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e89a9b0d79
declarations for WIN32 compiles. Thanks to Noel and Donald Curtis
for pointing out Cygwin problems.
63 lines
1.6 KiB
C++
63 lines
1.6 KiB
C++
/**********************************************************************
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data.cpp - Unit tests for Open Babel data classes
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Copyright (C) 2005-2006 Geoffrey R. Hutchison
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This file is part of the Open Babel project.
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For more information, see <http://openbabel.sourceforge.net/>
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This program is free software; you can redistribute it and/or modify
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it under the terms of the GNU General Public License as published by
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the Free Software Foundation version 2 of the License.
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This program is distributed in the hope that it will be useful,
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but WITHOUT ANY WARRANTY; without even the implied warranty of
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MERCHANTABILITY or FITNESS FOR A PARTICULAR PURPOSE. See the
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GNU General Public License for more details.
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***********************************************************************/
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// used to set import/export for Cygwin DLLs
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#ifdef WIN32
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#define USING_OBDLL
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#endif
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#include "babelconfig.h"
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#include <math.h>
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#include <stdio.h>
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#include <iostream>
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#include "mol.h"
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#include "data.h"
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using namespace std;
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using namespace OpenBabel;
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int main(int argc,char *argv[])
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{
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// turn off slow sync with C-style output (we don't use it anyway).
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std::ios::sync_with_stdio(false);
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if (argc != 1)
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{
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cout << "Usage: data" << endl;
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cout << " Unit tests for Open Babel data tables " << endl;
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return(-1);
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}
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cout << "# Unit tests for data tables \n";
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// the number of tests for "prove"
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cout << "1..2\n";
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cout << "ok 1\n"; // for loading tests
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double mass = etab.GetMass(2);
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if ( fabs(mass - 4.0026 ) < 2e-3 )
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cout << "ok 2\n";
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else
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cout << "not ok 2\n";
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return(0);
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}
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