VanDerPolModel_impl.hpp

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// @HEADER
// ****************************************************************************
//                Tempus: Copyright (2017) Sandia Corporation
//
// Distributed under BSD 3-clause license (See accompanying file Copyright.txt)
// ****************************************************************************
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#ifndef TEMPUS_TEST_VANDERPOL_MODEL_IMPL_HPP
#define TEMPUS_TEST_VANDERPOL_MODEL_IMPL_HPP

#include "Teuchos_StandardParameterEntryValidators.hpp"

#include "Thyra_DefaultSpmdVectorSpace.hpp"
#include "Thyra_DetachedVectorView.hpp"
#include "Thyra_DetachedMultiVectorView.hpp"
#include "Thyra_DefaultSerialDenseLinearOpWithSolveFactory.hpp"
#include "Thyra_DefaultMultiVectorLinearOpWithSolve.hpp"
#include "Thyra_DefaultLinearOpSource.hpp"
#include "Thyra_VectorStdOps.hpp"

#include <iostream>


namespace Tempus_Test {

template<class Scalar>
VanDerPolModel<Scalar>::
VanDerPolModel(Teuchos::RCP<Teuchos::ParameterList> pList_)
{
  isInitialized_ = false;
  dim_ = 2;
  Np_ = 1; // Number of parameter vectors (1)
  np_ = 1; // Number of parameters in this vector (1)
  Ng_ = 0; // Number of observation functions (0)
  ng_ = 0; // Number of elements in this observation function (0)
  acceptModelParams_ = false;
  haveIC_ = true;
  epsilon_ = 1.0e-06;
  x0_ic_ = 2.0;
  x1_ic_ = 0.0;
  t0_ic_ = 0.0;

  // Create x_space and f_space
  x_space_ = Thyra::defaultSpmdVectorSpace<Scalar>(dim_);
  f_space_ = Thyra::defaultSpmdVectorSpace<Scalar>(dim_);
  // Create p_space and g_space
  p_space_ = Thyra::defaultSpmdVectorSpace<Scalar>(np_);
  g_space_ = Thyra::defaultSpmdVectorSpace<Scalar>(ng_);

  setParameterList(pList_);
}

template<class Scalar>
Thyra::ModelEvaluatorBase::InArgs<Scalar>
VanDerPolModel<Scalar>::
getExactSolution(double t) const
{
  TEUCHOS_TEST_FOR_EXCEPTION( true, std::logic_error,
      "Error - No exact solution for van der Pol problem!\n");
  return(inArgs_);
}

template<class Scalar>
Thyra::ModelEvaluatorBase::InArgs<Scalar>
VanDerPolModel<Scalar>::
getExactSensSolution(int j, double t) const
{
  TEUCHOS_TEST_FOR_EXCEPTION( !isInitialized_, std::logic_error,
      "Error - No exact sensitivities for van der Pol problem!\n");
  return(inArgs_);
}

template<class Scalar>
Teuchos::RCP<const Thyra::VectorSpaceBase<Scalar> >
VanDerPolModel<Scalar>::
get_x_space() const
{
  return x_space_;
}


template<class Scalar>
Teuchos::RCP<const Thyra::VectorSpaceBase<Scalar> >
VanDerPolModel<Scalar>::
get_f_space() const
{
  return f_space_;
}


template<class Scalar>
Thyra::ModelEvaluatorBase::InArgs<Scalar>
VanDerPolModel<Scalar>::
getNominalValues() const
{
  TEUCHOS_TEST_FOR_EXCEPTION( !isInitialized_, std::logic_error,
      "Error, setupInOutArgs_ must be called first!\n");
  return nominalValues_;
}


template<class Scalar>
Teuchos::RCP<Thyra::LinearOpWithSolveBase<Scalar> >
VanDerPolModel<Scalar>::
create_W() const
{
  using Teuchos::RCP;
  RCP<const Thyra::LinearOpWithSolveFactoryBase<Scalar> > W_factory = this->get_W_factory();
  RCP<Thyra::LinearOpBase<Scalar> > matrix = this->create_W_op();
  {
    // 01/20/09 tscoffe:  This is a total hack to provide a full rank matrix to
    // linearOpWithSolve because it ends up factoring the matrix during
    // initialization, which it really shouldn't do, or I'm doing something
    // wrong here.   The net effect is that I get exceptions thrown in
    // optimized mode due to the matrix being rank deficient unless I do this.
    RCP<Thyra::MultiVectorBase<Scalar> > multivec = Teuchos::rcp_dynamic_cast<Thyra::MultiVectorBase<Scalar> >(matrix,true);
    {
      RCP<Thyra::VectorBase<Scalar> > vec = Thyra::createMember(x_space_);
      {
        Thyra::DetachedVectorView<Scalar> vec_view( *vec );
        vec_view[0] = 0.0;
        vec_view[1] = 1.0;
      }
      V_V(multivec->col(0).ptr(),*vec);
      {
        Thyra::DetachedVectorView<Scalar> vec_view( *vec );
        vec_view[0] = 1.0;
        vec_view[1] = 0.0;
      }
      V_V(multivec->col(1).ptr(),*vec);
    }
  }
  RCP<Thyra::LinearOpWithSolveBase<Scalar> > W =
    Thyra::linearOpWithSolve<Scalar>(*W_factory, matrix);

