Java tutorial
/************************************************************************* * * * 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.lcms.db.io; import com.act.lcms.db.model.ChemicalAssociatedWithPathway; import com.act.lcms.db.model.LCMSWell; import com.act.lcms.db.model.Plate; import com.act.lcms.db.model.PlateWell; import com.act.lcms.db.model.ScanFile; import com.act.lcms.db.model.StandardWell; 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 java.io.File; import java.util.ArrayList; import java.util.Arrays; import java.util.Collections; import java.util.Comparator; import java.util.HashMap; import java.util.HashSet; import java.util.List; import java.util.Map; import java.util.Set; public class PrintConstructInfo { public static final String OPTION_DIRECTORY = "d"; public static final String OPTION_CONSTRUCT = "c"; public static final String HELP_MESSAGE = StringUtils .join(new String[] { "Prints information about a construct's composition and plate location." }, ""); public static final HelpFormatter HELP_FORMATTER = new HelpFormatter(); static { HELP_FORMATTER.setWidth(100); } public static final List<Option.Builder> OPTION_BUILDERS = new ArrayList<Option.Builder>() { { add(Option.builder(OPTION_DIRECTORY).argName("directory") .desc("The directory where LCMS analysis results live").hasArg().required() .longOpt("data-dir")); add(Option.builder(OPTION_CONSTRUCT).argName("construct id") .desc("A construct whose data to search for").hasArg().required().longOpt("construct")); // Everybody needs a little help from their friends. add(Option.builder("h").argName("help").desc("Prints this help message").longOpt("help")); } }; static { // Add DB connection options. OPTION_BUILDERS.addAll(DB.DB_OPTION_BUILDERS); } 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(LoadPlateCompositionIntoDB.class.getCanonicalName(), HELP_MESSAGE, opts, null, true); return; } File lcmsDir = new File(cl.getOptionValue(OPTION_DIRECTORY)); if (!lcmsDir.isDirectory()) { System.err.format("File at %s is not a directory\n", lcmsDir.getAbsolutePath()); HELP_FORMATTER.printHelp(LoadPlateCompositionIntoDB.class.getCanonicalName(), HELP_MESSAGE, opts, null, true); System.exit(1); } try (DB db = DB.openDBFromCLI(cl)) { System.out.print("Loading/updating LCMS scan files into DB\n"); ScanFile.insertOrUpdateScanFilesInDirectory(db, lcmsDir); String construct = cl.getOptionValue(OPTION_CONSTRUCT); List<LCMSWell> lcmsWells = LCMSWell.getInstance().getByConstructID(db, construct); Collections.sort(lcmsWells, new Comparator<LCMSWell>() { @Override public int compare(LCMSWell o1, LCMSWell o2) { return o1.getId().compareTo(o2.getId()); } }); Set<String> uniqueMSIDs = new HashSet<>(); Map<Integer, Plate> platesById = new HashMap<>(); System.out.format("\n\n-- Construct %s --\n\n", construct); List<ChemicalAssociatedWithPathway> pathwayChems = ChemicalAssociatedWithPathway.getInstance() .getChemicalsAssociatedWithPathwayByConstructId(db, construct); System.out.print("Chemicals associated with pathway:\n"); System.out.format(" %-8s%-15s%-45s\n", "index", "kind", "chemical"); for (ChemicalAssociatedWithPathway chem : pathwayChems) { System.out.format(" %-8d%-15s%-45s\n", chem.getIndex(), chem.getKind(), chem.getChemical()); } System.out.print("\nLCMS wells:\n"); System.out.format(" %-15s%-6s%-15s%-15s%-15s\n", "barcode", "well", "msid", "fed", "lcms_count"); for (LCMSWell well : lcmsWells) { uniqueMSIDs.add(well.getMsid()); Plate p = platesById.get(well.getPlateId()); if (p == null) { // TODO: migrate Plate to be a subclass of BaseDBModel. p = Plate.getPlateById(db, well.getPlateId()); platesById.put(p.getId(), p); } String chem = well.getChemical(); List<ScanFile> scanFiles = ScanFile.getScanFileByPlateIDRowAndColumn(db, p.getId(), well.getPlateRow(), well.getPlateColumn()); System.out.format(" %-15s%-6s%-15s%-15s%-15d\n", p.getBarcode(), well.getCoordinatesString(), well.getMsid(), chem == null || chem.isEmpty() ? "--" : chem, scanFiles.size()); System.out.flush(); } List<Integer> plateIds = Arrays.asList(platesById.keySet().toArray(new Integer[platesById.size()])); Collections.sort(plateIds); System.out.print("\nAppears in plates:\n"); for (Integer id : plateIds) { Plate p = platesById.get(id); System.out.format(" %s: %s\n", p.getBarcode(), p.getName()); } List<String> msids = Arrays.asList(uniqueMSIDs.toArray(new String[uniqueMSIDs.size()])); Collections.sort(msids); System.out.format("\nMSIDS: %s\n", StringUtils.join(msids, ", ")); Set<String> availableNegativeControls = new HashSet<>(); for (Map.Entry<Integer, Plate> entry : platesById.entrySet()) { List<LCMSWell> wells = LCMSWell.getInstance().getByPlateId(db, entry.getKey()); for (LCMSWell well : wells) { if (!construct.equals(well.getComposition())) { availableNegativeControls.add(well.getComposition()); } } } // Print available standards for each step w/ plate barcodes and coordinates. System.out.format("\nAvailable Standards:\n"); Map<Integer, Plate> plateCache = new HashMap<>(); for (ChemicalAssociatedWithPathway chem : pathwayChems) { List<StandardWell> matchingWells = StandardWell.getInstance().getStandardWellsByChemical(db, chem.getChemical()); for (StandardWell well : matchingWells) { if (!plateCache.containsKey(well.getPlateId())) { Plate p = Plate.getPlateById(db, well.getPlateId()); plateCache.put(p.getId(), p); } } Map<Integer, List<StandardWell>> standardWellsByPlateId = new HashMap<>(); for (StandardWell well : matchingWells) { List<StandardWell> plateWells = standardWellsByPlateId.get(well.getPlateId()); if (plateWells == null) { plateWells = new ArrayList<>(); standardWellsByPlateId.put(well.getPlateId(), plateWells); } plateWells.add(well); } List<Pair<String, Integer>> plateBarcodes = new ArrayList<>(plateCache.size()); for (Plate p : plateCache.values()) { if (p.getBarcode() == null) { plateBarcodes.add(Pair.of("(no barcode)", p.getId())); } else { plateBarcodes.add(Pair.of(p.getBarcode(), p.getId())); } } Collections.sort(plateBarcodes); System.out.format(" %s:\n", chem.getChemical()); for (Pair<String, Integer> barcodePair : plateBarcodes) { // TODO: hoist this whole sorting/translation step into a utility class. List<StandardWell> wells = standardWellsByPlateId.get(barcodePair.getRight()); if (wells == null) { // Don't print plates that don't apply to this chemical, which can happen because we're caching the plates. continue; } Collections.sort(wells, new Comparator<StandardWell>() { @Override public int compare(StandardWell o1, StandardWell o2) { int c = o1.getPlateRow().compareTo(o2.getPlateRow()); if (c != 0) return c; return o1.getPlateColumn().compareTo(o2.getPlateColumn()); } }); List<String> descriptions = new ArrayList<>(wells.size()); for (StandardWell well : wells) { descriptions.add(String.format("%s in %s%s", well.getCoordinatesString(), well.getMedia(), well.getConcentration() == null ? "" : String.format(" c. %f", well.getConcentration()))); } System.out.format(" %s: %s\n", barcodePair.getLeft(), StringUtils.join(descriptions, ", ")); } } List<String> negativeControlStrains = Arrays .asList(availableNegativeControls.toArray(new String[availableNegativeControls.size()])); Collections.sort(negativeControlStrains); System.out.format("\nAvailable negative controls: %s\n", StringUtils.join(negativeControlStrains, ",")); System.out.print("\n----------\n"); System.out.print("\n\n"); } } }