/*
   testpaxx.cc

   Example program for the computation of piece-wise analytic fits to
   probability distribution functions, based on sample data.

   Ramses van Zon, December 13, 2009

   Reference:
   [] Ramses van Zon and Jeremy Schofield, "Constructing smooth
      potentials of mean force, radial distribution functions and
      probability densities from sampled data", 
      arxiv.0912.0465 [cond-mat.stat-mech].
*/

#include <iostream>
#include <algorithm>
#include "paxx.h"

const int     km = 21;   /* maximum number of intervals */
const int     mm = 14;   /* maximum number of Fourier modes per interval */
const double  qm = 0.6;  /* satisfactory value for Q */

using namespace std;
using namespace pa;

int main( int argc, char **argv )
{
  int     m, n;
  double  y1, y2;
  double *r = newreadbinfile(argv[1], y1, y2, m, n);

  cout << "#Read " << n << " numbers from file " << argv[1] << "\n"
       << "#y1=" << y1 << " y2=" << y2 << " m=" << m << "\n"
       << "#Performing pa analysis" << endl;

  sort(r,r+n);

  Fit     fit;
  double  q = fit.fit(n,r,qm,km,mm,1);

  delete[] r;

  cout << "#Writing distribution at " << m << " points" << endl;
  double dy = (y2-y1)/m;
  for (double y = y1;y <= y2; y += dy)
    cout << y << " " << fit.pd(y) << " " << fit.cd(y) << "\n";

  cout << "#Parameters (q=" << q << "):" << endl;
  fit.write(stdout);
}