/*************************************************************************
* *
* 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;
}
}