/* * Copyright 2006-2016 The MZmine 3 Development Team * * This file is part of MZmine 3. * * MZmine 3 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 2 of the * License, or (at your option) any later version. * * MZmine 3 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 MZmine 3; if not, * write to the Free Software Foundation, Inc., 51 Franklin St, Fifth Floor, Boston, MA 02110-1301 * USA */ package io.github.mzmine.modules.identification.ms.localdatabasesearch; import java.util.Arrays; import io.github.msdk.util.tolerances.MaximumMzTolerance; import io.github.msdk.util.tolerances.RTTolerance; import io.github.mzmine.parameters.ParameterSet; import io.github.mzmine.parameters.ParameterValidator; import io.github.mzmine.parameters.parametertypes.StringParameter; import io.github.mzmine.parameters.parametertypes.TextAreaParameter; import io.github.mzmine.parameters.parametertypes.selectors.FeatureTablesParameter; import io.github.mzmine.parameters.parametertypes.tolerances.MZToleranceParameter; import io.github.mzmine.parameters.parametertypes.tolerances.RTToleranceParameter; import javafx.stage.FileChooser.ExtensionFilter; public class LocalDatabaseSearchParameters extends ParameterSet { public static final FeatureTablesParameter featureTables = new FeatureTablesParameter(); private static final ExtensionFilter filters[] = new ExtensionFilter[] {new ExtensionFilter("All supported files", "*.csv", "*.txt"), new ExtensionFilter("CSV files", "*.csv"), new ExtensionFilter("TXT files", "*.txt")}; public static final TextAreaParameter annotations = new TextAreaParameter("Annotations", "Annotated features to use for identification. Any line not starting with a number will be ignored.\n" + "The following input formats are accepted:\n" + "id, m/z, retention time, compound name\n" + "id, m/z, retention time, compound name, formula\n" + "id, m/z, retention time, compound name, formula, adduct\n\n" + "Optional columns are supported but have to be present after the adduct column.", "Features", ParameterValidator.createNonEmptyValidator(), Arrays.asList(filters)); public static final StringParameter separator = new StringParameter("Field separator", "Character(s) used to separate fields in the feature list", "Features", ParameterValidator.createNonEmptyValidator(), ","); public static final MZToleranceParameter mzTolerance = new MZToleranceParameter("m/z tolerance", "Maximum allowed difference between two m/z values to be considered same.\n" + "The value is specified both as absolute tolerance (in m/z) and relative tolerance (in ppm).\n" + "The tolerance range is calculated using maximum of the absolute and relative tolerances.", "Algorithm Parameters", ParameterValidator.createNonEmptyValidator(), new MaximumMzTolerance(0.001, 5.0)); public static final RTToleranceParameter rtTolerance = new RTToleranceParameter("RT tolerance", "Maximum allowed retention time difference between the peak apex and the retention times in the above feature input list.", "Algorithm Parameters", ParameterValidator.createNonEmptyValidator(), new RTTolerance(10, true)); /** * Create the parameter set. */ public LocalDatabaseSearchParameters() { super(featureTables, annotations, separator, mzTolerance, rtTolerance); } }