AntiochTesting::ArrheniusRateLongDoubleTest Class Reference

Inheritance diagram for AntiochTesting::ArrheniusRateLongDoubleTest:

Public Member Functions
	CPPUNIT_TEST_SUITE (ArrheniusRateLongDoubleTest)
	CPPUNIT_TEST (test_standard)
	CPPUNIT_TEST (test_reset_scalar_params)
	CPPUNIT_TEST (test_reset_vector_params2)
	CPPUNIT_TEST (test_reset_vector_params3)
	CPPUNIT_TEST_SUITE_END ()
void	setUp ()
void	tearDown ()
void	test_standard ()
void	test_reset_scalar_params ()
void	test_reset_vector_params2 ()
void	test_reset_vector_params3 ()
void	test_rate (const Antioch::ArrheniusRate< long double > &reaction_rate, long doubletol)
void	test_deriv (const Antioch::ArrheniusRate< long double > &reaction_rate, long doubletol)
void	test_rate_and_deriv (const Antioch::ArrheniusRate< long double > &reaction_rate, long doubletol)

Protected Member Functions
virtual long double	exact_rate (long doubleT)
virtual long double	exact_deriv (long doubleT)
void	reset_params (long doubleCf, long doubleEa)
void	reset_params (long doubleCf, long doubleEa, long doubleR)
long double	value (long doubleT)
long double	deriv (long doubleT)

Protected Attributes
Antioch::ArrheniusRate< long double > *	_rate
long double	_Cf
long double	_Ea
long double	_R

Detailed Description

Definition at line 174 of file arrhenius_rate_test.C.

Member Function Documentation

AntiochTesting::ArrheniusRateLongDoubleTest::CPPUNIT_TEST

(

test_standard

)

AntiochTesting::ArrheniusRateLongDoubleTest::CPPUNIT_TEST

(

test_reset_scalar_params

)

AntiochTesting::ArrheniusRateLongDoubleTest::CPPUNIT_TEST

(

test_reset_vector_params2

)

AntiochTesting::ArrheniusRateLongDoubleTest::CPPUNIT_TEST

(

test_reset_vector_params3

)

AntiochTesting::ArrheniusRateLongDoubleTest::CPPUNIT_TEST_SUITE

(

ArrheniusRateLongDoubleTest

)

AntiochTesting::ArrheniusRateLongDoubleTest::CPPUNIT_TEST_SUITE_END

(

)

long double AntiochTesting::ArrheniusRateTestHelper< long double >::deriv ( long double  T )

inlineprotectedinherited

Definition at line 65 of file arrhenius_rate_test_helper.h.

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

virtual long double AntiochTesting::ArrheniusRateTest< long double >::exact_deriv ( long double  T )

inlineprotectedvirtualinherited

Implements AntiochTesting::ReactionRateTestBase< Antioch::ArrheniusRate< long double >, long double >.

Definition at line 141 of file arrhenius_rate_test.C.

References AntiochTesting::ArrheniusRateTestHelper< Scalar >::deriv().

    {
      return this->deriv(T);
    }

virtual long double AntiochTesting::ArrheniusRateTest< long double >::exact_rate ( long double  T )

inlineprotectedvirtualinherited

Implements AntiochTesting::ReactionRateTestBase< Antioch::ArrheniusRate< long double >, long double >.

Definition at line 136 of file arrhenius_rate_test.C.

References AntiochTesting::ArrheniusRateTestHelper< Scalar >::value().

    {
      return this->value(T);
    }

void AntiochTesting::ArrheniusRateTestHelper< long double >::reset_params ( long double  Cf, long double  Ea  )

inlineprotectedinherited

Definition at line 46 of file arrhenius_rate_test_helper.h.

    {
      _Cf = Cf;
      _Ea = Ea;
    }

void AntiochTesting::ArrheniusRateTestHelper< long double >::reset_params ( long double  Cf, long double  Ea, long double  R  )

inlineprotectedinherited

Definition at line 52 of file arrhenius_rate_test_helper.h.

    {
      _Cf = Cf;
      _Ea = Ea;
      _R = R;
    }

void AntiochTesting::ArrheniusRateTest< long double >::setUp ( )

inlineinherited

Definition at line 49 of file arrhenius_rate_test.C.

References AntiochTesting::ArrheniusRateTest< Scalar >::_rate, and AntiochTesting::ArrheniusRateTestHelper< Scalar >::reset_params().

    {
      Scalar Cf = 1.4L;
      Scalar Ea = 298.0L;
      Scalar R = 1.0L; // Ea in K

      this->reset_params(Cf,Ea,R);
      _rate = new Antioch::ArrheniusRate<Scalar>(Cf,Ea,R);
    }

void AntiochTesting::ArrheniusRateTest< long double >::tearDown ( )

inlineinherited

Definition at line 59 of file arrhenius_rate_test.C.

