/* * 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.chemIDplus; import java.util.ArrayList; 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 MappChemIDplusIDsToCASfromPubChem { public OntologyStore run(OntologyStore ontology, String chidsFile, String casFile) { List<String> chids = new ArrayList<String>(); ReadTextFile chemidplusIds = new ReadTextFile(chidsFile); Iterator<String> chemIterator = chemidplusIds.getIterator(); while (chemIterator.hasNext()) { String line = chemIterator.next(); chids.add(line); } Map<String, String> parsedCASnumbers = new HashMap<String, String>(); ReadTextFile casnumbers = new ReadTextFile(casFile); Iterator<String> casIterator = casnumbers.getIterator(); while (casIterator.hasNext()) { String cas = casIterator.next(); String id = cas.replaceAll("-", ""); int size = id.length(); if (size<9){ int numberOfZerosToAdd = 9-size; int i = 0; while (i<numberOfZerosToAdd){ id = "0"+id; i++; } } parsedCASnumbers.put(id,cas); } Iterator<Concept> conceptIterator = ontology.getConceptIterator(); while (conceptIterator.hasNext()){ DatabaseID newID = null; Concept concept = conceptIterator.next(); List<DatabaseID> databaseIDs = ontology.getDatabaseIDsForConcept(concept.getID()); for (DatabaseID databaseID: databaseIDs){ String db = databaseID.database; if (db.equals("CHID")){ String id = databaseID.ID; String casToAdd = parsedCASnumbers.get(id); if (casToAdd!=null){ newID = new DatabaseID("CAS", casToAdd); } } } if (newID!=null) ontology.setDatabaseIDForConcept(concept.getID(), newID); } return ontology; } }