/**********************************************************************
data.cpp - Unit tests for Open Babel data classes

Copyright (C) 2005-2006 Geoffrey R. Hutchison
 
This file is part of the Open Babel project.
For more information, see <http://openbabel.org/>

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 version 2 of the License.
 
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.
***********************************************************************/

// used to set import/export for Cygwin DLLs
#ifdef WIN32
#define USING_OBDLL
#endif

#include <openbabel/babelconfig.h>

#include <cmath>
#include <cstdio>
#include <iostream>

#include <openbabel/mol.h>
#include <openbabel/data.h>
#include <openbabel/elements.h>

using namespace std;
using namespace OpenBabel;

int datatest(int argc, char* argv[])
{
  int defaultchoice = 1;
  
  int choice = defaultchoice;

  if (argc > 1) {
    if(sscanf(argv[1], "%d", &choice) != 1) {
      printf("Couldn't parse that input as a number\n");
      return -1;
    }
  }

  cout << "# Unit tests for data tables \n";

  // the number of tests for "prove"
  cout << "1..2\n";

  cout << "ok 1\n"; // for loading tests

  double mass = OBElements::GetMass(2);
  if ( fabs(mass - 4.0026 ) < 2e-3 )
    cout << "ok 2\n";
  else
    cout << "not ok 2\n";

  return(0);
}
