/*-------------------------------------------------------------------------
| The software accompanies the paper                                      |
|                                                                         |
| Classes and Objects of Chemical Thermodynamics in Object-Oriented       |
| Programming. 2. A Class of Chemical Species                             |
|                                                                         |
| E.B. Rudnyi                                                             |
| E-mail: rudnyi@comp.chem.msu.su                                         |
| Homepages: http://www.chem.msu.su/~rudnyi/welcome.html                  |
|                                                                         |
| presented at Second Electronic Computational Chemistry Conference,      |
| November 1995, http://hackberry.chem.niu.edu/ECCC2/                     |
--------------------------------------------------------------------------*/

#include <fstream.h>
#include <iomanip.h>
#include "func_Tp.h"
#include "memtst.h"

int main() {
  memory test;
  func_Tp a, aT, ap, aTp, aT2, ap2;
  ifstream in("func_Tp1.dat");
  in >> a >> aT >> ap >> aTp >> aT2 >> ap2;
  for (global::T = 10.; global::T < 101.; global::T += 45)
    for (global::p = 1.; global::p < 11.; global::p += 5)
    {
      cout << "T is " << global::T << " and p is " << global::p << endl;
      cout << "value of f is" << setw(10) << a() << endl;
      cout << "derivative    numerical  analytical" << endl;
      cout << "df/dT        "
           << setw(10) << a.df(global::dT)
           << setw(12) << aT() << endl;
      cout << "df/dp        "
           << setw(10) << a.df(global::dp)
           << setw(12) << ap() << endl;
      cout << "d2f/dTdp     "
           << setw(10) << a.df(global::dTp)
           << setw(12) << aTp() << endl;
      cout << "d2f/dT2      "
           << setw(10) << a.df(global::dT2)
           << setw(12) << aT2() << endl;
      cout << "d2f/dp2      "
           << setw(10) << a.df(global::dp2)
           << setw(12) << ap2() << endl;
      cout << "press RETURN to continue";
      cin.get();
      cout << endl;
    }
  return 0;
}