  return W;
}


template<class Scalar>
Teuchos::RCP<Thyra::LinearOpBase<Scalar> >
VanDerPolModel<Scalar>::
create_W_op() const
{
  Teuchos::RCP<Thyra::MultiVectorBase<Scalar> > matrix = Thyra::createMembers(x_space_, dim_);
  return(matrix);
}


template<class Scalar>
Teuchos::RCP<const Thyra::LinearOpWithSolveFactoryBase<Scalar> >
VanDerPolModel<Scalar>::
get_W_factory() const
{
  Teuchos::RCP<Thyra::LinearOpWithSolveFactoryBase<Scalar> > W_factory =
    Thyra::defaultSerialDenseLinearOpWithSolveFactory<Scalar>();
  return W_factory;
}


template<class Scalar>
Thyra::ModelEvaluatorBase::InArgs<Scalar>
VanDerPolModel<Scalar>::
createInArgs() const
{
  setupInOutArgs_();
  return inArgs_;
}


// Private functions overridden from ModelEvaluatorDefaultBase


template<class Scalar>
Thyra::ModelEvaluatorBase::OutArgs<Scalar>
VanDerPolModel<Scalar>::
createOutArgsImpl() const
{
  setupInOutArgs_();
  return outArgs_;
}


template<class Scalar>
void
VanDerPolModel<Scalar>::
evalModelImpl(
  const Thyra::ModelEvaluatorBase::InArgs<Scalar> &inArgs,
  const Thyra::ModelEvaluatorBase::OutArgs<Scalar> &outArgs
  ) const
{
  using Teuchos::RCP;
  TEUCHOS_TEST_FOR_EXCEPTION( !isInitialized_, std::logic_error,
      "Error, setupInOutArgs_ must be called first!\n");

  const RCP<const Thyra::VectorBase<Scalar> > x_in =
    inArgs.get_x().assert_not_null();
  Thyra::ConstDetachedVectorView<Scalar> x_in_view( *x_in );

  //double t = inArgs.get_t();
  Scalar epsilon = epsilon_;
  if (acceptModelParams_) {
    const RCP<const Thyra::VectorBase<Scalar> > p_in =
      inArgs.get_p(0).assert_not_null();
    Thyra::ConstDetachedVectorView<Scalar> p_in_view( *p_in );
    epsilon = p_in_view[0];
  }

  Scalar beta = inArgs.get_beta();

  const RCP<Thyra::VectorBase<Scalar> > f_out = outArgs.get_f();
  const RCP<Thyra::LinearOpBase<Scalar> > W_out = outArgs.get_W_op();
  RCP<Thyra::MultiVectorBase<Scalar> > DfDp_out;
  if (acceptModelParams_) {
    Thyra::ModelEvaluatorBase::Derivative<Scalar> DfDp = outArgs.get_DfDp(0);
    DfDp_out = DfDp.getMultiVector();
  }

  if (inArgs.get_x_dot().is_null()) {

    // Evaluate the Explicit ODE f(x,t) [= xdot]
    if (!is_null(f_out)) {
      Thyra::DetachedVectorView<Scalar> f_out_view( *f_out );
      f_out_view[0] = x_in_view[1];
      f_out_view[1] =
        ((1.0-x_in_view[0]*x_in_view[0])*x_in_view[1]-x_in_view[0])/epsilon;
    }
    if (!is_null(W_out)) {
      RCP<Thyra::MultiVectorBase<Scalar> > matrix =
        Teuchos::rcp_dynamic_cast<Thyra::MultiVectorBase<Scalar> >(W_out,true);
      Thyra::DetachedMultiVectorView<Scalar> matrix_view( *matrix );
      matrix_view(0,0) = 0.0;                              // d(f0)/d(x0_n)
      matrix_view(0,1) = +beta;                            // d(f0)/d(x1_n)
      matrix_view(1,0) =
        -beta*(2.0*x_in_view[0]*x_in_view[1]+1.0)/epsilon; // d(f1)/d(x0_n)
      matrix_view(1,1) =
         beta*(1.0 - x_in_view[0]*x_in_view[0])/epsilon;   // d(f1)/d(x1_n)
      // Note: alpha = d(xdot)/d(x_n) and beta = d(x)/d(x_n)
    }
    if (!is_null(DfDp_out)) {
      Thyra::DetachedMultiVectorView<Scalar> DfDp_out_view( *DfDp_out );
      DfDp_out_view(0,0) = 0.0;
      DfDp_out_view(1,0) =
        -((1.0-x_in_view[0]*x_in_view[0])*x_in_view[1]-x_in_view[0])
           /(epsilon*epsilon);
    }
  } else {

