Program Listing for File spline.h

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/*
 * spline.h
 *
 * simple cubic spline interpolation library without external
 * dependencies
 *
 * ---------------------------------------------------------------------
 * Copyright (C) 2011, 2014 Tino Kluge (ttk448 at gmail.com)
 *
 *  This program is free software; you can redistribute it and/or
 *  modify it under the terms of the GNU General Public License
 *  as published by the Free Software Foundation; either version 2
 *  of the License, or (at your option) any later version.
 *
 *  This program 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 General Public License for more details.
 *
 *  You should have received a copy of the GNU General Public License
 *  along with this program.  If not, see <http://www.gnu.org/licenses/>.
 * ---------------------------------------------------------------------
 *
 */


#ifndef TK_SPLINE_H
#define TK_SPLINE_H

#include <cstdio>
#include <cassert>
#include <vector>
#include <algorithm>


// unnamed namespace only because the implementation is in this
// header file and we don't want to export symbols to the obj files
namespace {

    namespace tk {

// band matrix solver
        class band_matrix {
        private:
            std::vector<std::vector<double> > m_upper;  // upper band
            std::vector<std::vector<double> > m_lower;  // lower band
        public:
            band_matrix() {};                             // constructor
            band_matrix(int dim, int n_u, int n_l);       // constructor
            ~band_matrix() {};                            // destructor
            void resize(int dim, int n_u, int n_l);      // init with dim,n_u,n_l
            int dim() const;                             // matrix dimension
            int num_upper() const {
                return m_upper.size() - 1;
            }

            int num_lower() const {
                return m_lower.size() - 1;
            }

            // access operator
            double &operator()(int i, int j);            // write
            double operator()(int i, int j) const;      // read
            // we can store an additional diogonal (in m_lower)
            double &saved_diag(int i);

            double saved_diag(int i) const;

            void lu_decompose();

            std::vector<double> r_solve(const std::vector<double> &b) const;

            std::vector<double> l_solve(const std::vector<double> &b) const;

            std::vector<double> lu_solve(const std::vector<double> &b,
                                         bool is_lu_decomposed = false);

        };


// spline interpolation
        class spline {
        public:
            enum bd_type {
                first_deriv = 1,
                second_deriv = 2
            };

        private:
            std::vector<double> m_x, m_y;            // x,y coordinates of points
            // interpolation parameters
            // f(x) = a*(x-x_i)^3 + b*(x-x_i)^2 + c*(x-x_i) + y_i
            std::vector<double> m_a, m_b, m_c;        // spline coefficients
            double m_b0, m_c0;                     // for left extrapol
            bd_type m_left, m_right;
            double m_left_value, m_right_value;
            bool m_force_linear_extrapolation;

        public:
            // set default boundary condition to be zero curvature at both ends
            spline() : m_left(second_deriv), m_right(second_deriv),
                       m_left_value(0.0), m_right_value(0.0),
                       m_force_linear_extrapolation(false) {
                ;
            }

            // optional, but if called it has to come be before set_points()
            void set_boundary(bd_type left, double left_value,
                              bd_type right, double right_value,
                              bool force_linear_extrapolation = false);

            void set_points(const std::vector<double> &x,
                            const std::vector<double> &y, bool cubic_spline = true);

            double operator()(double x) const;
        };



// ---------------------------------------------------------------------
// implementation part, which could be separated into a cpp file
// ---------------------------------------------------------------------


// band_matrix implementation
// -------------------------

        band_matrix::band_matrix(int dim, int n_u, int n_l) {
            resize(dim, n_u, n_l);
        }

        void band_matrix::resize(int dim, int n_u, int n_l) {
            assert(dim > 0);
            assert(n_u >= 0);
            assert(n_l >= 0);
            m_upper.resize(n_u + 1);
            m_lower.resize(n_l + 1);
            for (size_t i = 0; i < m_upper.size(); i++) {
                m_upper[i].resize(dim);
            }
            for (size_t i = 0; i < m_lower.size(); i++) {
                m_lower[i].resize(dim);
            }
        }

        int band_matrix::dim() const {
            if (m_upper.size() > 0) {
                return m_upper[0].size();
            } else {
                return 0;
            }
        }


// defines the new operator (), so that we can access the elements
// by A(i,j), index going from i=0,...,dim()-1
        double &band_matrix::operator()(int i, int j) {
            int k = j - i;       // what band is the entry
            assert((i >= 0) && (i < dim()) && (j >= 0) && (j < dim()));
            assert((-num_lower() <= k) && (k <= num_upper()));
            // k=0 -> diogonal, k<0 lower left part, k>0 upper right part
            if (k >= 0) return m_upper[k][i];
            else return m_lower[-k][i];
        }

        double band_matrix::operator()(int i, int j) const {
            int k = j - i;       // what band is the entry
            assert((i >= 0) && (i < dim()) && (j >= 0) && (j < dim()));
            assert((-num_lower() <= k) && (k <= num_upper()));
            // k=0 -> diogonal, k<0 lower left part, k>0 upper right part
            if (k >= 0) return m_upper[k][i];
            else return m_lower[-k][i];
        }

