/************************************************************************* * * * 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.cofactorremoval; import act.server.NoSQLAPI; import act.shared.Reaction; import com.act.biointerpretation.desalting.ReactionDesalter; import com.act.lcms.db.io.LoadPlateCompositionIntoDB; import org.apache.commons.cli.CommandLine; import org.apache.commons.cli.CommandLineParser; import org.apache.commons.cli.DefaultParser; import org.apache.commons.cli.HelpFormatter; import org.apache.commons.cli.Option; import org.apache.commons.cli.Options; import org.apache.commons.cli.ParseException; import org.apache.commons.lang3.StringUtils; import org.apache.commons.lang3.tuple.Pair; import org.apache.logging.log4j.LogManager; import org.apache.logging.log4j.Logger; import java.util.ArrayList; import java.util.List; public class ReactionCofactorRemover { private static final Logger LOGGER = LogManager.getFormatterLogger(ReactionCofactorRemover.class); public static final String OPTION_READ_DB = "d"; public static final String OPTION_RXN_ID = "r"; public static final String HELP_MESSAGE = StringUtils.join(new String[]{ "This class removes cofactors from a single reaction and prints the results to stdout. ", "To remove cofactors from an entire installer DB, use BiointerpretationDriver." }, ""); public static final List<Option.Builder> OPTION_BUILDERS = new ArrayList<Option.Builder>() {{ add(Option.builder(OPTION_READ_DB) .argName("read db name") .desc("The name of the read DB to use") .hasArg().required() .longOpt("db") ); add(Option.builder(OPTION_RXN_ID) .argName("id") .desc("The id of the reaction from which to remove cofactors") .hasArg().required() .longOpt("id") ); add(Option.builder("h") .argName("help") .desc("Prints this help message") .longOpt("help") ); }}; public static final HelpFormatter HELP_FORMATTER = new HelpFormatter(); static { HELP_FORMATTER.setWidth(100); } public static void main(String[] args) throws Exception { Options opts = new Options(); for (Option.Builder b : OPTION_BUILDERS) { opts.addOption(b.build()); } CommandLine cl = null; try { CommandLineParser parser = new DefaultParser(); cl = parser.parse(opts, args); } catch (ParseException e) { System.err.format("Argument parsing failed: %s\n", e.getMessage()); HELP_FORMATTER.printHelp(LoadPlateCompositionIntoDB.class.getCanonicalName(), HELP_MESSAGE, opts, null, true); System.exit(1); } if (cl.hasOption("help")) { HELP_FORMATTER.printHelp(ReactionDesalter.class.getCanonicalName(), HELP_MESSAGE, opts, null, true); return; } NoSQLAPI api = new NoSQLAPI(cl.getOptionValue(OPTION_READ_DB), cl.getOptionValue(OPTION_READ_DB)); CofactorRemover cofactorRemover = new CofactorRemover(api); cofactorRemover.init(); Pair<Reaction, Reaction> results = cofactorRemover.removeCofactorsFromOneReaction( Long.parseLong(cl.getOptionValue(OPTION_RXN_ID))); System.out.format("Reaction before processing:\n"); printReport(results.getLeft()); System.out.println(); System.out.format("Reaction after processing:\n"); printReport(results.getRight()); System.out.println(); } private static void printReport(Reaction rxn) { System.out.format("Reaction before processing:\n"); System.out.format(" Substrates: %s\n", StringUtils.join(rxn.getSubstrates(), ", ")); System.out.format(" Products: %s\n", StringUtils.join(rxn.getProducts(), ", ")); System.out.format(" Sub. cofactors: %s\n", StringUtils.join(rxn.getSubstrateCofactors(), ", ")); System.out.format(" Prod. cofactors: %s\n", StringUtils.join(rxn.getProductCofactors(), ", ")); System.out.format(" Coenzymes: %s\n", StringUtils.join(rxn.getCoenzymes(), ", ")); } }