/************************************************************************* * * * This file is part of the 20n/act project. * * 20n/act enables DNA prediction for synthetic biology/bioengineering. * * Copyright (C) 2017 20n Labs, Inc. * * * * Please direct all queries to act@20n.com. * * * * This program is free software: you can redistribute it and/or modify * * it under the terms of the GNU 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 General Public License for more details. * * * * You should have received a copy of the GNU General Public License * * along with this program. If not, see <http://www.gnu.org/licenses/>. * * * *************************************************************************/ package com.act.biointerpretation.mechanisminspection; import act.server.NoSQLAPI; import act.shared.Reaction; import com.fasterxml.jackson.annotation.JsonProperty; import com.fasterxml.jackson.databind.ObjectMapper; import java.io.File; import java.io.IOException; import java.io.InputStream; import java.util.HashSet; import java.util.List; import java.util.Set; public class LabelledReactionsCorpus { private static final String VALIDATED_REACTIONS_FILE_PATH = "validated_reactions.json"; private static final ObjectMapper OBJECT_MAPPER = new ObjectMapper(); private final Class INSTANCE_CLASS_LOADER = getClass(); private NoSQLAPI api; @JsonProperty("labelled_reactions") private List<LabelledReaction> labelledReactions; public List<LabelledReaction> getLabelledReactions() { return labelledReactions; } public LabelledReactionsCorpus(NoSQLAPI api) { this.api = api; } // This default constructor is needed to jackson deserialization of the corpus. public LabelledReactionsCorpus() {} public void setLabelledReactions(List<LabelledReaction> labelledReactions) { this.labelledReactions = labelledReactions; } public void loadCorpus() throws IOException { InputStream validatedReactionsStream = INSTANCE_CLASS_LOADER.getResourceAsStream(VALIDATED_REACTIONS_FILE_PATH); LabelledReactionsCorpus labelledReactionsCorpus = OBJECT_MAPPER.readValue(validatedReactionsStream, LabelledReactionsCorpus.class); this.setLabelledReactions(labelledReactionsCorpus.getLabelledReactions()); } public boolean checkIfReactionIsLabelled(Reaction reaction) { Set<String> rxnSubstrates = new HashSet<>(); for (Long id : reaction.getSubstrates()) { rxnSubstrates.add(this.api.readChemicalFromInKnowledgeGraph(id).getInChI()); } Set<String> rxnProducts = new HashSet<>(); for (Long id : reaction.getProducts()) { rxnProducts.add(this.api.readChemicalFromInKnowledgeGraph(id).getInChI()); } for (LabelledReaction labelledReaction : this.labelledReactions) { if (labelledReaction.getEcnum().equals(reaction.getECNum()) && labelledReaction.getEasy_desc().equals(reaction.getReactionName()) && labelledReaction.getProducts().equals(rxnProducts) && labelledReaction.getSubstrates().equals(rxnSubstrates)) { return true; } } return false; } }