/** * pdbgroup.java * Copyright (c) 1998 Peter McCluskey, all rights reserved. * based in part on the code from * RasMol2 Molecular Graphics by Roger Sayle, August 1995, Version 2.6 * * Redistribution and use in source and binary forms, with or without * modification, are permitted provided that the following conditions * are met: * 1. Redistributions of source code must retain the above copyright * notice, this list of conditions and the following disclaimer. * 2. Redistributions in binary form must reproduce the above copyright * notice, this list of conditions and the following disclaimer in the * documentation and other materials provided with the distribution. * * This software is provided "as is" and any express or implied warranties, * including, but not limited to, the implied warranties of merchantability * or fitness for any particular purpose are disclaimed. In no event shall * Peter McCluskey be liable for any direct, indirect, incidental, special, * exemplary, or consequential damages (including, but not limited to, * procurement of substitute goods or services; loss of use, data, or * profits; or business interruption) however caused and on any theory of * liability, whether in contract, strict liability, or tort (including * negligence or otherwise) arising in any way out of the use of this * software, even if advised of the possibility of such damage. */ import java.awt.*; import java.lang.Math; import java.util.Vector; import PDBAtom; import GenericGroup; import MaskDesc; import Element; public class XYZGroup extends GenericGroup { public int SimpleAtomType(String type) { StringBuffer name = new StringBuffer(); if( type.length() > 1 && (type.charAt(1) != ' ') ) { name.append(Character.toUpperCase(type.charAt(0))); name.append(Character.toUpperCase(type.charAt(1))); } else { name.append(' '); name.append(Character.toUpperCase(type.charAt(0))); } name.append(" "); return( NewAtomType(name.toString()) ); } }