File: auto_derivative_function.h

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// ------------------------------------------------------------------------
//
// SPDX-License-Identifier: LGPL-2.1-or-later
// Copyright (C) 2001 - 2023 by the deal.II authors
//
// This file is part of the deal.II library.
//
// Part of the source code is dual licensed under Apache-2.0 WITH
// LLVM-exception OR LGPL-2.1-or-later. Detailed license information
// governing the source code and code contributions can be found in
// LICENSE.md and CONTRIBUTING.md at the top level directory of deal.II.
//
// ------------------------------------------------------------------------

#ifndef dealii_auto_derivative_function_h
#define dealii_auto_derivative_function_h


#include <deal.II/base/config.h>

#include <deal.II/base/exceptions.h>
#include <deal.II/base/function.h>

DEAL_II_NAMESPACE_OPEN

/**
 * This class automatically computes the gradient of a function by employing
 * numerical difference quotients. This only, if the user function does not
 * provide the gradient function himself.
 *
 * The following example of an user defined function overloads and implements
 * only the value() function but not the gradient() function. If the
 * gradient() function is invoked then the gradient function implemented by
 * the AutoDerivativeFunction is called, where the latter function employs
 * numerical difference quotients.
 *
 * @code
 * class UserFunction: public AutoDerivativeFunction
 * {
 *   // access to one component at one point
 *   double value (const Point<dim>   &p,
 *                 const unsigned int component = 0) const override
 *   {
 *     // Implementation ....
 *   };
 * };
 *
 * UserFunction user_function;
 *
 * // gradient by employing difference quotients.
 * Tensor<1,dim> grad=user_function.gradient(some_point);
 * @endcode
 *
 * If the user overloads and implements also the gradient function, then, of
 * course, the users gradient function is called.
 *
 * Note, that the usage of the value() and gradient() functions explained
 * above, also applies to the value_list() and gradient_list() functions as
 * well as to the vector valued versions of these functions, see e.g.
 * vector_value(), vector_gradient(), vector_value_list() and
 * vector_gradient_list().
 *
 * The gradient() and gradient_list() functions make use of the
 * Function::value() function. The vector_gradient() and
 * vector_gradient_list() make use of the Function::vector_value() function.
 * Make sure that the user defined function implements the value() function
 * and the vector_value() function, respectively.
 *
 * Furthermore note, that an object of this class does <b>not</b> represent
 * the derivative of a function, like FunctionDerivative, that gives a
 * directional derivative by calling the value() function. In fact, this class
 * (the AutoDerivativeFunction class) can substitute the Function class as
 * base class for user defined classes. This class implements the gradient()
 * functions for automatic computation of numerical difference quotients and
 * serves as intermediate class between the base Function class and the user
 * defined function class.
 *
 * @ingroup functions
 */
template <int dim>
class AutoDerivativeFunction : public Function<dim>
{
public:
  /**
   * Names of difference formulas.
   */
  enum DifferenceFormula
  {
    /**
     * The symmetric Euler formula of second order:
     * @f[
     * u'(t) \approx
     * \frac{u(t+h) -
     * u(t-h)}{2h}.
     * @f]
     */
    Euler,
    /**
     * The upwind Euler formula of first order:
     * @f[
     * u'(t) \approx
     * \frac{u(t) -
     * u(t-h)}{h}.
     * @f]
     */
    UpwindEuler,
    /**
     * The fourth order scheme
     * @f[
     * u'(t) \approx
     * \frac{u(t-2h) - 8u(t-h)
     * +  8u(t+h) - u(t+2h)}{12h}.
     * @f]
     */
    FourthOrder
  };

  /**
   * Constructor. Takes the difference step size <tt>h</tt>. It's within the
   * user's responsibility to choose an appropriate value here. <tt>h</tt>
   * should be chosen taking into account the absolute value as well as the
   * amount of local variation of the function. Setting <tt>h=1e-6</tt> might
   * be a good choice for functions with an absolute value of about 1, that
   * furthermore does not vary to much.
   *
   * <tt>h</tt> can be changed later using the set_h() function.
   *
   * Sets DifferenceFormula <tt>formula</tt> to the default <tt>Euler</tt>
   * formula of the set_formula() function. Change this preset formula by
   * calling the set_formula() function.
   */
  AutoDerivativeFunction(const double       h,
                         const unsigned int n_components = 1,
                         const double       initial_time = 0.0);

  /**
   * Virtual destructor; absolutely necessary in this case.
   */
  virtual ~AutoDerivativeFunction() override = default;

  /**
   * Choose the difference formula. See the enum #DifferenceFormula for
   * available choices.
   */
  void
  set_formula(const DifferenceFormula formula = Euler);

  /**
   * Takes the difference step size <tt>h</tt>. It's within the user's
   * responsibility to choose an appropriate value here. <tt>h</tt> should be
   * chosen taking into account the absolute value of as well as the amount of
   * local variation of the function. Setting <tt>h=1e-6</tt> might be a good
   * choice for functions with an absolute value of about 1, that furthermore
   * does not vary to much.
   */
  void
  set_h(const double h);

  /**
   * Return the gradient of the specified component of the function at the
   * given point.
   *
   * Compute numerical difference quotients using the preset
   * #DifferenceFormula.
   */
  virtual Tensor<1, dim>
  gradient(const Point<dim>  &p,
           const unsigned int component = 0) const override;

  /**
   * Return the gradient of all components of the function at the given point.
   *
   * Compute numerical difference quotients using the preset
   * #DifferenceFormula.
   */
  virtual void
  vector_gradient(const Point<dim>            &p,
                  std::vector<Tensor<1, dim>> &gradients) const override;

  /**
   * Set <tt>gradients</tt> to the gradients of the specified component of the
   * function at the <tt>points</tt>.  It is assumed that <tt>gradients</tt>
   * already has the right size, i.e.  the same size as the <tt>points</tt>
   * array.
   *
   * Compute numerical difference quotients using the preset
   * #DifferenceFormula.
   */
  virtual void
  gradient_list(const std::vector<Point<dim>> &points,
                std::vector<Tensor<1, dim>>   &gradients,
                const unsigned int             component = 0) const override;

  /**
   * Set <tt>gradients</tt> to the gradients of the function at the
   * <tt>points</tt>, for all components. It is assumed that
   * <tt>gradients</tt> already has the right size, i.e. the same size as the
   * <tt>points</tt> array.
   *
   * The outer loop over <tt>gradients</tt> is over the points in the list,
   * the inner loop over the different components of the function.
   *
   * Compute numerical difference quotients using the preset
   * #DifferenceFormula.
   */
  virtual void
  vector_gradient_list(
    const std::vector<Point<dim>>            &points,
    std::vector<std::vector<Tensor<1, dim>>> &gradients) const override;

  /**
   * Return a #DifferenceFormula of the order <tt>ord</tt> at minimum.
   */
  static DifferenceFormula
  get_formula_of_order(const unsigned int ord);


private:
  /**
   * Step size of the difference formula. Set by the set_h() function.
   */
  double h;

  /**
   * Includes the unit vectors scaled by <tt>h</tt>.
   */
  std::vector<Tensor<1, dim>> ht;

  /**
   * Difference formula. Set by the set_formula() function.
   */
  DifferenceFormula formula;
};


DEAL_II_NAMESPACE_CLOSE

#endif