::test_standard_rate().

47  {
48  const PairScalars rate = reaction_rate(T);
49  const PairScalars exact_rate = this->exact_rate(T);
50 
51  for (unsigned int tuple=0; tuple != ANTIOCH_N_TUPLES; ++tuple)
52  {
53  CPPUNIT_ASSERT_DOUBLES_EQUAL( rate[2*tuple],
54  exact_rate[0],
55  tol );
56 
57  CPPUNIT_ASSERT_DOUBLES_EQUAL( rate[2*tuple+1],
58  exact_rate[1],
59  tol );
60 
61  }
62  }
void AntiochTesting::ReactionRateVectorTestBase< Antioch::ArrheniusRate< Antioch::value_type< PairScalars >::type > , PairScalars >::test_rate_and_deriv ( const Antioch::ArrheniusRate< Antioch::value_type< PairScalars >::type > &  reaction_rate,
const PairScalars &  T,
typename Antioch::value_type< PairScalars >::type  tol 
)
inlineinherited

Definition at line 84 of file reaction_rate_vector_test_base.h.

Referenced by AntiochTesting::ArrheniusRateVectorTestBase< vex::vector< float > >::test_standard_rate_and_deriv().

87  {
88  // Init using T as the "example"
89  PairScalars rate = T;
90  PairScalars deriv = T;
91 
92  reaction_rate.rate_and_derivative(T,rate,deriv);
93 
94  const PairScalars exact_rate = this->exact_rate(T);
95  const PairScalars exact_deriv = this->exact_deriv(T);
96 
97  for (unsigned int tuple=0; tuple != ANTIOCH_N_TUPLES; ++tuple)
98  {
99  CPPUNIT_ASSERT_DOUBLES_EQUAL( rate[2*tuple],
100  exact_rate[0],
101  tol );
102 
103  CPPUNIT_ASSERT_DOUBLES_EQUAL( rate[2*tuple+1],
104  exact_rate[1],
105  tol );
106 
107  CPPUNIT_ASSERT_DOUBLES_EQUAL( deriv[2*tuple],
108  exact_deriv[0],
109  tol );
110 
111  CPPUNIT_ASSERT_DOUBLES_EQUAL( deriv[2*tuple+1],
112  exact_deriv[1],
113  tol );
114  }
115  }
Antioch::ArrheniusRate::rate_and_derivative
_Cf VectorStateType VectorStateType(*) VectorStateType voi rate_and_derivative)(const KineticsConditions< StateType, VectorStateType > &T, StateType &rate, StateType &drate_dT) const
Definition: arrhenius_rate.h:158
template<typename PairScalars>
void AntiochTesting::ArrheniusRateVectorTestBase< PairScalars >::test_standard_deriv ( )
inline

Definition at line 78 of file arrhenius_rate_vector_test_base.h.

79  {
80  typedef typename Antioch::value_type<PairScalars>::type Scalar;
81 
82  const Scalar tol = std::numeric_limits<Scalar>::epsilon() * 100;
83  PairScalars T = this->setup_T(*(this->_example));
84  this->test_deriv( *_rate, T, tol );
85  }
AntiochTesting::ReactionRateVectorTestBase< Antioch::ArrheniusRate< Antioch::value_type< PairScalars >::type >, PairScalars >::test_deriv
void test_deriv(const Antioch::ArrheniusRate< Antioch::value_type< PairScalars >::type > &reaction_rate, const PairScalars &T, typename Antioch::value_type< PairScalars >::typetol)
Definition: reaction_rate_vector_test_base.h:64
AntiochTesting::ArrheniusRateVectorTestBase::_rate
Antioch::ArrheniusRate< typename Antioch::value_type< PairScalars >::type > * _rate
Definition: arrhenius_rate_vector_test_base.h:98
template<typename PairScalars>
void AntiochTesting::ArrheniusRateVectorTestBase< PairScalars >::test_standard_rate ( )
inline

Definition at line 69 of file arrhenius_rate_vector_test_base.h.

70  {
71  typedef typename Antioch::value_type<PairScalars>::type Scalar;
72 
73  const Scalar tol = std::numeric_limits<Scalar>::epsilon() * 100;
74  PairScalars T = this->setup_T(*(this->_example));
75  this->test_rate( *_rate, T, tol );
76  }
AntiochTesting::ArrheniusRateVectorTestBase::_rate
Antioch::ArrheniusRate< typename Antioch::value_type< PairScalars >::type > * _rate
Definition: arrhenius_rate_vector_test_base.h:98
AntiochTesting::ReactionRateVectorTestBase< Antioch::ArrheniusRate< Antioch::value_type< PairScalars >::type >, PairScalars >::test_rate
void test_rate(const Antioch::ArrheniusRate< Antioch::value_type< PairScalars >::type > &reaction_rate, const PairScalars &T, typename Antioch::value_type< PairScalars >::typetol)
Definition: reaction_rate_vector_test_base.h:44
template<typename PairScalars>
void AntiochTesting::ArrheniusRateVectorTestBase< PairScalars >::test_standard_rate_and_deriv ( )
inline

Definition at line 87 of file arrhenius_rate_vector_test_base.h.

