GIntegral.cpp
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/***************************************************************************
* GIntegral.cpp - Integration class *
* ----------------------------------------------------------------------- *
* copyright (C) 2010-2012 by Juergen Knoedlseder *
* ----------------------------------------------------------------------- *
* *
* 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 3 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/>. *
* *
***************************************************************************/
/**
* @file GIntegral.cpp
* @brief Integration class implementation
* @author Juergen Knoedlseder
*/
/* __ Includes ___________________________________________________________ */
#include <cmath> // For std::abs()
#include <vector>
#include "GIntegral.hpp"
#include "GTools.hpp"
/* __ Method name definitions ____________________________________________ */
/* __ Macros _____________________________________________________________ */
/* __ Coding definitions _________________________________________________ */
/* __ Debug definitions __________________________________________________ */
/*==========================================================================
= =
= Constructors/destructors =
= =
==========================================================================*/
/***********************************************************************//**
* @brief Void constructor
***************************************************************************/
GIntegral::GIntegral(void)
{
// Initialise members
init_members();
// Return
return;
}
/***********************************************************************//**
* @brief Function kernel constructor
*
* @param[in] kernel Pointer to function kernel.
*
* The function kernel constructor assigns the function kernel pointer in
* constructing the object.
***************************************************************************/
GIntegral::GIntegral(GFunction* kernel)
{
// Initialise members
init_members();
// Set function kernel
m_kernel = kernel;
// Return
return;
}
/***********************************************************************//**
* @brief Copy constructor
*
* @param[in] integral Integral.
***************************************************************************/
GIntegral::GIntegral(const GIntegral& integral)
{
// Initialise members
init_members();
// Copy members
copy_members(integral);
// Return
return;
}
/***********************************************************************//**
* @brief Destructor
***************************************************************************/
GIntegral::~GIntegral(void)
{
// Free members
free_members();
// Return
return;
}
/*==========================================================================
= =
= Operators =
= =
==========================================================================*/
/***********************************************************************//**
* @brief Assignment operator
*
* @param[in] integral Integral.
***************************************************************************/
GIntegral& GIntegral::operator= (const GIntegral& integral)
{
// Execute only if object is not identical
if (this != &integral) {
// Free members
free_members();
// Initialise integral
init_members();
// Copy members
copy_members(integral);
} // endif: object was not identical
// Return
return *this;
}
/*==========================================================================
= =
= Public methods =
= =
==========================================================================*/
/***********************************************************************//**
* @brief Clear instance
***************************************************************************/
void GIntegral::clear(void)
{
// Free members
free_members();
// Initialise private members
init_members();
// Return
return;
}
/***********************************************************************//**
* @brief Clone instance
*
* @return Pointer to deep copy of integral.
***************************************************************************/
GIntegral* GIntegral::clone(void) const
{
return new GIntegral(*this);
}
/***********************************************************************//**
* @brief Perform Romberg integration
*
* @param[in] a Left integration boundary.
* @param[in] b Right integration boundary.
* @param[in] k Integration order (default: k=5)
*
* Returns the integral of the integrand from a to b. Integration is
* performed by Romberg's method of order 2K, where e.g. K=2 in Simpson's
* rule.
* The number of iterations is limited by m_max_iter. m_eps specifies the
* requested fractional accuracy. By default it is set to 1e-6.
*
* @todo Check that k is smaller than m_max_iter
* @todo Make use of std::vector class
***************************************************************************/
double GIntegral::romb(double a, double b, int k)
{
// Initialise result
bool converged = false;
double result = 0.0;
double ss = 0.0;
double dss = 0.0;
// Continue only if integration range is valid
if (b > a) {
// Allocate temporal storage
double* s = new double[m_max_iter+2];
double* h = new double[m_max_iter+2];
// Initialise step size
h[1] = 1.0;
s[0] = 0.0;
// Iterative loop
for (m_iter = 1; m_iter <= m_max_iter; ++m_iter) {
// Integration using Trapezoid rule
s[m_iter] = trapzd(a, b, m_iter, s[m_iter-1]);
// Compile option: Check for NaN/Inf
#if defined(G_NAN_CHECK)
if (isnotanumber(s[m_iter]) || isinfinite(s[m_iter])) {
std::cout << "*** ERROR: GIntegral::romb";
std::cout << "(a=" << a << ", b=" << b << ", k=" << k << "):";
std::cout << " NaN/Inf encountered";
std::cout << " (s[" << m_iter << "]=" << s[m_iter] << ")";
std::cout << std::endl;
}
#endif
// Starting from iteration k on, use polynomial interpolation
if (m_iter >= k) {
ss = polint(&h[m_iter-k], &s[m_iter-k], k, 0.0, &dss);
if (std::abs(dss) <= m_eps * std::abs(ss)) {
converged = true;
result = ss;
break;
}
}
// Reduce step size
h[m_iter+1]= 0.25 * h[m_iter];
} // endfor: iterative loop
// Free temporal storage
delete [] s;
delete [] h;
// Dump warning
if (!m_silent) {
if (!converged) {
std::cout << "*** WARNING: GIntegral::romb: ";
std::cout << "Integration did not converge ";
std::cout << "(iter=" << m_iter;
std::cout << ", result=" << ss;
std::cout << ", d=" << std::abs(dss);
std::cout << " > " << m_eps * std::abs(ss) << ")";
std::cout << std::endl;
//throw;
}
}
} // endif: integration range was valid
// Return result
return result;
}
/***********************************************************************//**
* @brief Perform Trapezoidal integration
*
* @param[in] a Left integration boundary.
* @param[in] b Right integration boundary.
* @param[in] n Number of steps.
