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.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 }