/** * BioJava development code * * This code may be freely distributed and modified under the * terms of the GNU Lesser General Public Licence. This should * be distributed with the code. If you do not have a copy, * see: * * http://www.gnu.org/copyleft/lesser.html * * Copyright for this code is held jointly by the individual * authors. These should be listed in @author doc comments. * * For more information on the BioJava project and its aims, * or to join the biojava-l mailing list, visit the home page * at: * * http://www.biojava.org/ * * Created on 2013-06-13 * Created by Douglas Myers-Turnbull * * @since 3.0.6 */ package org.biojava.nbio.structure.rcsb; /** * Corresponds to a ligand in a {@code ligandInfo} XML file. * * @see <a href="http://www.pdb.org/pdb/software/rest.do#descPDB">RCSB RESTful</a> * * @author dmyerstu * @since 3.0.6 */ public class RCSBLigand { private String formula; private String id; private String inChI; private String inChIKey; private String name; private String smiles; private String type; private Double weight; public String getFormula() { return formula; } public String getId() { return id; } public String getInChI() { return inChI; } public String getInChIKey() { return inChIKey; } public String getName() { return name; } public String getSmiles() { return smiles; } public String getType() { return type; } public Double getWeight() { return weight; } public void setFormula(String formula) { this.formula = formula; } public void setId(String id) { this.id = id; } public void setInChI(String inChI) { this.inChI = inChI; } public void setInChIKey(String inChIKey) { this.inChIKey = inChIKey; } public void setName(String name) { this.name = name; } public void setSmiles(String smiles) { this.smiles = smiles; } public void setType(String type) { this.type = type; } public void setWeight(Double weight) { this.weight = weight; } }