/************************************************************************* * * * 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.analysis; import com.act.lcms.db.io.report.IonAnalysisInterchangeModel; import org.apache.commons.lang3.tuple.Pair; import java.util.Set; public class HitOrMissSingleSampleFilterAndTransformer extends HitOrMissFilterAndTransformer<IonAnalysisInterchangeModel.HitOrMiss> { private Double minIntensityThreshold; private Double minSnrThreshold; private Double minTimeThreshold; private Set<String> ions; public HitOrMissSingleSampleFilterAndTransformer(Double minIntensityThreshold, Double minSnrThreshold, Double minTimeThreshold, Set<String> ions) { this.minIntensityThreshold = minIntensityThreshold; this.minSnrThreshold = minSnrThreshold; this.minTimeThreshold = minTimeThreshold; this.ions = ions; } /** * This function takes in a HitOrMiss molecule and filters it based on metric thresholds. * @param replicate The molecule whose metric stats are being compared to the preset thresholds. * @return A pair of transformed HitOrMiss molecule and whether to save the result in the final model. */ public Pair<IonAnalysisInterchangeModel.HitOrMiss, Boolean> apply(IonAnalysisInterchangeModel.HitOrMiss replicate) { Double intensity = replicate.getIntensity(); Double snr = replicate.getSnr(); Double time = replicate.getTime(); String ion = replicate.getIon(); IonAnalysisInterchangeModel.HitOrMiss molecule = new IonAnalysisInterchangeModel.HitOrMiss( replicate.getInchi(), ion, snr, time, intensity, replicate.getPlot()); // If the intensity, snr and time pass the thresholds set AND the ion of the peak molecule is within the set of // ions we want extracted, we keep the molecule. Else, we throw it away. if (intensity > minIntensityThreshold && snr > minSnrThreshold && time > minTimeThreshold && (ions.size() == 0 || ions.contains(ion))) { return Pair.of(molecule, DO_NOT_THROW_OUT_MOLECULE); } else { return Pair.of(molecule, THROW_OUT_MOLECULE); } } }