/* * Concept profile generation tool suite * Copyright (C) 2015 Biosemantics Group, Erasmus University Medical Center, * Rotterdam, The Netherlands * * This program is free software: you can redistribute it and/or modify * it under the terms of the GNU Affero General Public License as published * by the Free Software Foundation, either version 3 of the License, or * (at your option) any later version. * * This program is distributed in the hope that it will be useful, * but WITHOUT ANY WARRANTY; without even the implied warranty of * MERCHANTABILITY or FITNESS FOR A PARTICULAR PURPOSE. See the * GNU Affero General Public License for more details. * * You should have received a copy of the GNU Affero General Public License * along with this program. If not, see <http://www.gnu.org/licenses/> */ package JochemBuilder.KEGGdrug; import java.util.HashMap; import java.util.Iterator; import java.util.List; import java.util.Map; import org.erasmusmc.ids.DatabaseID; import org.erasmusmc.ontology.Concept; import org.erasmusmc.ontology.OntologyStore; import org.erasmusmc.utilities.ReadTextFile; public class MapKEGGd2InChI { public OntologyStore map(OntologyStore ontology, String mapfile){ System.out.println("Loading ontology... "); int longInchi = 0; ReadTextFile mapFile = new ReadTextFile(mapfile); Map<String, String> idToInchi = new HashMap<String, String>(); Iterator<String> iterator = mapFile.getIterator(); while(iterator.hasNext()){ String line = iterator.next(); String[] columns = line.split("\t"); String key = columns[0]; String value = columns[1]; idToInchi.put(key, value); } Concept concept = null; Iterator<Concept> conceptIterator = ontology.getConceptIterator(); while (conceptIterator.hasNext()) { DatabaseID inchid = null; concept = conceptIterator.next(); List<DatabaseID> ids = ontology.getDatabaseIDsForConcept(concept.getID()); for (DatabaseID id: ids){ if (id.database.equals("KEGD")){ if (idToInchi.get(id.ID)!=null){ inchid = new DatabaseID("INCH", idToInchi.get(id.ID)); if (idToInchi.get(id.ID).length()>255) longInchi++; } } } if (inchid!=null) ontology.setDatabaseIDForConcept(concept.getID(), inchid); } System.out.println("Done. "); System.out.println("No of InChi longer than 255 characters "+longInchi); return ontology; } }