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}