* @param[in] result Result from a previous trapezoidal integration step.
*
* The original Numerical Recipes function had result declared as a static
* variable, yet this led to some untrackable integration problems. For this
* reason, previous results are now passed using an argument.
* Result initialisation is done if n=1.
***************************************************************************/
double GIntegral::trapzd(double a, double b, int n, double result)
{
// Handle case of identical boundaries
if (a == b) {
result = 0.0;
}
// ... otherwise use trapeziodal rule
else {
// Case A: Only a single step is requested
if (n == 1) {
// Evaluate integrand at boundaries
double y_a = m_kernel->eval(a);
double y_b = m_kernel->eval(b);
// Compute result
result = 0.5*(b-a)*(y_a + y_b);
} // endif: only a single step was requested
// Case B: More than a single step is requested
else {
// Compute step level 2^(n-1)
int it = 1;
for (int j = 1; j < n-1; ++j) {
it <<= 1;
}
// Verify that step level is valid
if (it == 0) {
std::cout << "*** ERROR: GIntegral::trapzd(";
std::cout << "a=" << a << ", b=" << b << ", n=" << n;
std::cout << ", result=" << result << "): it=" << it << ". ";
std::cout << "Looks like an overflow?";
std::cout << std::endl;
}
// Set step size
double tnm = double(it);
double del = (b-a)/tnm;
// Verify that step is >0
if (del == 0) {
std::cout << "*** ERROR: GIntegral::trapzd(";
std::cout << "a=" << a << ", b=" << b << ", n=" << n;
std::cout << ", result=" << result << "): del=" << del << ". ";
std::cout << "Step is too small to make sense.";
std::cout << std::endl;
}
// Sum up values
double x = a + 0.5*del;
double sum = 0.0;
for (int j = 0; j < it; ++j, x+=del) {
// Evaluate integrand
double y = m_kernel->eval(x);
// Add integrand
sum += y;
} // endfor: looped over steps
// Set result
result = 0.5*(result + (b-a)*sum/tnm);
}
} // endelse: trapeziodal rule was applied
// Return result
return result;
}
/***********************************************************************//**
* @brief Print integral information
***************************************************************************/
std::string GIntegral::print(void) const
{
// Initialise result string
std::string result;
// Append header
result.append("=== GIntegral ===");
// Append information
result.append("\n"+parformat("Relative precision")+str(eps()));
result.append("\n"+parformat("Max. number of iterations")+str(max_iter()));
if (silent()) {
result.append("\n"+parformat("Warnings")+"suppressed");
}
else {
result.append("\n"+parformat("Warnings")+"in standard output");
}
// Return result
return result;
}
/*==========================================================================
= =
= Protected methods =
= =
==========================================================================*/
/***********************************************************************//**
* @brief Initialise class members
***************************************************************************/
void GIntegral::init_members(void)
{
// Initialise members
m_kernel = NULL;
m_eps = 1.0e-6;
m_max_iter = 20;
m_iter = 0;
m_silent = false;
// Return
return;
}
/***********************************************************************//**
* @brief Copy class members
*
* @param[in] integral Integral.
***************************************************************************/
void GIntegral::copy_members(const GIntegral& integral)
{
// Copy attributes
m_kernel = integral.m_kernel;
m_eps = integral.m_eps;
m_max_iter = integral.m_max_iter;
m_iter = integral.m_iter;
m_silent = integral.m_silent;
// Return
return;
}
/***********************************************************************//**
* @brief Delete class members
***************************************************************************/
void GIntegral::free_members(void)
{
// Return
return;
}
/***********************************************************************//**
* @brief Perform Polynomial interpolation
*
* @param[in] xa Pointer to array of X values.
* @param[in] ya Pointer to array of Y values.
* @param[in] n Number of elements in arrays.
* @param[in] x X value at which interpolations should be performed.
* @param[out] dy Error estimate for interpolated values.
*
* Given arrays xa[1,..,n] and ya[1,..,n], and given a value x, this
* method returns a value y, and an error estimate dy. If P(x) is the
* polynomial of degree n-1, then the returned value y=P(x).
*
* @todo Implement exceptions instead of screen dump.
* @todo Use std::vector for xa and ya and start at 0
***************************************************************************/
double GIntegral::polint(double* xa, double* ya, int n, double x, double *dy)
{
// Initialise result
double y = 0.0;
// Allocate temporary memory
std::vector<double> c(n, 0.0);
std::vector<double> d(n, 0.0);
// Compute initial distance to first node
double dif = std::abs(x-xa[1]);
// Find index ns of the closest table entry
int ns = 0;
for (int i = 0; i < n; ++i) {
double dift = std::abs(x-xa[i+1]);
if (dift < dif) {
ns = i;
dif = dift;
}
c[i] = ya[i+1];
d[i] = ya[i+1];
}
// Get initial approximation to y
y = ya[ns+1];
ns--;
// Loop over each column of the tableau
for (int m = 1; m < n; ++m) {
// Update current c's and d's
for (int i = 0; i < n-m; ++i) {
double ho = xa[i+1] - x;
double hp = xa[i+m+1] - x;
double w = c[i+1] - d[i];
double den = ho - hp;
if (den == 0.0) {
std::cout << "*** ERROR: GIntegral::polint: ";
std::cout << "This error can only occur if two input xa's are identical.";
std::cout << std::endl;
}
den = w/den;
d[i] = hp*den;
c[i] = ho*den;
}
// Compute y correction
*dy = (2*(ns+1) < (n-m)) ? c[ns+1] : d[ns--];
// Update y
y += *dy;
} // endfor: looped over columns of tableau
// Return
return y;
}