/************************************************************************* * * * 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.l2expansion; import chemaxon.struc.Molecule; import com.act.biointerpretation.sars.CharacterizedGroup; import com.act.biointerpretation.sars.Sar; import com.act.biointerpretation.sars.SerializableReactor; import org.apache.logging.log4j.LogManager; import org.apache.logging.log4j.Logger; import java.util.ArrayList; import java.util.Arrays; import java.util.List; public class SingleSubstrateSarExpander extends L2Expander { private static final Logger LOGGER = LogManager.getFormatterLogger(SingleSubstrateSarExpander.class); final Iterable<CharacterizedGroup> sarGroups; final Iterable<Molecule> substrates; public SingleSubstrateSarExpander(Iterable<CharacterizedGroup> sarGroups, Iterable<Molecule> substrates, PredictionGenerator generator) { super(generator); this.sarGroups = sarGroups; this.substrates = substrates; } @Override public Iterable<PredictionSeed> getPredictionSeeds() { List<PredictionSeed> result = new ArrayList<>(); for (CharacterizedGroup sarGroup : sarGroups) { List<Sar> sars = sarGroup.getSars(); SerializableReactor reactor = sarGroup.getReactor(); for (Molecule mol : substrates) { List<Molecule> singleSubstrateContainer = Arrays.asList(mol); result.add(new PredictionSeed(sarGroup.getGroupName(), singleSubstrateContainer, reactor, sars)); } } return result; } }