/*-------------------------------------------------------------------------
| 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 <iostream.h>
#include "species.h"
#include "memtst.h"

void print_formula(formula& t)
{
  if (t)
  {
    cout << "formula " << t << ", massa is " << t.mass()
         << ", number of characters " << t.len() << endl;
    cout << "molecular formula ";
    for (int i = 0; i < t.nel(); i++)
      cout << t.el(i) << t.noa(i) << ' ';
    cout << endl;
    cout << "number of K atoms is " << t.noa(elem("K")) << endl << endl;
  }
  else
    cout << "formula is not determined" << endl << endl;
}


int main() {
  memory test;
  formula a;
  formula b("K2SO4");
  a = b;
  print_formula(a);
  a = "Al2(SO4)3";
  print_formula(a);
  b = "KSO4-";
  print_formula(b);
  b = "SO4e2  ";
  print_formula(b);
  b = "C60e-10  ";
  print_formula(b);
  do {
    cout << endl;
    cout << "Enter first formula (spaces are not allowed)" << endl;
    cin >> a;
    print_formula(a);
    cout << "Enter second formula (spaces are not allowed)" << endl;
    cin >> b;
    print_formula(b);
    cout << "results of comparisons" << endl;
    cout << "a < b is  " << (a < b) << endl;
    cout << "a <= b is " << (a <= b) << endl;
    cout << "a == b is " << (a == b) << endl;
    cout << "a >= b is " << (a >= b) << endl;
    cout << "a > b is  " << (a > b) << endl;
  }
  while (a && b);
  return 0;
}