1 /* $RCSfile$ 2 * $Author$ 3 * $Date$ 4 * $Revision$ 5 * 6 * Copyright (C) 2011 The Jmol Development Team 7 * 8 * Contact: jmol-developers@lists.sf.net 9 * 10 * This library is free software; you can redistribute it and/or 11 * modify it under the terms of the GNU Lesser General Public 12 * License as published by the Free Software Foundation; either 13 * version 2.1 of the License, or (at your option) any later version. 14 * 15 * This library is distributed in the hope that it will be useful, 16 * but WITHOUT ANY WARRANTY; without even the implied warranty of 17 * MERCHANTABILITY or FITNESS FOR A PARTICULAR PURPOSE. See the GNU 18 * Lesser General Public License for more details. 19 * 20 * You should have received a copy of the GNU Lesser General Public 21 * License along with this library; if not, write to the Free Software 22 * Foundation, Inc., 51 Franklin Street, Fifth Floor, Boston, MA 23 * 02110-1301, USA. 24 */ 25 26 package org.jmol.c; 27 28 public enum VDW { 29 30 JMOL(0, "Jmol",null), //OpenBabel-1.0 31 BABEL(1, "Babel",null), //OpenBabel-2.2 32 RASMOL(2, "RasMol",null), //OpenRasmol-2.7.2.1.1 33 BABEL21(3, "Babel21",null), //OpenBabel-2.1 34 35 AUTO_JMOL(0, null,"Jmol"), //JMOL if undecided 36 AUTO_BABEL(1, null,"Babel"), //BABEL if undecided 37 AUTO_RASMOL(2, null,"RasMol"), //RASMOL if undecided 38 AUTO(0, "Auto",null), // 39 40 USER(-1, "User",null), // 41 42 ADPMAX(-1, null, "adpmax"), 43 ADPMIN(-1, null, "adpmin"), 44 HYDRO(-1, null, "hydrophobic"), 45 BONDING(-1, null, "bondingradius"), 46 TEMP(-1, null, "temperature"), 47 48 NOJMOL(-1, null,null), //surface will be adding H atoms ?? 49 NADA(-1, null, null); // ABSOLUTE type -- ignore 50 51 public int pt; 52 private String type; 53 private String type2; 54 VDW(int pt, String type, String type2)55 private VDW(int pt, String type, String type2) { 56 this.pt = pt; 57 this.type = type; 58 this.type2 = type2; 59 } getVdwLabel()60 public String getVdwLabel() { 61 return (type == null ? type2 : type); 62 } 63 getVdwType(String label)64 public static VDW getVdwType(String label) { 65 if (label != null) 66 for (VDW item : values()) 67 if (label.equalsIgnoreCase(item.type)) 68 return item; 69 return null; 70 } 71 getVdwType2(String label)72 public static VDW getVdwType2(String label) { 73 if (label != null) 74 for (VDW item : values()) 75 if (label.equalsIgnoreCase(item.type2)) 76 return item; 77 return null; 78 } 79 } 80