    // Evaluate the implicit ODE f(xdot, x, t) [= 0]
    RCP<const Thyra::VectorBase<Scalar> > x_dot_in;
    x_dot_in = inArgs.get_x_dot().assert_not_null();
    Scalar alpha = inArgs.get_alpha();
    if (!is_null(f_out)) {
      Thyra::DetachedVectorView<Scalar> f_out_view( *f_out );
      Thyra::ConstDetachedVectorView<Scalar> x_dot_in_view( *x_dot_in );
      f_out_view[0] = x_dot_in_view[0] - x_in_view[1];
      f_out_view[1] = x_dot_in_view[1]
        - ((1.0-x_in_view[0]*x_in_view[0])*x_in_view[1]-x_in_view[0])/epsilon;
    }
    if (!is_null(W_out)) {
      RCP<Thyra::MultiVectorBase<Scalar> > matrix =
        Teuchos::rcp_dynamic_cast<Thyra::MultiVectorBase<Scalar> >(W_out,true);
      Thyra::DetachedMultiVectorView<Scalar> matrix_view( *matrix );
      matrix_view(0,0) = alpha;                             // d(f0)/d(x0_n)
      matrix_view(0,1) = -beta;                             // d(f0)/d(x1_n)
      matrix_view(1,0) =
          beta*(2.0*x_in_view[0]*x_in_view[1]+1.0)/epsilon; // d(f1)/d(x0_n)
      matrix_view(1,1) = alpha
        - beta*(1.0 - x_in_view[0]*x_in_view[0])/epsilon;   // d(f1)/d(x1_n)
      // Note: alpha = d(xdot)/d(x_n) and beta = d(x)/d(x_n)
    }
    if (!is_null(DfDp_out)) {
      Thyra::DetachedMultiVectorView<Scalar> DfDp_out_view( *DfDp_out );
      DfDp_out_view(0,0) = 0.0;
      DfDp_out_view(1,0) =
        ((1.0-x_in_view[0]*x_in_view[0])*x_in_view[1]-x_in_view[0])
          /(epsilon*epsilon);
    }
  }
}

template<class Scalar>
Teuchos::RCP<const Thyra::VectorSpaceBase<Scalar> >
VanDerPolModel<Scalar>::
get_p_space(int l) const
{
  if (!acceptModelParams_) {
    return Teuchos::null;
  }
  TEUCHOS_ASSERT_IN_RANGE_UPPER_EXCLUSIVE( l, 0, Np_ );
  return p_space_;
}

template<class Scalar>
Teuchos::RCP<const Teuchos::Array<std::string> >
VanDerPolModel<Scalar>::
get_p_names(int l) const
{
  if (!acceptModelParams_) {
    return Teuchos::null;
  }
  TEUCHOS_ASSERT_IN_RANGE_UPPER_EXCLUSIVE( l, 0, Np_ );
  Teuchos::RCP<Teuchos::Array<std::string> > p_strings =
    Teuchos::rcp(new Teuchos::Array<std::string>());
  p_strings->push_back("Model Coefficient:  epsilon");
  return p_strings;
}

template<class Scalar>
Teuchos::RCP<const Thyra::VectorSpaceBase<Scalar> >
VanDerPolModel<Scalar>::
get_g_space(int j) const
{
  TEUCHOS_ASSERT_IN_RANGE_UPPER_EXCLUSIVE( j, 0, Ng_ );
  return g_space_;
}

// private

template<class Scalar>
void
VanDerPolModel<Scalar>::
setupInOutArgs_() const
{
  if (isInitialized_) {
    return;
  }

  {
    // Set up prototypical InArgs
    Thyra::ModelEvaluatorBase::InArgsSetup<Scalar> inArgs;
    inArgs.setModelEvalDescription(this->description());
    inArgs.setSupports( Thyra::ModelEvaluatorBase::IN_ARG_t );
    inArgs.setSupports( Thyra::ModelEvaluatorBase::IN_ARG_x );
    inArgs.setSupports( Thyra::ModelEvaluatorBase::IN_ARG_beta );
    inArgs.setSupports( Thyra::ModelEvaluatorBase::IN_ARG_x_dot );
    inArgs.setSupports( Thyra::ModelEvaluatorBase::IN_ARG_alpha );
    if (acceptModelParams_) {
      inArgs.set_Np(Np_);
    }
    inArgs_ = inArgs;
  }