// second diag (used in LU decomposition), saved in m_lower
        double band_matrix::saved_diag(int i) const {
            assert((i >= 0) && (i < dim()));
            return m_lower[0][i];
        }

        double &band_matrix::saved_diag(int i) {
            assert((i >= 0) && (i < dim()));
            return m_lower[0][i];
        }

// LR-Decomposition of a band matrix
        void band_matrix::lu_decompose() {
            int i_max, j_max;
            int j_min;
            double x;

            // preconditioning
            // normalize column i so that a_ii=1
            for (int i = 0; i < this->dim(); i++) {
                assert(this->operator()(i, i) != 0.0);
                this->saved_diag(i) = 1.0 / this->operator()(i, i);
                j_min = std::max(0, i - this->num_lower());
                j_max = std::min(this->dim() - 1, i + this->num_upper());
                for (int j = j_min; j <= j_max; j++) {
                    this->operator()(i, j) *= this->saved_diag(i);
                }
                this->operator()(i, i) = 1.0;          // prevents rounding errors
            }

            // Gauss LR-Decomposition
            for (int k = 0; k < this->dim(); k++) {
                i_max = std::min(this->dim() - 1, k + this->num_lower());  // num_lower not a mistake!
                for (int i = k + 1; i <= i_max; i++) {
                    assert(this->operator()(k, k) != 0.0);
                    x = -this->operator()(i, k) / this->operator()(k, k);
                    this->operator()(i, k) = -x;                         // assembly part of L
                    j_max = std::min(this->dim() - 1, k + this->num_upper());
                    for (int j = k + 1; j <= j_max; j++) {
                        // assembly part of R
                        this->operator()(i, j) = this->operator()(i, j) + x * this->operator()(k, j);
                    }
                }
            }
        }

// solves Ly=b
        std::vector<double> band_matrix::l_solve(const std::vector<double> &b) const {
            assert(this->dim() == (int) b.size());
            std::vector<double> x(this->dim());
            int j_start;
            double sum;
            for (int i = 0; i < this->dim(); i++) {
                sum = 0;
                j_start = std::max(0, i - this->num_lower());
                for (int j = j_start; j < i; j++) sum += this->operator()(i, j) * x[j];
                x[i] = (b[i] * this->saved_diag(i)) - sum;
            }
            return x;
        }

// solves Rx=y
        std::vector<double> band_matrix::r_solve(const std::vector<double> &b) const {
            assert(this->dim() == (int) b.size());
            std::vector<double> x(this->dim());
            int j_stop;
            double sum;
            for (int i = this->dim() - 1; i >= 0; i--) {
                sum = 0;
                j_stop = std::min(this->dim() - 1, i + this->num_upper());
                for (int j = i + 1; j <= j_stop; j++) sum += this->operator()(i, j) * x[j];
                x[i] = (b[i] - sum) / this->operator()(i, i);
            }
            return x;
        }

        std::vector<double> band_matrix::lu_solve(const std::vector<double> &b,
                                                  bool is_lu_decomposed) {
            assert(this->dim() == (int) b.size());
            std::vector<double> x, y;
            if (is_lu_decomposed == false) {
                this->lu_decompose();
            }
            y = this->l_solve(b);
            x = this->r_solve(y);
            return x;
        }




// spline implementation
// -----------------------

        void spline::set_boundary(spline::bd_type left, double left_value,
                                  spline::bd_type right, double right_value,
                                  bool force_linear_extrapolation) {
            assert(m_x.size() == 0);          // set_points() must not have happened yet
            m_left = left;
            m_right = right;
            m_left_value = left_value;
            m_right_value = right_value;
            m_force_linear_extrapolation = force_linear_extrapolation;
        }


        void spline::set_points(const std::vector<double> &x,
                                const std::vector<double> &y, bool cubic_spline) {
            assert(x.size() == y.size());
            assert(x.size() > 2);
            m_x = x;
            m_y = y;
            int n = x.size();
            // TODO: maybe sort x and y, rather than returning an error
            for (int i = 0; i < n - 1; i++) {
                assert(m_x[i] < m_x[i + 1]);
            }

