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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.parsers;
39  
40  import static java.lang.Integer.parseInt;
41  
42  import java.io.BufferedReader;
43  import java.io.File;
44  import java.io.FileReader;
45  import javax.swing.filechooser.FileFilter;
46  import org.apache.commons.io.FilenameUtils;
47  
48  /**
49   * The INTFileFilter class is used to choose TINKER Internal Coordinate (*.INT) files.
50   *
51   * @author Michael J. Schnieders
52   * @since 1.0
53   */
54  public final class INTFileFilter extends FileFilter {
55  
56    /** Default Constructor. */
57    public INTFileFilter() {
58    }
59  
60    /**
61     * This is a static version of the accept method.
62     *
63     * <p>This method return <code>true</code> if the file is a directory or matches the extension for
64     * TINKER internal coordinates (*.INT).
65     *
66     * @param file The File to examine.
67     * @return Returns true if this an INT file.
68     */
69    public static boolean isINT(File file) {
70      return new INTFileFilter().accept(file);
71    }
72  
73    /**
74     * {@inheritDoc}
75     *
76     * <p>This method return <code>true</code> if the file is a directory or matches the extension for
77     * TINKER internal coordinates (*.INT).
78     */
79    @Override
80    public boolean accept(File file) {
81      if (file.isDirectory()) {
82        return true;
83      }
84      String ext = FilenameUtils.getExtension(file.getName());
85      return ext.toUpperCase().startsWith("INT");
86    }
87  
88    /**
89     * acceptDeep
90     *
91     * @param parm a {@link java.io.File} object.
92     * @return a boolean.
93     */
94    public boolean acceptDeep(File parm) {
95      if (parm == null || parm.isDirectory() || !parm.canRead()) {
96        return false;
97      }
98  
99      try (BufferedReader br = new BufferedReader(new FileReader(parm))) {
100       if (!br.ready()) {
101         // Empty File?
102         return false;
103       }
104       // If the first token is not an integer this file is not
105       // an Internal Coordinates File.
106       String rawdata = br.readLine();
107       String[] header = rawdata.trim().split(" +");
108       if (header.length == 0) {
109         return false;
110       }
111       try {
112         parseInt(header[0]);
113       } catch (Exception e) {
114         return false;
115       }
116       // If the first Atom line does not begin with an integer and
117       // contain three tokens, it is not an internal coordinate file.
118       String firstAtom = br.readLine();
119       if (firstAtom == null) {
120         return false;
121       }
122       String[] data = firstAtom.trim().split(" +");
123       if (data.length != 3) {
124         return false;
125       }
126       try {
127         parseInt(data[0]);
128       } catch (Exception e) {
129         return false;
130       }
131       return true;
132     } catch (Exception e) {
133       return true;
134     }
135   }
136 
137   /**
138    * {@inheritDoc}
139    *
140    * <p>Provides a description of the INTFileFilter.
141    */
142   @Override
143   public String getDescription() {
144     return "TINKER Internal Coordinates (*.INT)";
145   }
146 }