  {
    // Set up prototypical OutArgs
    Thyra::ModelEvaluatorBase::OutArgsSetup<Scalar> outArgs;
    outArgs.setModelEvalDescription(this->description());
    outArgs.setSupports( Thyra::ModelEvaluatorBase::OUT_ARG_f );
    outArgs.setSupports( Thyra::ModelEvaluatorBase::OUT_ARG_W_op );
    if (acceptModelParams_) {
      outArgs.set_Np_Ng(Np_,Ng_);
      outArgs.setSupports( Thyra::ModelEvaluatorBase::OUT_ARG_DfDp,0,
                           Thyra::ModelEvaluatorBase::DERIV_MV_BY_COL );
    }
    outArgs_ = outArgs;
  }

  // Set up nominal values
  nominalValues_ = inArgs_;
  if (haveIC_)
  {
    using Teuchos::RCP;
    nominalValues_.set_t(t0_ic_);
    const RCP<Thyra::VectorBase<Scalar> > x_ic = createMember(x_space_);
    { // scope to delete DetachedVectorView
      Thyra::DetachedVectorView<Scalar> x_ic_view( *x_ic );
      x_ic_view[0] = x0_ic_;
      x_ic_view[1] = x1_ic_;
    }
    nominalValues_.set_x(x_ic);
    if (acceptModelParams_) {
      const RCP<Thyra::VectorBase<Scalar> > p_ic = createMember(p_space_);
      {
        Thyra::DetachedVectorView<Scalar> p_ic_view( *p_ic );
        p_ic_view[0] = epsilon_;
      }
      nominalValues_.set_p(0,p_ic);
    }
    const RCP<Thyra::VectorBase<Scalar> > x_dot_ic = createMember(x_space_);
    { // scope to delete DetachedVectorView
      Thyra::DetachedVectorView<Scalar> x_dot_ic_view( *x_dot_ic );
      x_dot_ic_view[0] = x1_ic_;
      x_dot_ic_view[1] = ((1.0-x0_ic_*x0_ic_)*x1_ic_-x0_ic_)/epsilon_;
    }
    nominalValues_.set_x_dot(x_dot_ic);
  }

  isInitialized_ = true;

}

template<class Scalar>
void
VanDerPolModel<Scalar>::
setParameterList(Teuchos::RCP<Teuchos::ParameterList> const& paramList)
{
  using Teuchos::get;
  using Teuchos::ParameterList;
  Teuchos::RCP<ParameterList> tmpPL = Teuchos::rcp(new ParameterList("VanDerPolModel"));
  if (paramList != Teuchos::null) tmpPL = paramList;
  tmpPL->validateParametersAndSetDefaults(*this->getValidParameters());
  this->setMyParamList(tmpPL);
  Teuchos::RCP<ParameterList> pl = this->getMyNonconstParamList();
  bool acceptModelParams = get<bool>(*pl,"Accept model parameters");
  bool haveIC = get<bool>(*pl,"Provide nominal values");
  if ( (acceptModelParams != acceptModelParams_) ||
       (haveIC != haveIC_)
     ) {
    isInitialized_ = false;
  }
  acceptModelParams_ = acceptModelParams;
  haveIC_ = haveIC;
  epsilon_ = get<Scalar>(*pl,"Coeff epsilon");
  x0_ic_ = get<Scalar>(*pl,"IC x0");
  x1_ic_ = get<Scalar>(*pl,"IC x1");
  t0_ic_ = get<Scalar>(*pl,"IC t0");
  setupInOutArgs_();
}

template<class Scalar>
Teuchos::RCP<const Teuchos::ParameterList>
VanDerPolModel<Scalar>::
getValidParameters() const
{
  static Teuchos::RCP<const Teuchos::ParameterList> validPL;
  if (is_null(validPL)) {
    Teuchos::RCP<Teuchos::ParameterList> pl = Teuchos::parameterList();
    pl->set("Accept model parameters", false);
    pl->set("Provide nominal values", true);
    Teuchos::setDoubleParameter(
        "Coeff epsilon", 1.0e-06, "Coefficient a in model", &*pl);
    Teuchos::setDoubleParameter(
        "IC x0", 2.0, "Initial Condition for x0", &*pl);
    Teuchos::setDoubleParameter(
        "IC x1", 0.0, "Initial Condition for x1", &*pl);
    Teuchos::setDoubleParameter(
        "IC t0", 0.0, "Initial time t0", &*pl);
    Teuchos::setIntParameter(
        "Number of Time Step Sizes", 1, "Number time step sizes for convergence study", &*pl);  
    validPL = pl;
  }
  return validPL;
}

} // namespace Tempus_Test
#endif // TEMPUS_TEST_VANDERPOL_MODEL_IMPL_HPP