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.algorithms.misc;
39
40 import edu.rit.pj.Comm;
41 import ffx.algorithms.cli.AlgorithmsScript;
42 import ffx.utilities.FFXTest;
43 import groovy.lang.Binding;
44
45 import java.io.File;
46 import java.net.URL;
47 import java.util.logging.Level;
48 import org.junit.After;
49 import org.junit.Before;
50 import org.junit.BeforeClass;
51
52 /**
53 * Base class for Algorithm tests.
54 *
55 * @author Michael J. Schnieders
56 */
57 public class AlgorithmsTest extends FFXTest {
58
59 public AlgorithmsScript algorithmsScript;
60 public Binding binding;
61
62 /** Initialize the PJ communication layer. */
63 @BeforeClass
64 public static void beforeClass() {
65 FFXTest.beforeClass();
66 try {
67 Comm.world();
68 } catch (IllegalStateException ise) {
69 try {
70 String[] args = new String[0];
71 Comm.init(args);
72 } catch (Exception e) {
73 String message = " Exception starting up the Parallel Java communication layer.";
74 logger.log(Level.WARNING, message, e.toString());
75 }
76 }
77 }
78
79 @Override
80 @Before
81 public void beforeTest() {
82 super.beforeTest();
83 binding = new Binding();
84 }
85
86 @Override
87 @After
88 public void afterTest() {
89 super.afterTest();
90 // The script could be null if the test was skipped (e.g. no CUDA environment for OpenMM).
91 if (algorithmsScript != null) {
92 algorithmsScript.destroyPotentials();
93 }
94 }
95
96 /**
97 * Get a resource file from the classpath.
98 *
99 * @param filename
100 * @return the resource file.
101 */
102 public String getResourcePath(String filename) {
103 if (filename == null) {
104 return null;
105 }
106 ClassLoader classLoader = getClass().getClassLoader();
107 URL url = classLoader.getResource(filename);
108 if (url == null) {
109 return null;
110 }
111 return url.getPath();
112 }
113
114 /**
115 * Get a resource file from the classpath.
116 *
117 * @param filename
118 * @return the resource file.
119 */
120 public File getResourceFile(String filename) {
121 String path = getResourcePath(filename);
122 if (path == null) {
123 return null;
124 }
125 return new File(path);
126 }
127
128 }