References AntiochTesting::ArrheniusRateTest< Scalar >::_rate.

    {
      delete _rate;
    }

void AntiochTesting::ReactionRateTestBase< Antioch::ArrheniusRate< long double > , long double >::test_deriv ( const Antioch::ArrheniusRate< long double > &  reaction_rate, long double  tol  )

inlineinherited

Definition at line 70 of file reaction_rate_test_base.h.

    {
      for(Scalar T = 300.1; T <= 2500.1; T += 10.)
        {
          {
            Scalar deriv = reaction_rate.derivative(T);
            Scalar exact_deriv = this->exact_deriv(T);

            CPPUNIT_ASSERT_DOUBLES_EQUAL( deriv,
                                          exact_deriv,
                                          tol );
          }

          {
            Antioch::KineticsConditions<Scalar> cond(T);
            Scalar deriv = reaction_rate.derivative(cond);
            Scalar exact_deriv = this->exact_deriv(T);

            CPPUNIT_ASSERT_DOUBLES_EQUAL( deriv,
                                          exact_deriv,
                                          tol );
          }
        }
    }

void AntiochTesting::ReactionRateTestBase< Antioch::ArrheniusRate< long double > , long double >::test_rate ( const Antioch::ArrheniusRate< long double > &  reaction_rate, long double  tol  )

inlineinherited

Definition at line 43 of file reaction_rate_test_base.h.

    {
      for(Scalar T = 300.1; T <= 2500.1; T += 10.)
        {
          {
            Scalar rate = reaction_rate(T);
            Scalar exact_rate = this->exact_rate(T);

            CPPUNIT_ASSERT_DOUBLES_EQUAL( rate,
                                          exact_rate,
                                          tol );
          }

          {
            Antioch::KineticsConditions<Scalar> cond(T);
            Scalar rate = reaction_rate(cond);
            Scalar exact_rate = this->exact_rate(T);

            CPPUNIT_ASSERT_DOUBLES_EQUAL( rate,
                                          exact_rate,
                                          tol );
          }

        }
    }

void AntiochTesting::ReactionRateTestBase< Antioch::ArrheniusRate< long double > , long double >::test_rate_and_deriv ( const Antioch::ArrheniusRate< long double > &  reaction_rate, long double  tol  )

inlineinherited

Definition at line 96 of file reaction_rate_test_base.h.

    {
      for(Scalar T = 300.1; T <= 2500.1; T += 10.)
        {
          {
            Scalar rate;
            Scalar deriv;
            Antioch::KineticsConditions<Scalar> cond(T);

            reaction_rate.rate_and_derivative(cond,rate,deriv);

            Scalar exact_rate = this->exact_rate(T);
            Scalar exact_deriv = this->exact_deriv(T);

            CPPUNIT_ASSERT_DOUBLES_EQUAL( rate,
                                          exact_rate,
                                          tol );

            CPPUNIT_ASSERT_DOUBLES_EQUAL( deriv,
                                          exact_deriv,
                                          tol );
          }
        }
    }

void AntiochTesting::ArrheniusRateTest< long double >::test_reset_scalar_params ( )

inlineinherited

Definition at line 73 of file arrhenius_rate_test.C.

References AntiochTesting::ArrheniusRateTest< Scalar >::_rate, Antioch::Units< T >::get_SI_factor(), AntiochTesting::ArrheniusRateTestHelper< Scalar >::reset_params(), Antioch::ArrheniusRate< CoeffType >::set_Cf(), Antioch::ArrheniusRate< CoeffType >::set_Ea(), Antioch::ArrheniusRate< CoeffType >::set_rscale(), AntiochTesting::ReactionRateTestBase< Antioch::ArrheniusRate< Scalar >, Scalar >::test_deriv(), AntiochTesting::ReactionRateTestBase< Antioch::ArrheniusRate< Scalar >, Scalar >::test_rate(), and AntiochTesting::ReactionRateTestBase< Antioch::ArrheniusRate< Scalar >, Scalar >::test_rate_and_deriv().

    {
      Scalar Cf = 1e-7L;
      Scalar Ea = 36000.L;
      Scalar R = Antioch::Constants::R_universal<Scalar>()*Antioch::Units<Scalar>("cal").get_SI_factor();

      this->reset_params( Cf, Ea, R );

      _rate->set_Cf(Cf);
      _rate->set_Ea(Ea);
      _rate->set_rscale(R);

      const Scalar tol = std::numeric_limits<Scalar>::epsilon() * 100;

      this->test_rate( *_rate, tol );
      this->test_deriv( *_rate, tol );
      this->test_rate_and_deriv( *_rate, tol );
    }

void AntiochTesting::ArrheniusRateTest< long double >::test_reset_vector_params2 ( )

inlineinherited

Definition at line 92 of file arrhenius_rate_test.C.

