001/** 002 * BioJava development code 003 * 004 * This code may be freely distributed and modified under the 005 * terms of the GNU Lesser General Public Licence. This should 006 * be distributed with the code. If you do not have a copy, 007 * see: 008 * 009 * http://www.gnu.org/copyleft/lesser.html 010 * 011 * Copyright for this code is held jointly by the individual 012 * authors. These should be listed in @author doc comments. 013 * 014 * For more information on the BioJava project and its aims, 015 * or to join the biojava-l mailing list, visit the home page 016 * at: 017 * 018 * http://www.biojava.org/ 019 * 020 * Created on 2013-06-13 021 * Created by Douglas Myers-Turnbull 022 * 023 * @since 3.0.6 024 */ 025package org.biojava.nbio.structure.rcsb; 026 027/** 028 * Corresponds to a ligand in a {@code ligandInfo} XML file. 029 * 030 * @see <a href="http://www.pdb.org/pdb/software/rest.do#descPDB">RCSB RESTful</a> 031 * 032 * @author dmyerstu 033 * @since 3.0.6 034 */ 035public class RCSBLigand { 036 037 private String formula; 038 private String id; 039 private String inChI; 040 private String inChIKey; 041 private String name; 042 private String smiles; 043 private String type; 044 private Double weight; 045 046 public String getFormula() { 047 return formula; 048 } 049 050 public String getId() { 051 return id; 052 } 053 054 public String getInChI() { 055 return inChI; 056 } 057 058 public String getInChIKey() { 059 return inChIKey; 060 } 061 062 public String getName() { 063 return name; 064 } 065 066 public String getSmiles() { 067 return smiles; 068 } 069 070 public String getType() { 071 return type; 072 } 073 074 public Double getWeight() { 075 return weight; 076 } 077 078 public void setFormula(String formula) { 079 this.formula = formula; 080 } 081 082 public void setId(String id) { 083 this.id = id; 084 } 085 086 public void setInChI(String inChI) { 087 this.inChI = inChI; 088 } 089 090 public void setInChIKey(String inChIKey) { 091 this.inChIKey = inChIKey; 092 } 093 094 public void setName(String name) { 095 this.name = name; 096 } 097 098 public void setSmiles(String smiles) { 099 this.smiles = smiles; 100 } 101 102 public void setType(String type) { 103 this.type = type; 104 } 105 106 public void setWeight(Double weight) { 107 this.weight = weight; 108 } 109 110}