/* * Copyright (c) 2003-2012 Fred Hutchinson Cancer Research Center * * Licensed under the Apache License, Version 2.0 (the "License"); * you may not use this file except in compliance with the License. * You may obtain a copy of the License at * * http://www.apache.org/licenses/LICENSE-2.0 * * Unless required by applicable law or agreed to in writing, software * distributed under the License is distributed on an "AS IS" BASIS, * WITHOUT WARRANTIES OR CONDITIONS OF ANY KIND, either express or implied. * See the License for the specific language governing permissions and * limitations under the License. */ package org.fhcrc.cpl.viewer.metabologna; import org.fhcrc.cpl.toolbox.chem.Adduct; import org.fhcrc.cpl.toolbox.chem.ChemicalFormula; import org.fhcrc.cpl.toolbox.chem.ChemicalModification; /** * Double the original formula and then add addFormula */ public class DoubleFormulaPlusSomethingMod implements ChemicalModification { protected String symbol; protected ChemicalFormula addFormula; protected String name; public DoubleFormulaPlusSomethingMod(ChemicalFormula addFormula, String symbol, String name) { this.symbol = symbol; this.addFormula = addFormula; this.name = name; } public void perform(Adduct adduct) { ChemicalFormula newFormula = new ChemicalFormula(adduct.getFormula()); newFormula.addFormula(adduct.getFormula()); newFormula.addFormula(addFormula); adduct.setFormula(newFormula); adduct.getModifications().add(this); } public boolean canPerform(Adduct adduct) { return true; } public String getSymbol() { return symbol; } public String getName() { return name; } }