1 // ******************************************************************************
2 //
3 // Title: Force Field X.
4 // Description: Force Field X - Software for Molecular Biophysics.
5 // Copyright: Copyright (c) Michael J. Schnieders 2001-2025.
6 //
7 // This file is part of Force Field X.
8 //
9 // Force Field X is free software; you can redistribute it and/or modify it
10 // under the terms of the GNU General Public License version 3 as published by
11 // the Free Software Foundation.
12 //
13 // Force Field X is distributed in the hope that it will be useful, but WITHOUT
14 // ANY WARRANTY; without even the implied warranty of MERCHANTABILITY or FITNESS
15 // FOR A PARTICULAR PURPOSE. See the GNU General Public License for more
16 // details.
17 //
18 // You should have received a copy of the GNU General Public License along with
19 // Force Field X; if not, write to the Free Software Foundation, Inc., 59 Temple
20 // Place, Suite 330, Boston, MA 02111-1307 USA
21 //
22 // Linking this library statically or dynamically with other modules is making a
23 // combined work based on this library. Thus, the terms and conditions of the
24 // GNU General Public License cover the whole combination.
25 //
26 // As a special exception, the copyright holders of this library give you
27 // permission to link this library with independent modules to produce an
28 // executable, regardless of the license terms of these independent modules, and
29 // to copy and distribute the resulting executable under terms of your choice,
30 // provided that you also meet, for each linked independent module, the terms
31 // and conditions of the license of that module. An independent module is a
32 // module which is not derived from or based on this library. If you modify this
33 // library, you may extend this exception to your version of the library, but
34 // you are not obligated to do so. If you do not wish to do so, delete this
35 // exception statement from your version.
36 //
37 // ******************************************************************************
38 package ffx.potential.groovy;
39
40 import ffx.potential.utils.PotentialTest;
41 import org.apache.tools.ant.Project;
42 import org.apache.tools.ant.types.Path;
43 import org.junit.Test;
44
45 /**
46 * Test the FFtoXML script.
47 */
48 public class FFtoXMLTest extends PotentialTest {
49
50 @Test
51 public void testFFtoXML() {
52 // Set-up the input arguments for the FFtoXML script.
53 String filepath = getResourcePath("1bpi.key");
54 String[] args = {filepath};
55 binding.setVariable("args", args);
56 binding.setVariable("baseDir", registerTemporaryDirectory().toFile());
57
58 // Construct and evaluate the FFtoXML script.
59 FFtoXML fFtoXML = new FFtoXML(binding).run();
60 potentialScript = fFtoXML;
61 }
62
63 @Test
64 public void testFFtoXMLHelp() {
65 // Set-up the input arguments for the FFtoXML script.
66 String[] args = {"-h"};
67 binding.setVariable("args", args);
68
69 // Construct and evaluate the FFtoXML script.
70 FFtoXML fFtoXML = new FFtoXML(binding).run();
71 potentialScript = fFtoXML;
72 }
73 }