arrhenius_rate_test.C

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//-----------------------------------------------------------------------bl-
//--------------------------------------------------------------------------
//
// Antioch - A Gas Dynamics Thermochemistry Library
//
// Copyright (C) 2014-2016 Paul T. Bauman, Benjamin S. Kirk,
//                         Sylvain Plessis, Roy H. Stonger
//
// Copyright (C) 2013 The PECOS Development Team
//
// This library is free software; you can redistribute it and/or
// modify it under the terms of the Version 2.1 GNU Lesser General
// Public License as published by the Free Software Foundation.
//
// This library is distributed in the hope that it will be useful,
// but WITHOUT ANY WARRANTY; without even the implied warranty of
// MERCHANTABILITY or FITNESS FOR A PARTICULAR PURPOSE. See the GNU
// Lesser General Public License for more details.
//
// You should have received a copy of the GNU Lesser General Public
// License along with this library; if not, write to the Free Software
// Foundation, Inc. 51 Franklin Street, Fifth Floor,
// Boston, MA  02110-1301  USA
//
//-----------------------------------------------------------------------el-

#include "antioch_config.h"

#ifdef ANTIOCH_HAVE_CPPUNIT

// C++
#include <limits>

// Antioch
#include "antioch/physical_constants.h"
#include "antioch/units.h"

// Base class
#include "arrhenius_rate_test_helper.h"
#include "reaction_rate_test_base.h"

namespace AntiochTesting
{
  template<typename Scalar>
  class ArrheniusRateTest : public ArrheniusRateTestHelper<Scalar>,
                            public ReactionRateTestBase<Antioch::ArrheniusRate<Scalar>,Scalar>
  {
  public:
    void setUp()
    {
      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 tearDown()
    {
      delete _rate;
    }

    void test_standard()
    {
      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 test_reset_scalar_params()
    {
      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 test_reset_vector_params2()
    {
      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 test_reset_vector_params3()
    {
      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 );
    }

  protected:

    Antioch::ArrheniusRate<Scalar>* _rate;

    virtual Scalar exact_rate( Scalar T )
    {
      return this->value(T);
    }

    virtual Scalar exact_deriv( Scalar T )
    {
      return this->deriv(T);
    }

  };

  class ArrheniusRateFloatTest : public ArrheniusRateTest<float>
  {
  public:
    CPPUNIT_TEST_SUITE( ArrheniusRateFloatTest );

    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();
  };

  class ArrheniusRateDoubleTest : public ArrheniusRateTest<double>
  {
  public:
    CPPUNIT_TEST_SUITE( ArrheniusRateDoubleTest );

    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();
  };

  class ArrheniusRateLongDoubleTest : public ArrheniusRateTest<long double>
  {
  public:
    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();
  };

  CPPUNIT_TEST_SUITE_REGISTRATION( ArrheniusRateFloatTest );
  CPPUNIT_TEST_SUITE_REGISTRATION( ArrheniusRateDoubleTest );
  CPPUNIT_TEST_SUITE_REGISTRATION( ArrheniusRateLongDoubleTest );

} // end namespace AntiochTesting

#endif // ANTIOCH_HAVE_CPPUNIT