88  {
89  typedef typename Antioch::value_type<PairScalars>::type Scalar;
90 
91  const Scalar tol = std::numeric_limits<Scalar>::epsilon() * 100;
92  PairScalars T = this->setup_T(*(this->_example));
93  this->test_rate_and_deriv( *_rate, T, tol );
94  }
AntiochTesting::ReactionRateVectorTestBase< Antioch::ArrheniusRate< Antioch::value_type< PairScalars >::type >, PairScalars >::test_rate_and_deriv
void test_rate_and_deriv(const Antioch::ArrheniusRate< Antioch::value_type< PairScalars >::type > &reaction_rate, const PairScalars &T, typename Antioch::value_type< PairScalars >::typetol)
Definition: reaction_rate_vector_test_base.h:84
AntiochTesting::ArrheniusRateVectorTestBase::_rate
Antioch::ArrheniusRate< typename Antioch::value_type< PairScalars >::type > * _rate
Definition: arrhenius_rate_vector_test_base.h:98
Antioch::value_type< PairScalars >::type AntiochTesting::ArrheniusRateTestHelper< Antioch::value_type< PairScalars >::type >::value ( Antioch::value_type< PairScalars >::type  T)
inlineprotectedinherited

Definition at line 59 of file arrhenius_rate_test_helper.h.

Referenced by AntiochTesting::ArrheniusRateVectorTestBase< vex::vector< float > >::exact_rate().

60  {
61  using std::exp;
62  return _Cf*exp(-_Ea/(_R*T));
63  }

Member Data Documentation

Antioch::value_type< PairScalars >::type AntiochTesting::ArrheniusRateTestHelper< Antioch::value_type< PairScalars >::type >::_Cf
protectedinherited

Definition at line 44 of file arrhenius_rate_test_helper.h.

Antioch::value_type< PairScalars >::type AntiochTesting::ArrheniusRateTestHelper< Antioch::value_type< PairScalars >::type >::_Ea
protectedinherited

Definition at line 44 of file arrhenius_rate_test_helper.h.

PairScalars* AntiochTesting::ReactionRateVectorTestBase< Antioch::ArrheniusRate< Antioch::value_type< PairScalars >::type > , PairScalars >::_example
protectedinherited

Definition at line 121 of file reaction_rate_vector_test_base.h.

Referenced by AntiochTesting::ArrheniusRateVectorTestBase< vex::vector< float > >::exact_deriv(), AntiochTesting::ArrheniusRateVectorTestBase< vex::vector< float > >::exact_rate(), AntiochTesting::ArrheniusRateVectorTestBase< vex::vector< float > >::test_standard_deriv(), AntiochTesting::ArrheniusRateVectorTestBase< vex::vector< float > >::test_standard_rate(), and AntiochTesting::ArrheniusRateVectorTestBase< vex::vector< float > >::test_standard_rate_and_deriv().

Antioch::value_type< PairScalars >::type AntiochTesting::ArrheniusRateTestHelper< Antioch::value_type< PairScalars >::type >::_R
protectedinherited

Definition at line 44 of file arrhenius_rate_test_helper.h.

template<typename PairScalars>
Antioch::ArrheniusRate<typename Antioch::value_type<PairScalars>::type>* AntiochTesting::ArrheniusRateVectorTestBase< PairScalars >::_rate
protected

Definition at line 98 of file arrhenius_rate_vector_test_base.h.

Referenced by AntiochTesting::ArrheniusRateVectorTestBase< vex::vector< float > >::clear(), AntiochTesting::ArrheniusRateVectorTestBase< vex::vector< float > >::init(), AntiochTesting::ArrheniusRateVectorTestBase< vex::vector< float > >::test_standard_deriv(), AntiochTesting::ArrheniusRateVectorTestBase< vex::vector< float > >::test_standard_rate(), and AntiochTesting::ArrheniusRateVectorTestBase< vex::vector< float > >::test_standard_rate_and_deriv().

The documentation for this class was generated from the following file:
Generated on Thu Jul 7 2016 11:09:51 for antioch-0.4.0 by  doxygen 1.8.8