            if (cubic_spline == true) { // cubic spline interpolation
                // setting up the matrix and right hand side of the equation system
                // for the parameters b[]
                band_matrix A(n, 1, 1);
                std::vector<double> rhs(n);
                for (int i = 1; i < n - 1; i++) {
                    A(i, i - 1) = 1.0 / 3.0 * (x[i] - x[i - 1]);
                    A(i, i) = 2.0 / 3.0 * (x[i + 1] - x[i - 1]);
                    A(i, i + 1) = 1.0 / 3.0 * (x[i + 1] - x[i]);
                    rhs[i] = (y[i + 1] - y[i]) / (x[i + 1] - x[i]) - (y[i] - y[i - 1]) / (x[i] - x[i - 1]);
                }
                // boundary conditions
                if (m_left == spline::second_deriv) {
                    // 2*b[0] = f''
                    A(0, 0) = 2.0;
                    A(0, 1) = 0.0;
                    rhs[0] = m_left_value;
                } else if (m_left == spline::first_deriv) {
                    // c[0] = f', needs to be re-expressed in terms of b:
                    // (2b[0]+b[1])(x[1]-x[0]) = 3 ((y[1]-y[0])/(x[1]-x[0]) - f')
                    A(0, 0) = 2.0 * (x[1] - x[0]);
                    A(0, 1) = 1.0 * (x[1] - x[0]);
                    rhs[0] = 3.0 * ((y[1] - y[0]) / (x[1] - x[0]) - m_left_value);
                } else {
                    assert(false);
                }
                if (m_right == spline::second_deriv) {
                    // 2*b[n-1] = f''
                    A(n - 1, n - 1) = 2.0;
                    A(n - 1, n - 2) = 0.0;
                    rhs[n - 1] = m_right_value;
                } else if (m_right == spline::first_deriv) {
                    // c[n-1] = f', needs to be re-expressed in terms of b:
                    // (b[n-2]+2b[n-1])(x[n-1]-x[n-2])
                    // = 3 (f' - (y[n-1]-y[n-2])/(x[n-1]-x[n-2]))
                    A(n - 1, n - 1) = 2.0 * (x[n - 1] - x[n - 2]);
                    A(n - 1, n - 2) = 1.0 * (x[n - 1] - x[n - 2]);
                    rhs[n - 1] = 3.0 * (m_right_value - (y[n - 1] - y[n - 2]) / (x[n - 1] - x[n - 2]));
                } else {
                    assert(false);
                }

                // solve the equation system to obtain the parameters b[]
                m_b = A.lu_solve(rhs);

                // calculate parameters a[] and c[] based on b[]
                m_a.resize(n);
                m_c.resize(n);
                for (int i = 0; i < n - 1; i++) {
                    m_a[i] = 1.0 / 3.0 * (m_b[i + 1] - m_b[i]) / (x[i + 1] - x[i]);
                    m_c[i] = (y[i + 1] - y[i]) / (x[i + 1] - x[i])
                             - 1.0 / 3.0 * (2.0 * m_b[i] + m_b[i + 1]) * (x[i + 1] - x[i]);
                }
            } else { // linear interpolation
                m_a.resize(n);
                m_b.resize(n);
                m_c.resize(n);
                for (int i = 0; i < n - 1; i++) {
                    m_a[i] = 0.0;
                    m_b[i] = 0.0;
                    m_c[i] = (m_y[i + 1] - m_y[i]) / (m_x[i + 1] - m_x[i]);
                }
            }

            // for left extrapolation coefficients
            m_b0 = (m_force_linear_extrapolation == false) ? m_b[0] : 0.0;
            m_c0 = m_c[0];

            // for the right extrapolation coefficients
            // f_{n-1}(x) = b*(x-x_{n-1})^2 + c*(x-x_{n-1}) + y_{n-1}
            double h = x[n - 1] - x[n - 2];
            // m_b[n-1] is determined by the boundary condition
            m_a[n - 1] = 0.0;
            m_c[n - 1] = 3.0 * m_a[n - 2] * h * h + 2.0 * m_b[n - 2] * h + m_c[n - 2];   // = f'_{n-2}(x_{n-1})
            if (m_force_linear_extrapolation == true)
                m_b[n - 1] = 0.0;
        }

        double spline::operator()(double x) const {
            size_t n = m_x.size();
            // find the closest point m_x[idx] < x, idx=0 even if x<m_x[0]
            std::vector<double>::const_iterator it;
            it = std::lower_bound(m_x.begin(), m_x.end(), x);
            int idx = std::max(int(it - m_x.begin()) - 1, 0);

            double h = x - m_x[idx];
            double interpol;
            if (x < m_x[0]) {
                // extrapolation to the left
                interpol = (m_b0 * h + m_c0) * h + m_y[0];
            } else if (x > m_x[n - 1]) {
                // extrapolation to the right
                interpol = (m_b[n - 1] * h + m_c[n - 1]) * h + m_y[n - 1];
            } else {
                // interpolation
                interpol = ((m_a[idx] * h + m_b[idx]) * h + m_c[idx]) * h + m_y[idx];
            }
            return interpol;
        }


    } // namespace tk


} // namespace

#endif /* TK_SPLINE_H */