1 // ******************************************************************************
2 //
3 // Title: Force Field X.
4 // Description: Force Field X - Software for Molecular Biophysics.
5 // Copyright: Copyright (c) Michael J. Schnieders 2001-2024.
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.utils;
39
40 import ffx.potential.cli.PotentialScript;
41 import ffx.utilities.FFXTest;
42 import groovy.lang.Binding;
43
44 import java.io.File;
45 import java.net.URL;
46
47 /**
48 * PotentialTest extends BaseFFXTest to include support for:
49 * <br>
50 * 1) Creating a Groovy Binding before each test.
51 * <br>
52 * 2) Destroying created potentials after each test.
53 */
54 public class PotentialTest extends FFXTest {
55
56 public PotentialScript potentialScript;
57 public Binding binding;
58
59 @Override
60 public void beforeTest() {
61 super.beforeTest();
62 binding = new Binding();
63 }
64
65 @Override
66 public void afterTest() {
67 super.afterTest();
68 // The script could be null if the test was skipped (e.g. no CUDA environment for OpenMM).
69 if (potentialScript != null) {
70 potentialScript.destroyPotentials();
71 }
72 }
73
74 /**
75 * Get a resource file from the classpath.
76 *
77 * @param filename
78 * @return the resource file.
79 */
80 public String getResourcePath(String filename) {
81 if (filename == null) {
82 return null;
83 }
84 ClassLoader classLoader = getClass().getClassLoader();
85 URL url = classLoader.getResource(filename);
86 if (url == null) {
87 return null;
88 }
89 return url.getPath();
90 }
91
92 /**
93 * Get a resource file from the classpath.
94 *
95 * @param filename
96 * @return the resource file.
97 */
98 public File getResourceFile(String filename) {
99 String path = getResourcePath(filename);
100 if (path == null) {
101 return null;
102 }
103 return new File(path);
104 }
105
106 }