References AntiochTesting::ArrheniusRateTest< Scalar >::_rate, Antioch::ArrheniusRate< CoeffType >::reset_coefs(), AntiochTesting::ArrheniusRateTestHelper< Scalar >::reset_params(), AntiochTesting::ReactionRateTestBase< Antioch::ArrheniusRate< Scalar >, Scalar >::test_deriv(), AntiochTesting::ReactionRateTestBase< Antioch::ArrheniusRate< Scalar >, Scalar >::test_rate(), and AntiochTesting::ReactionRateTestBase< Antioch::ArrheniusRate< Scalar >, Scalar >::test_rate_and_deriv().

    {
      Scalar Cf = 2.5e-7L;
      Scalar Ea = 43000.L; //still in cal

      this->reset_params( Cf, Ea );

      std::vector<Scalar> values(2);
      values[0] = Cf;
      values[1] = Ea;
      _rate->reset_coefs(values);

      const Scalar tol = std::numeric_limits<Scalar>::epsilon() * 100;

      this->test_rate( *_rate, tol );
      this->test_deriv( *_rate, tol );
      this->test_rate_and_deriv( *_rate, tol );
    }

void AntiochTesting::ArrheniusRateTest< long double >::test_reset_vector_params3 ( )

inlineinherited

Definition at line 111 of file arrhenius_rate_test.C.

References AntiochTesting::ArrheniusRateTest< Scalar >::_rate, Antioch::ArrheniusRate< CoeffType >::reset_coefs(), AntiochTesting::ArrheniusRateTestHelper< Scalar >::reset_params(), AntiochTesting::ReactionRateTestBase< Antioch::ArrheniusRate< Scalar >, Scalar >::test_deriv(), AntiochTesting::ReactionRateTestBase< Antioch::ArrheniusRate< Scalar >, Scalar >::test_rate(), and AntiochTesting::ReactionRateTestBase< Antioch::ArrheniusRate< Scalar >, Scalar >::test_rate_and_deriv().

    {
      Scalar Cf = 2.1e-11L;
      Scalar Ea = 100000.L;
      Scalar R = Antioch::Constants::R_universal<Scalar>();

      this->reset_params( Cf, Ea, R );

      std::vector<Scalar> values(3);
      values[0] = Cf;
      values[1] = Ea;
      values[2] = R;
      _rate->reset_coefs(values);

      const Scalar tol = std::numeric_limits<Scalar>::epsilon() * 100;

      this->test_rate( *_rate, tol );
      this->test_deriv( *_rate, tol );
      this->test_rate_and_deriv( *_rate, tol );
    }

void AntiochTesting::ArrheniusRateTest< long double >::test_standard ( )

inlineinherited

Definition at line 64 of file arrhenius_rate_test.C.

References AntiochTesting::ArrheniusRateTest< Scalar >::_rate, AntiochTesting::ReactionRateTestBase< Antioch::ArrheniusRate< Scalar >, Scalar >::test_deriv(), AntiochTesting::ReactionRateTestBase< Antioch::ArrheniusRate< Scalar >, Scalar >::test_rate(), and AntiochTesting::ReactionRateTestBase< Antioch::ArrheniusRate< Scalar >, Scalar >::test_rate_and_deriv().

    {
      const Scalar tol = std::numeric_limits<Scalar>::epsilon() * 100;

      this->test_rate( *_rate, tol );
      this->test_deriv( *_rate, tol );
      this->test_rate_and_deriv( *_rate, tol );
    }

long double AntiochTesting::ArrheniusRateTestHelper< long double >::value ( long double  T )

inlineprotectedinherited

Definition at line 59 of file arrhenius_rate_test_helper.h.

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

Member Data Documentation

long double AntiochTesting::ArrheniusRateTestHelper< long double >::_Cf

protectedinherited

Definition at line 44 of file arrhenius_rate_test_helper.h.

long double AntiochTesting::ArrheniusRateTestHelper< long double >::_Ea

protectedinherited

Definition at line 44 of file arrhenius_rate_test_helper.h.

long double AntiochTesting::ArrheniusRateTestHelper< long double >::_R

protectedinherited

Definition at line 44 of file arrhenius_rate_test_helper.h.

Antioch::ArrheniusRate<long double >* AntiochTesting::ArrheniusRateTest< long double >::_rate

protectedinherited

Definition at line 134 of file arrhenius_rate_test.C.

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The documentation for this class was generated from the following file:

• test/standard_unit/arrhenius_rate_test.C