File: data.cpp

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/**********************************************************************
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.sourceforge.net/>

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 <math.h>
#include <stdio.h>
#include <iostream>

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

using namespace std;
using namespace OpenBabel;

int main(int argc,char *argv[])
{
  // turn off slow sync with C-style output (we don't use it anyway).
  std::ios::sync_with_stdio(false);

  if (argc != 1)
    {
      cout << "Usage: data" << endl;
      cout << " Unit tests for Open Babel data tables " << endl;
      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 = etab.GetMass(2);
  if ( fabs(mass - 4.0026 ) < 2e-3 )
    cout << "ok 2\n";
  else
    cout << "not ok 2\n";

  return(0);
}