OneDimLinearSpline.h

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//////////////////////////////////////////////////////////////////////////////////////
// This file is distributed under the University of Illinois/NCSA Open Source License.
// See LICENSE file in top directory for details.
//
// Copyright (c) 2016 Jeongnim Kim and QMCPACK developers.
//
// File developed by: Jeongnim Kim, jeongnim.kim@gmail.com, University of Illinois at Urbana-Champaign
//                    Jeremy McMinnis, jmcminis@gmail.com, University of Illinois at Urbana-Champaign
//                    Mark A. Berrill, berrillma@ornl.gov, Oak Ridge National Laboratory
//
// File created by: Jeongnim Kim, jeongnim.kim@gmail.com, University of Illinois at Urbana-Champaign
//////////////////////////////////////////////////////////////////////////////////////


#ifndef QMCPLUSPLUS_GRID_FUNCTOR_LINEAR_SPLINE_H
#define QMCPLUSPLUS_GRID_FUNCTOR_LINEAR_SPLINE_H

#include "Numerics/OneDimGridFunctor.h"
//#define USE_MEMORYSAVEMODE

namespace qmcplusplus
{
/** Perform One-Dimensional linear spline Interpolation.
 *
 * Only valid with linear grid.
 * @todo Have to prevent OneDimLinearSpline<T> being used with other than
 * linear grid!!
 */
template<class Td, class Tg = Td, class CTd = Vector<Td>, class CTg = Vector<Tg>>
class OneDimLinearSpline : public OneDimGridFunctor<Td, Tg, CTd, CTg>
{
public:
  using base_type  = OneDimGridFunctor<Td, Tg, CTd, CTg>;
  using value_type = typename base_type::value_type;
  using point_type = typename base_type::point_type;
  using data_type  = typename base_type::data_type;
  using grid_type  = typename base_type::grid_type;

  using base_type::d2Y;
  using base_type::dY;
  using base_type::GridManager;
  using base_type::m_grid;
  using base_type::m_Y;
  using base_type::Y;
  //using base_type::FirstAddress;

  int First;
  int Last;
  value_type ConstValue;
  point_type r_min;
  point_type r_max;
  point_type delta;
  point_type delta_inv;
  data_type m_Y1;

  OneDimLinearSpline(const grid_type* gt = 0) : base_type(gt), r_min(0), r_max(0)
  {
    if (gt)
    {
      r_min = gt->rmin();
      r_max = gt->rmax();
    }
  }

  OneDimLinearSpline(point_type ri, point_type rf) : base_type(0), r_min(ri), r_max(rf) {}

  template<class VV>
  OneDimLinearSpline(grid_type* gt, const VV& nv, bool pbc = false) : base_type(gt)
  {
    if (gt)
    {
      r_min = gt->rmin();
      r_max = gt->rmax();
    }
    assign(nv.begin(), nv.end());
  }

  OneDimLinearSpline<Td, Tg, CTd, CTg>* makeClone() const { return new OneDimLinearSpline<Td, Tg, CTd, CTg>(*this); }

  template<class IT>
  void assign(IT d_first, IT d_last)
  {
    m_Y.resize(d_last - d_first);
    copy(d_first, d_last, m_Y.data());
    delta = (r_max - r_min) / static_cast<point_type>(m_Y.size() - 1);
    //r_min=m_grid->rmin();
    //r_max=m_grid->rmax();
    //delta=m_grid->dh();
    delta_inv = 1.0 / delta;
  }


  inline point_type rmax() const { return r_max; }

  /** evaluate the value at r
   * @param r value on a grid
   * @return value obtained by cubic-spline
   *
   * Performance may be tunned: define USE_MEMORYSAVEMODE
   * to evaluate the coefficients instead of using aux. arrays
   */
  inline value_type splint(point_type r) const override
  {
    if (r >= r_max)
      return ConstValue;
    int k = static_cast<int>((r - r_min) * delta_inv);
#if defined(USE_MEMORYSAVEMODE)
    return m_Y[k] + (m_Y[k + 1] - m_Y[k]) * (r * delta_inv - k);
#else
    return m_Y[k] + m_Y1[k] * (r - (*m_grid)[k]);
#endif
  }

  //template<class IT1, class IT2>
  //void assign(IT1 g_first, IT1 g_last, IT2 d_first, IT2 d_last)
  //{
  //  if(m_grid ==0)
  //  {
  //    NumericalGrid<Td> *agrid=new NumericalGrid<Td>;
  //    agrid->assign(g_first,g_last);
  //    m_grid=agrid;
  //  }
  //  assign(d_first,d_last);
  //}


  //  /** evaluate the value at r using a binary search on a grid
  //   * @param r distance
  //   */
  //  inline value_type splintNG(point_type r) const
  //  {
  //    if(r>=r_max) return ConstValue;
  //    int k=m_grid->getIndex(r);
  //    //int k = static_cast<int>((r-r_min)*delta_inv);
  //#if defined(USE_MEMORYSAVEMODE)
  //    return m_Y[k]+(m_Y[k+1]-m_Y[k])*(r*delta_inv-k);
  //#else
  //    return m_Y[k]+m_Y1[k]*(r-(*m_grid)[k]);
  //#endif
  //  }

  /** evaluate the index and the linear coefficient
   * @param r distance
   * @param k return index
   * @param rfrac (r-floor(r/delta))/delta
   */
  inline void locate(point_type r, int& k, point_type& rfrac)
  {
    k     = static_cast<int>((r - r_min) * delta_inv);
    rfrac = r * delta_inv - k;
  }

  /** evaluate the value at r=(k + rfrac)*delta
   */
  inline value_type f(int k, point_type rfrac) { return m_Y[k] * (1.0 - rfrac) + m_Y[k + 1] * rfrac; }

  /** evaluate the value at r
   * @param r value on a grid
   * @param du first derivative (assigned)
   * @param d2u second derivative (assigned)
   * @return value obtained by cubic-spline
   */
  inline value_type splint(point_type r, value_type& du, value_type& d2u) const override
  {
    std::cerr << "  OneDimLinearSpline cannot be used for derivates." << std::endl;
    return 0.0;
  }

  /** evaluate the spline coefficients
   * @param imin index of the first valid grid
   * @param yp1 first derivative at imin grid point
   * @param imax index of the last valid grid
   * @param ypn first derivative at imax grid point
   *
   */
  inline void spline(int imin, value_type yp1, int imax, value_type ypn)
  {
    int npts(imax - imin + 1);
    First = imin;
    Last  = imax;
    m_Y1.resize(npts);
    //r_min=m_grid->r(imin);
    //r_max=m_grid->r(imax);
    for (int i = imin; i < imax - 1; i++)
    {
      m_Y1[i] = (m_Y[i + 1] - m_Y[i]) / ((*m_grid)[i + 1] - (*m_grid)[i]);
      //m_Y1[i]= (m_Y[i+1]-m_Y[i])*delta_inv;
    }
    m_Y1[imax] = 0.0;
    ConstValue = m_Y[imax];
  }

  inline void spline() { spline(0, 0.0, this->size() - 1, 0.0); }
};

} // namespace qmcplusplus
#endif