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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.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 <math.h>
#include <stdio.h>
#include <iostream>
#include <openbabel/mol.h>
#include <openbabel/data.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 = etab.GetMass(2);
if ( fabs(mass - 4.0026 ) < 2e-3 )
cout << "ok 2\n";
else
cout << "not ok 2\n";
return(0);
}
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